Peptide-Protein Interaction Studies of Antimicrobial Peptides Targeting Middle East Respiratory Syndrome Coronavirus Spike Protein: An In Silico Approach
Identifieur interne : 000A29 ( Pmc/Curation ); précédent : 000A28; suivant : 000A30Peptide-Protein Interaction Studies of Antimicrobial Peptides Targeting Middle East Respiratory Syndrome Coronavirus Spike Protein: An In Silico Approach
Auteurs : Sabeena Mustafa [Arabie saoudite] ; Hanan Balkhy [Arabie saoudite] ; Musa Gabere [Arabie saoudite]Source :
- Advances in Bioinformatics [ 1687-8027 ] ; 2019.
Abstract
There is no effective therapeutic or vaccine for Middle East Respiratory Syndrome and this study attempts to find therapy using peptide by establishing a basis for the peptide-protein interactions through in silico docking studies for the spike protein of MERS-CoV. The antimicrobial peptides (AMPs) were retrieved from the antimicrobial peptide database (APD3) and shortlisted based on certain important physicochemical properties. The binding mode of the shortlisted peptides was measured based on the number of clusters which forms in a protein-peptide docking using Piper. As a result, we identified a list of putative AMPs which binds to the spike protein of MERS-CoV, which may be crucial in providing the inhibitory action. It is observed that seven putative peptides have good binding score based on cluster size cutoff of 208. We conclude that seven peptides, namely, AP00225, AP00180, AP00549, AP00744, AP00729, AP00764, and AP00223, could possibly have binding with the active site of the MERS-CoV spike protein. These seven AMPs could serve as a therapeutic option for MERS and enhance its treatment outcome.
Url:
DOI: 10.1155/2019/6815105
PubMed: 31354813
PubMed Central: 6634063
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Peptide-Protein Interaction Studies of Antimicrobial Peptides Targeting Middle East Respiratory Syndrome Coronavirus Spike Protein: An In Silico Approach</title><author><name sortKey="Mustafa, Sabeena" sort="Mustafa, Sabeena" uniqKey="Mustafa S" first="Sabeena" last="Mustafa">Sabeena Mustafa</name><affiliation wicri:level="1"><nlm:aff id="I1">Department of Biostatistics and Bioinformatics, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh, Saudi Arabia</nlm:aff><country xml:lang="fr">Arabie saoudite</country><wicri:regionArea>Department of Biostatistics and Bioinformatics, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh</wicri:regionArea></affiliation></author><author><name sortKey="Balkhy, Hanan" sort="Balkhy, Hanan" uniqKey="Balkhy H" first="Hanan" last="Balkhy">Hanan Balkhy</name><affiliation wicri:level="1"><nlm:aff id="I2">Infection Prevention and Control Department at the Ministry of National Guard, Department of Infectious Diseases, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh, Saudi Arabia</nlm:aff><country xml:lang="fr">Arabie saoudite</country><wicri:regionArea>Infection Prevention and Control Department at the Ministry of National Guard, Department of Infectious Diseases, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh</wicri:regionArea></affiliation></author><author><name sortKey="Gabere, Musa" sort="Gabere, Musa" uniqKey="Gabere M" first="Musa" last="Gabere">Musa Gabere</name><affiliation wicri:level="1"><nlm:aff id="I1">Department of Biostatistics and Bioinformatics, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh, Saudi Arabia</nlm:aff><country xml:lang="fr">Arabie saoudite</country><wicri:regionArea>Department of Biostatistics and Bioinformatics, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">31354813</idno><idno type="pmc">6634063</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6634063</idno><idno type="RBID">PMC:6634063</idno><idno type="doi">10.1155/2019/6815105</idno><date when="2019">2019</date><idno type="wicri:Area/Pmc/Corpus">000A29</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000A29</idno><idno type="wicri:Area/Pmc/Curation">000A29</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000A29</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Peptide-Protein Interaction Studies of Antimicrobial Peptides Targeting Middle East Respiratory Syndrome Coronavirus Spike Protein: An In Silico Approach</title><author><name sortKey="Mustafa, Sabeena" sort="Mustafa, Sabeena" uniqKey="Mustafa S" first="Sabeena" last="Mustafa">Sabeena Mustafa</name><affiliation wicri:level="1"><nlm:aff id="I1">Department of Biostatistics and Bioinformatics, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh, Saudi Arabia</nlm:aff><country xml:lang="fr">Arabie saoudite</country><wicri:regionArea>Department of Biostatistics and Bioinformatics, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh</wicri:regionArea></affiliation></author><author><name sortKey="Balkhy, Hanan" sort="Balkhy, Hanan" uniqKey="Balkhy H" first="Hanan" last="Balkhy">Hanan Balkhy</name><affiliation wicri:level="1"><nlm:aff id="I2">Infection Prevention and Control Department at the Ministry of National Guard, Department of Infectious Diseases, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh, Saudi Arabia</nlm:aff><country xml:lang="fr">Arabie saoudite</country><wicri:regionArea>Infection Prevention and Control Department at the Ministry of National Guard, Department of Infectious Diseases, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh</wicri:regionArea></affiliation></author><author><name sortKey="Gabere, Musa" sort="Gabere, Musa" uniqKey="Gabere M" first="Musa" last="Gabere">Musa Gabere</name><affiliation wicri:level="1"><nlm:aff id="I1">Department of Biostatistics and Bioinformatics, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh, Saudi Arabia</nlm:aff><country xml:lang="fr">Arabie saoudite</country><wicri:regionArea>Department of Biostatistics and Bioinformatics, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh</wicri:regionArea></affiliation></author></analytic><series><title level="j">Advances in Bioinformatics</title><idno type="ISSN">1687-8027</idno><idno type="eISSN">1687-8035</idno><imprint><date when="2019">2019</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>There is no effective therapeutic or vaccine for Middle East Respiratory Syndrome and this study attempts to find therapy using peptide by establishing a basis for the peptide-protein interactions through in silico docking studies for the spike protein of MERS-CoV. The antimicrobial peptides (AMPs) were retrieved from the antimicrobial peptide database (APD3) and shortlisted based on certain important physicochemical properties. The binding mode of the shortlisted peptides was measured based on the number of clusters which forms in a protein-peptide docking using Piper. As a result, we identified a list of putative AMPs which binds to the spike protein of MERS-CoV, which may be crucial in providing the inhibitory action. It is observed that seven putative peptides have good binding score based on cluster size cutoff of 208. We conclude that seven peptides, namely, AP00225, AP00180, AP00549, AP00744, AP00729, AP00764, and AP00223, could possibly have binding with the active site of the MERS-CoV spike protein. 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<front><journal-meta><journal-id journal-id-type="nlm-ta">Adv Bioinformatics</journal-id><journal-id journal-id-type="iso-abbrev">Adv Bioinformatics</journal-id><journal-id journal-id-type="publisher-id">ABI</journal-id><journal-title-group><journal-title>Advances in Bioinformatics</journal-title></journal-title-group><issn pub-type="ppub">1687-8027</issn><issn pub-type="epub">1687-8035</issn><publisher><publisher-name>Hindawi</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="pmid">31354813</article-id><article-id pub-id-type="pmc">6634063</article-id><article-id pub-id-type="doi">10.1155/2019/6815105</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group></article-categories><title-group><article-title>Peptide-Protein Interaction Studies of Antimicrobial Peptides Targeting Middle East Respiratory Syndrome Coronavirus Spike Protein: An In Silico Approach</article-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Mustafa</surname><given-names>Sabeena</given-names></name><xref ref-type="aff" rid="I1"><sup>1</sup></xref></contrib><contrib contrib-type="author"><name><surname>Balkhy</surname><given-names>Hanan</given-names></name><xref ref-type="aff" rid="I2"><sup>2</sup></xref></contrib><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid" authenticated="false">https://orcid.org/0000-0001-6773-9828</contrib-id><name><surname>Gabere</surname><given-names>Musa</given-names></name><email>mgabere@gmail.com</email><xref ref-type="aff" rid="I1"><sup>1</sup></xref></contrib></contrib-group><aff id="I1"><sup>1</sup>Department of Biostatistics and Bioinformatics, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh, Saudi Arabia</aff><aff id="I2"><sup>2</sup>Infection Prevention and Control Department at the Ministry of National Guard, Department of Infectious Diseases, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Riyadh, Saudi Arabia</aff><author-notes><fn fn-type="other"><p>Academic Editor: Nurit Haspel</p></fn></author-notes><pub-date pub-type="collection"><year>2019</year></pub-date><pub-date pub-type="epub"><day>1</day><month>7</month><year>2019</year></pub-date><volume>2019</volume><elocation-id>6815105</elocation-id><history><date date-type="received"><day>6</day><month>1</month><year>2019</year></date><date date-type="accepted"><day>8</day><month>5</month><year>2019</year></date></history><permissions><copyright-statement>Copyright © 2019 Sabeena Mustafa et al.</copyright-statement><copyright-year>2019</copyright-year><license xlink:href="https://creativecommons.org/licenses/by/4.0/"><license-p>This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.</license-p></license></permissions><abstract><p>There is no effective therapeutic or vaccine for Middle East Respiratory Syndrome and this study attempts to find therapy using peptide by establishing a basis for the peptide-protein interactions through in silico docking studies for the spike protein of MERS-CoV. The antimicrobial peptides (AMPs) were retrieved from the antimicrobial peptide database (APD3) and shortlisted based on certain important physicochemical properties. The binding mode of the shortlisted peptides was measured based on the number of clusters which forms in a protein-peptide docking using Piper. As a result, we identified a list of putative AMPs which binds to the spike protein of MERS-CoV, which may be crucial in providing the inhibitory action. It is observed that seven putative peptides have good binding score based on cluster size cutoff of 208. We conclude that seven peptides, namely, AP00225, AP00180, AP00549, AP00744, AP00729, AP00764, and AP00223, could possibly have binding with the active site of the MERS-CoV spike protein. These seven AMPs could serve as a therapeutic option for MERS and enhance its treatment outcome.</p></abstract><funding-group><award-group><funding-source>King Abdullah International Medical Research Center</funding-source><award-id>RC16/089</award-id></award-group></funding-group></article-meta></front><floats-group><fig id="fig1" orientation="portrait" position="float"><label>Figure 1</label><caption><p>The flowchart depicting the methodology employed in this study.</p></caption><graphic xlink:href="ABI2019-6815105.001"></graphic></fig><fig id="fig2" orientation="portrait" position="float"><label>Figure 2</label><caption><p>MERS-CoV spike (S) protein and its S2 regions which form a fusion core HR1 and HR2 are the heptad repeats 1 and 2 [<xref rid="B21" ref-type="bibr">39</xref>].</p></caption><graphic xlink:href="ABI2019-6815105.002"></graphic></fig><fig id="fig3" orientation="portrait" position="float"><label>Figure 3</label><caption><p>(a) Prefusion stage (PDB ID: 5X59) of the S protein and (b) S2 protein forms a six-helical bundle (6-HB) during postfusion stage (PDB ID: 4NJL.</p></caption><graphic xlink:href="ABI2019-6815105.003"></graphic></fig><fig id="fig4" orientation="portrait" position="float"><label>Figure 4</label><caption><p>Venn diagram showing common residues.</p></caption><graphic xlink:href="ABI2019-6815105.004"></graphic></fig><fig id="fig5" orientation="portrait" position="float"><label>Figure 5</label><caption><p>Possible interaction of receptor spike and ligands, namely, HR2P, AP00180, AP00225, and AP00744, which all bind to the spike protein in similar position.</p></caption><graphic xlink:href="ABI2019-6815105.005"></graphic></fig><fig id="fig6" orientation="portrait" position="float"><label>Figure 6</label><caption><p>Possible interaction of receptor spike and ligands, namely, P9 and AP00549, which all bind to the spike protein in similar position.</p></caption><graphic xlink:href="ABI2019-6815105.006"></graphic></fig><fig id="fig7" orientation="portrait" position="float"><label>Figure 7</label><caption><p>Possible interaction of receptor spike and ligands, namely, AP00179, AP00260, AP00340, AP02733, P9, and HR2P.</p></caption><graphic xlink:href="ABI2019-6815105.007"></graphic></fig><table-wrap id="tab1" content-type="sidewaystable" orientation="portrait" position="float"><label>Table 1</label><caption><p>The table shows the filtering of antimicrobial peptides from various sources based on length, WWIHS, iHMM, and net charge.</p></caption><table frame="hsides" rules="groups"><thead><tr><th align="left" rowspan="1" colspan="1">S.No </th><th align="center" rowspan="1" colspan="1"> Peptide </th><th align="center" rowspan="1" colspan="1">APD3 ID </th><th align="center" rowspan="1" colspan="1">Definition </th><th align="center" rowspan="1" colspan="1">Length</th><th align="center" rowspan="1" colspan="1">WWIHS </th><th align="center" rowspan="1" colspan="1">iHHM </th><th align="center" rowspan="1" colspan="1">Net charge </th></tr></thead><tbody><tr><td align="left" rowspan="1" colspan="1">1</td><td align="center" rowspan="1" colspan="1"> KTCENLADTFRGPCFATSNC</td><td align="center" rowspan="1" colspan="1">AP00532</td><td align="center" rowspan="1" colspan="1">Lunatusin</td><td align="center" rowspan="1" colspan="1">20</td><td align="center" rowspan="1" colspan="1">1.8</td><td align="center" rowspan="1" colspan="1">2.62</td><td align="center" rowspan="1" colspan="1"> 0</td></tr><tr><td align="left" rowspan="1" colspan="1">2</td><td align="center" rowspan="1" colspan="1"> GLFVGVLAKVAAHVVPAIAEHF</td><td align="center" rowspan="1" colspan="1">AP00260</td><td align="center" rowspan="1" colspan="1"> Maculatin 1.1</td><td align="center" rowspan="1" colspan="1"> 22</td><td align="center" rowspan="1" colspan="1"> 1.29</td><td align="center" rowspan="1" colspan="1"> 3.26</td><td align="center" rowspan="1" colspan="1"> 1</td></tr><tr><td align="left" rowspan="1" colspan="1">3</td><td align="center" rowspan="1" colspan="1"> GIGKFLHSAGKFGKAFVGEIMKS</td><td align="center" rowspan="1" colspan="1">AP00771</td><td align="center" rowspan="1" colspan="1"> Magainin 1</td><td align="center" rowspan="1" colspan="1"> 23</td><td align="center" rowspan="1" colspan="1"> 1.34</td><td align="center" rowspan="1" colspan="1"> 7.19</td><td align="center" rowspan="1" colspan="1"> 3</td></tr><tr><td align="left" rowspan="1" colspan="1">4</td><td align="center" rowspan="1" colspan="1"> GIGKFLHSAKKFGKAFVGEIMNS</td><td align="center" rowspan="1" colspan="1">AP00144</td><td align="center" rowspan="1" colspan="1">Magainin 2</td><td align="center" rowspan="1" colspan="1"> 23</td><td align="center" rowspan="1" colspan="1"> 0.93</td><td align="center" rowspan="1" colspan="1"> 7.1</td><td align="center" rowspan="1" colspan="1"> 3</td></tr><tr><td align="left" rowspan="1" colspan="1">5</td><td align="center" rowspan="1" colspan="1"> GEGFLGMLLHGVGHAIHGLIHGK</td><td align="center" rowspan="1" colspan="1">AP02663</td><td align="center" rowspan="1" colspan="1">Piscidins</td><td align="center" rowspan="1" colspan="1"> 23</td><td align="center" rowspan="1" colspan="1"> 1.26</td><td align="center" rowspan="1" colspan="1"> 4.72</td><td align="center" rowspan="1" colspan="1"> 0</td></tr><tr><td align="left" rowspan="1" colspan="1">6</td><td align="center" rowspan="1" colspan="1"> GLRSKIWLWVLLMIWQESNKFKKM</td><td align="center" rowspan="1" colspan="1">AP00764</td><td align="center" rowspan="1" colspan="1"> Dermaseptin-S9</td><td align="center" rowspan="1" colspan="1"> 24</td><td align="center" rowspan="1" colspan="1"> 6.07</td><td align="center" rowspan="1" colspan="1"> 2.95</td><td align="center" rowspan="1" colspan="1"> 4</td></tr><tr><td align="left" rowspan="1" colspan="1">7</td><td align="center" rowspan="1" colspan="1"> FLPVLAGIAAKVVPALFCKITKKC</td><td align="center" rowspan="1" colspan="1">AP00074</td><td align="center" rowspan="1" colspan="1">Brevinin-1</td><td align="center" rowspan="1" colspan="1"> 24</td><td align="center" rowspan="1" colspan="1"> 1.31</td><td align="center" rowspan="1" colspan="1"> 3.48</td><td align="center" rowspan="1" colspan="1"> 4</td></tr><tr><td align="left" rowspan="1" colspan="1">8</td><td align="center" rowspan="1" colspan="1"> GWGSFFKKAAHVGKHVGKAALTHYL</td><td align="center" rowspan="1" colspan="1">AP00166</td><td align="center" rowspan="1" colspan="1">Pleurocidin</td><td align="center" rowspan="1" colspan="1"> 25</td><td align="center" rowspan="1" colspan="1"> 0.37</td><td align="center" rowspan="1" colspan="1"> 7.49</td><td align="center" rowspan="1" colspan="1"> 4</td></tr><tr><td align="left" rowspan="1" colspan="1">9</td><td align="center" rowspan="1" colspan="1"> FFGWLIRGAIHAGKAIHGLIHRRRH</td><td align="center" rowspan="1" colspan="1">AP00340</td><td align="center" rowspan="1" colspan="1">Chrysophsin-2</td><td align="center" rowspan="1" colspan="1"> 25</td><td align="center" rowspan="1" colspan="1"> 0.02</td><td align="center" rowspan="1" colspan="1"> 5.97</td><td align="center" rowspan="1" colspan="1"> 0</td></tr><tr><td align="left" rowspan="1" colspan="1">10</td><td align="center" rowspan="1" colspan="1"> ALWMTLLKKVLKAAAKAALNAVLVGANA</td><td align="center" rowspan="1" colspan="1">AP00160</td><td align="center" rowspan="1" colspan="1">Dermaseptin-S4</td><td align="center" rowspan="1" colspan="1"> 28</td><td align="center" rowspan="1" colspan="1"> 0.92</td><td align="center" rowspan="1" colspan="1"> 4.71</td><td align="center" rowspan="1" colspan="1"> 4</td></tr><tr><td align="left" rowspan="1" colspan="1">11</td><td align="center" rowspan="1" colspan="1"> GLPVCGETCVGGTCNTPGCTCSWPVCTRN</td><td align="center" rowspan="1" colspan="1">AP00729</td><td align="center" rowspan="1" colspan="1">Kalata B1</td><td align="center" rowspan="1" colspan="1"> 29</td><td align="center" rowspan="1" colspan="1"> 1.94</td><td align="center" rowspan="1" colspan="1"> 3.64</td><td align="center" rowspan="1" colspan="1"> 0</td></tr><tr><td align="left" rowspan="1" colspan="1">12</td><td align="center" rowspan="1" colspan="1"> GAFGNFLKGVAKKAGLKILSIAQCKLSGTC</td><td align="center" rowspan="1" colspan="1">AP01644</td><td align="center" rowspan="1" colspan="1">Brevinin-2-RN1</td><td align="center" rowspan="1" colspan="1"> 30</td><td align="center" rowspan="1" colspan="1"> 0.62</td><td align="center" rowspan="1" colspan="1"> 1.97</td><td align="center" rowspan="1" colspan="1"> 5</td></tr><tr><td align="left" rowspan="1" colspan="1">13</td><td align="center" rowspan="1" colspan="1"> GWFKKAWRKVKNAGRRVLKGVGIHYGVGLI</td><td align="center" rowspan="1" colspan="1">AP00692</td><td align="center" rowspan="1" colspan="1">Hagfish cathelicidin</td><td align="center" rowspan="1" colspan="1"> 30</td><td align="center" rowspan="1" colspan="1"> 0.24</td><td align="center" rowspan="1" colspan="1"> 6.41</td><td align="center" rowspan="1" colspan="1"> 8</td></tr><tr><td align="left" rowspan="1" colspan="1">14</td><td align="center" rowspan="1" colspan="1"> GSVLNCGETCLLGTCYTTGCTCNKYRVCTKD</td><td align="center" rowspan="1" colspan="1">AP00730</td><td align="center" rowspan="1" colspan="1">Kalata B8</td><td align="center" rowspan="1" colspan="1"> 31</td><td align="center" rowspan="1" colspan="1"> 2.47</td><td align="center" rowspan="1" colspan="1"> 2.06</td><td align="center" rowspan="1" colspan="1"> 1</td></tr><tr><td align="left" rowspan="1" colspan="1">15</td><td align="center" rowspan="1" colspan="1"> RRCICTTRTCRFPYRRLGTCIFQNRVYTFCC</td><td align="center" rowspan="1" colspan="1">AP00174</td><td align="center" rowspan="1" colspan="1">Guinea pig neutrophil</td><td align="center" rowspan="1" colspan="1"> 31</td><td align="center" rowspan="1" colspan="1"> 2.16</td><td align="center" rowspan="1" colspan="1"> 2.06</td><td align="center" rowspan="1" colspan="1"> 7</td></tr><tr><td align="left" rowspan="1" colspan="1">16</td><td align="center" rowspan="1" colspan="1"> ACYCRIGACVSGERLTGACGLNGRIYRLCCR</td><td align="center" rowspan="1" colspan="1">AP00225</td><td align="center" rowspan="1" colspan="1">RatNP-4 rat defensin,</td><td align="center" rowspan="1" colspan="1"> 31</td><td align="center" rowspan="1" colspan="1"> 2.43</td><td align="center" rowspan="1" colspan="1"> 2.58</td><td align="center" rowspan="1" colspan="1"> 4</td></tr><tr><td align="left" rowspan="1" colspan="1">17</td><td align="center" rowspan="1" colspan="1"> GVIPCGESCVFIPCISTLLGCSCKNKVCYRN</td><td align="center" rowspan="1" colspan="1">AP00275</td><td align="center" rowspan="1" colspan="1">Circulin B</td><td align="center" rowspan="1" colspan="1"> 31</td><td align="center" rowspan="1" colspan="1"> 2.44</td><td align="center" rowspan="1" colspan="1"> 3.23</td><td align="center" rowspan="1" colspan="1"> 2</td></tr><tr><td align="left" rowspan="1" colspan="1">18</td><td align="center" rowspan="1" colspan="1"> GVIPCGESCVFIPCISAAIGCSCKNKVCYRN</td><td align="center" rowspan="1" colspan="1">AP01022</td><td align="center" rowspan="1" colspan="1">Cycloviolin A</td><td align="center" rowspan="1" colspan="1"> 31</td><td align="center" rowspan="1" colspan="1"> 1.43</td><td align="center" rowspan="1" colspan="1"> 2.52</td><td align="center" rowspan="1" colspan="1"> 2</td></tr><tr><td align="left" rowspan="1" colspan="1">19</td><td align="center" rowspan="1" colspan="1"> KIPCGESCVWIPCVTSIFNCKCKENKVCYHD</td><td align="center" rowspan="1" colspan="1">AP01061</td><td align="center" rowspan="1" colspan="1">Circulin D</td><td align="center" rowspan="1" colspan="1"> 31</td><td align="center" rowspan="1" colspan="1"> 1.27</td><td align="center" rowspan="1" colspan="1"> 5.43</td><td align="center" rowspan="1" colspan="1"> 1</td></tr><tr><td align="left" rowspan="1" colspan="1">20</td><td align="center" rowspan="1" colspan="1"> GSIPACGESCFKGKCYTPGCSCSKYPLCAKN</td><td align="center" rowspan="1" colspan="1">AP01065</td><td align="center" rowspan="1" colspan="1">Cycloviolacin O14</td><td align="center" rowspan="1" colspan="1"> 31</td><td align="center" rowspan="1" colspan="1"> 0.73</td><td align="center" rowspan="1" colspan="1"> 1.48</td><td align="center" rowspan="1" colspan="1"> 3</td></tr><tr><td align="left" rowspan="1" colspan="1">21</td><td align="center" rowspan="1" colspan="1"> CGESCVFIPCITTVLGCSCSIKVCYKNGSIP</td><td align="center" rowspan="1" colspan="1">AP02571</td><td align="center" rowspan="1" colspan="1">Cycloviolacin VY1</td><td align="center" rowspan="1" colspan="1"> 31</td><td align="center" rowspan="1" colspan="1"> 3.15</td><td align="center" rowspan="1" colspan="1"> 2.77</td><td align="center" rowspan="1" colspan="1"> 1</td></tr><tr><td align="left" rowspan="1" colspan="1">22</td><td align="center" rowspan="1" colspan="1"> ATCYCRTGRCATRESLSGVCEISGRLYRLCCR</td><td align="center" rowspan="1" colspan="1">AP00180</td><td align="center" rowspan="1" colspan="1">Human defensin 5</td><td align="center" rowspan="1" colspan="1"> 32</td><td align="center" rowspan="1" colspan="1"> 1.39</td><td align="center" rowspan="1" colspan="1"> 3.83</td><td align="center" rowspan="1" colspan="1"> 4</td></tr><tr><td align="left" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1"> AFTCHCRRSCYSTEYSYGTCTVMGINHRFCCL</td><td align="center" rowspan="1" colspan="1">AP00181</td><td align="center" rowspan="1" colspan="1">Human defensin 6</td><td align="center" rowspan="1" colspan="1"> 32</td><td align="center" rowspan="1" colspan="1"> 3.82</td><td align="center" rowspan="1" colspan="1"> 2.56</td><td align="center" rowspan="1" colspan="1"> 2</td></tr><tr><td align="left" rowspan="1" colspan="1">24</td><td align="center" rowspan="1" colspan="1"> VTCYCRRTRCGFRERLSGACGYRGRIYRLCCR</td><td align="center" rowspan="1" colspan="1">AP00222</td><td align="center" rowspan="1" colspan="1">RatNP-1 rat defensin</td><td align="center" rowspan="1" colspan="1"> 32</td><td align="center" rowspan="1" colspan="1"> 1.02</td><td align="center" rowspan="1" colspan="1"> 4.29</td><td align="center" rowspan="1" colspan="1"> 8</td></tr><tr><td align="left" rowspan="1" colspan="1">25</td><td align="center" rowspan="1" colspan="1"> VTCYCRSTRCGFRERLSGACGYRGRIYRLCCR</td><td align="center" rowspan="1" colspan="1">AP00223</td><td align="center" rowspan="1" colspan="1">RatNP-2 rat defensin</td><td align="center" rowspan="1" colspan="1"> 32</td><td align="center" rowspan="1" colspan="1"> 1.7</td><td align="center" rowspan="1" colspan="1"> 4.01</td><td align="center" rowspan="1" colspan="1"> 7</td></tr><tr><td align="left" rowspan="1" colspan="1">26</td><td align="center" rowspan="1" colspan="1"> GFFALIPKIISSPLFKTLLSAVGSALSSSGEQE</td><td align="center" rowspan="1" colspan="1">AP00641</td><td align="center" rowspan="1" colspan="1">Pardaxin 1</td><td align="center" rowspan="1" colspan="1"> 33</td><td align="center" rowspan="1" colspan="1"> 4.19</td><td align="center" rowspan="1" colspan="1"> 0.2</td><td align="center" rowspan="1" colspan="1"> 0</td></tr><tr><td align="left" rowspan="1" colspan="1">27</td><td align="center" rowspan="1" colspan="1"> VCSCRLVFCRRTELRVGNCLIGGVSFTYCCTRV</td><td align="center" rowspan="1" colspan="1">AP00179</td><td align="center" rowspan="1" colspan="1">Human neutrophil peptide-4</td><td align="center" rowspan="1" colspan="1">33</td><td align="center" rowspan="1" colspan="1">3.28</td><td align="center" rowspan="1" colspan="1"> 1.54</td><td align="center" rowspan="1" colspan="1"> 4</td></tr><tr><td align="left" rowspan="1" colspan="1">28</td><td align="center" rowspan="1" colspan="1"> DFASCHTNGGICLPNRCPGHMIQIGICFRPRVKCCRSW</td><td align="center" rowspan="1" colspan="1">AP00036</td><td align="center" rowspan="1" colspan="1">Bovine beta-defensin 1</td><td align="center" rowspan="1" colspan="1">38</td><td align="center" rowspan="1" colspan="1"> 0.22</td><td align="center" rowspan="1" colspan="1"> 4.72</td><td align="center" rowspan="1" colspan="1"> 4</td></tr><tr><td align="left" rowspan="1" colspan="1">29</td><td align="center" rowspan="1" colspan="1"> GFGCNGPWDEDDMQCHNHCKSIKGYKGGYCAKGGFVCKCY</td><td align="center" rowspan="1" colspan="1">AP00549</td><td align="center" rowspan="1" colspan="1">Plectasin</td><td align="center" rowspan="1" colspan="1"> 40</td><td align="center" rowspan="1" colspan="1"> 2.11</td><td align="center" rowspan="1" colspan="1"> 3.67</td><td align="center" rowspan="1" colspan="1"> 1</td></tr><tr><td align="left" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1"> GLPQDCERRGGFCSHKSCPPGIGRIGLCSKEDFCCRSRWYS</td><td align="center" rowspan="1" colspan="1">AP00744</td><td align="center" rowspan="1" colspan="1">Chicken AvBD5</td><td align="center" rowspan="1" colspan="1"> 41</td><td align="center" rowspan="1" colspan="1"> 0.93</td><td align="center" rowspan="1" colspan="1"> 3.26</td><td align="center" rowspan="1" colspan="1"> 3</td></tr><tr><td align="left" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1"> SPIHACRYQRGVCIPGPCRWPYYRVGSCGSGLKSCCVRNRWA</td><td align="center" rowspan="1" colspan="1">AP00742</td><td align="center" rowspan="1" colspan="1">Chicken AvBD6</td><td align="center" rowspan="1" colspan="1">42</td><td align="center" rowspan="1" colspan="1"> 0.58</td><td align="center" rowspan="1" colspan="1"> 2.64</td><td align="center" rowspan="1" colspan="1"> 7</td></tr><tr><td align="left" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1"> KYYGNGVSCNKKGCSVDWGKAIGIIGNNSAANLATGGAAGWKS</td><td align="center" rowspan="1" colspan="1">AP00846</td><td align="center" rowspan="1" colspan="1">Mundticin KS</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1"> 0.83</td><td align="center" rowspan="1" colspan="1"> 2.1</td><td align="center" rowspan="1" colspan="1"> 4</td></tr><tr><td align="left" rowspan="1" colspan="1">33</td><td align="center" rowspan="1" colspan="1"> QEAQSVACTSYYCSKFCGSAGCSLYGCYLLHPGKICYCLHCSR</td><td align="center" rowspan="1" colspan="1">AP01788</td><td align="center" rowspan="1" colspan="1">Myticin C</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1"> 4.62</td><td align="center" rowspan="1" colspan="1"> 0.95</td><td align="center" rowspan="1" colspan="1"> 2</td></tr><tr><td align="left" rowspan="1" colspan="1">34</td><td align="center" rowspan="1" colspan="1"> VSFPWSCAALSGVCRQGACLPSELYFGPLGCGKGSLCCVSYFL</td><td align="center" rowspan="1" colspan="1">AP02830</td><td align="center" rowspan="1" colspan="1">Channel catfish beta defensin</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1">8.81</td><td align="center" rowspan="1" colspan="1">2.3</td><td align="center" rowspan="1" colspan="1"> 1</td></tr><tr><td align="left" rowspan="1" colspan="1">35</td><td align="center" rowspan="1" colspan="1"> KTCMTKKEGWGRCLIDTTCAHSCRKYGYMGGKCQGITRRCYCLLNC</td><td align="center" rowspan="1" colspan="1">AP01356</td><td align="center" rowspan="1" colspan="1">Cp-thionin II</td><td align="center" rowspan="1" colspan="1">46</td><td align="center" rowspan="1" colspan="1"> 0.39</td><td align="center" rowspan="1" colspan="1"> 2.59</td><td align="center" rowspan="1" colspan="1"> 7</td></tr><tr><td align="left" rowspan="1" colspan="1">36</td><td align="center" rowspan="1" colspan="1"> FFLLFLQGAAGNSVLCRIRGGRCHVGSCHFPERHIGRCSGFQACCIRTWG</td><td align="center" rowspan="1" colspan="1">AP02148</td><td align="center" rowspan="1" colspan="1">Apl-AvBD16</td><td align="center" rowspan="1" colspan="1">50</td><td align="center" rowspan="1" colspan="1">3.26</td><td align="center" rowspan="1" colspan="1"> 5.26</td><td align="center" rowspan="1" colspan="1"> 5</td></tr><tr><td align="left" rowspan="1" colspan="1">37</td><td align="center" rowspan="1" colspan="1"> LFGSVKAWFKGAKKGFQDYRYQKDMAKMNKRYGPNWQQRGGQEPPADAQANDQPP</td><td align="center" rowspan="1" colspan="1">AP02733</td><td align="center" rowspan="1" colspan="1">Piscidin 6</td><td align="center" rowspan="1" colspan="1">55</td><td align="center" rowspan="1" colspan="1">2.93</td><td align="center" rowspan="1" colspan="1"> 6.41</td><td align="center" rowspan="1" colspan="1"> 5</td></tr></tbody></table></table-wrap><table-wrap id="tab2" orientation="portrait" position="float"><label>Table 2</label><caption><p>Piper ranking of docked complex based on cluster size, where peptides with (<italic>∗</italic>) represent the experimentally validated against MERS-CoV and are considered as positive controls.</p></caption><table frame="hsides" rules="groups"><thead><tr><th align="left" rowspan="1" colspan="1">Rank </th><th align="center" rowspan="1" colspan="1"> Peptide</th><th align="center" rowspan="1" colspan="1"> Length </th><th align="center" rowspan="1" colspan="1"> Definition</th><th align="center" rowspan="1" colspan="1">Species </th><th align="center" rowspan="1" colspan="1">Cluster</th></tr></thead><tbody><tr><td align="left" rowspan="1" colspan="1"><italic>1 </italic></td><td align="center" rowspan="1" colspan="1"><italic> P9∗</italic></td><td align="center" rowspan="1" colspan="1"><italic>30 </italic></td><td align="center" rowspan="1" colspan="1"><italic>Mouse Beta-defensin </italic></td><td align="center" rowspan="1" colspan="1"><italic> Mouse </italic></td><td align="center" rowspan="1" colspan="1"><italic>328</italic></td></tr><tr><td align="left" rowspan="1" colspan="1">2</td><td align="center" rowspan="1" colspan="1"> AP00225</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">RatNP-4 (rat defensin)</td><td align="center" rowspan="1" colspan="1"> Rat</td><td align="center" rowspan="1" colspan="1"> 285</td></tr><tr><td align="left" rowspan="1" colspan="1">3</td><td align="center" rowspan="1" colspan="1"> AP00180</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">Human defensin 5 (alpha defensin)</td><td align="center" rowspan="1" colspan="1"> Human</td><td align="center" rowspan="1" colspan="1">277</td></tr><tr><td align="left" rowspan="1" colspan="1">4</td><td align="center" rowspan="1" colspan="1"> AP00549</td><td align="center" rowspan="1" colspan="1">40</td><td align="center" rowspan="1" colspan="1">Plectasin (fungal defensin)</td><td align="center" rowspan="1" colspan="1"> Fungus</td><td align="center" rowspan="1" colspan="1"> 270</td></tr><tr><td align="left" rowspan="1" colspan="1">5</td><td align="center" rowspan="1" colspan="1"> AP00744</td><td align="center" rowspan="1" colspan="1">41</td><td align="center" rowspan="1" colspan="1">AvBD-5, chicken avian beta defensin)</td><td align="center" rowspan="1" colspan="1"> Chicken</td><td align="center" rowspan="1" colspan="1">253</td></tr><tr><td align="left" rowspan="1" colspan="1">6</td><td align="center" rowspan="1" colspan="1"> AP00729</td><td align="center" rowspan="1" colspan="1">29</td><td align="center" rowspan="1" colspan="1">Kalata B1 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> 247</td></tr><tr><td align="left" rowspan="1" colspan="1">7</td><td align="center" rowspan="1" colspan="1"> AP00764</td><td align="center" rowspan="1" colspan="1">24</td><td align="center" rowspan="1" colspan="1">Dermaseptin-S9</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> 223</td></tr><tr><td align="left" rowspan="1" colspan="1">8</td><td align="center" rowspan="1" colspan="1"> AP00223</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">RatNP-2 (rat alpha defensin)</td><td align="center" rowspan="1" colspan="1"> Rat</td><td align="center" rowspan="1" colspan="1"> 219</td></tr><tr><td align="left" rowspan="1" colspan="1"><italic>9</italic></td><td align="center" rowspan="1" colspan="1"><italic> HR2P∗</italic></td><td align="center" rowspan="1" colspan="1"><italic>36 </italic></td><td align="center" rowspan="1" colspan="1"><italic>HR2 region of MERS-CoV </italic></td><td align="center" rowspan="1" colspan="1"><italic>Synthetic </italic></td><td align="center" rowspan="1" colspan="1"><italic>208</italic></td></tr><tr><td colspan="6" rowspan="1"><hr></hr></td></tr><tr><td align="left" rowspan="1" colspan="1">10</td><td align="center" rowspan="1" colspan="1"> AP00160</td><td align="center" rowspan="1" colspan="1">28</td><td align="center" rowspan="1" colspan="1">Dermaseptin-S4</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> 200</td></tr><tr><td align="left" rowspan="1" colspan="1">11</td><td align="center" rowspan="1" colspan="1"> AP00174</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Guinea pig neutrophil cationic peptide 1</td><td align="center" rowspan="1" colspan="1"> Guinea pig</td><td align="center" rowspan="1" colspan="1">193</td></tr><tr><td align="left" rowspan="1" colspan="1">12</td><td align="center" rowspan="1" colspan="1"> AP00730</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Kalata B8 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> 175</td></tr><tr><td align="left" rowspan="1" colspan="1">13</td><td align="center" rowspan="1" colspan="1"> AP00222</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">RatNP-1 (rat alpha defensin,)</td><td align="center" rowspan="1" colspan="1"> Rat</td><td align="center" rowspan="1" colspan="1"> 175</td></tr><tr><td align="left" rowspan="1" colspan="1">14</td><td align="center" rowspan="1" colspan="1"> AP02663</td><td align="center" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1">Piscidins</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> 171</td></tr><tr><td align="left" rowspan="1" colspan="1">15</td><td align="center" rowspan="1" colspan="1"> AP01061</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Circulin D (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> 163</td></tr><tr><td align="left" rowspan="1" colspan="1">16</td><td align="center" rowspan="1" colspan="1"> AP01356</td><td align="center" rowspan="1" colspan="1">46</td><td align="center" rowspan="1" colspan="1">Cp-thionin II</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> 160</td></tr><tr><td align="left" rowspan="1" colspan="1">17</td><td align="center" rowspan="1" colspan="1"> AP00532</td><td align="center" rowspan="1" colspan="1">20</td><td align="center" rowspan="1" colspan="1">Lunatusin</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> 157</td></tr><tr><td align="left" rowspan="1" colspan="1">18</td><td align="center" rowspan="1" colspan="1"> AP02571</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Cycloviolacin VY1 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> 155</td></tr><tr><td align="left" rowspan="1" colspan="1">19</td><td align="center" rowspan="1" colspan="1"> AP00692</td><td align="center" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1">HFIAP-3 (Hagfish cathelicidin)</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1">148</td></tr><tr><td align="left" rowspan="1" colspan="1">20</td><td align="center" rowspan="1" colspan="1"> AP00260</td><td align="center" rowspan="1" colspan="1">22</td><td align="center" rowspan="1" colspan="1">Maculatin 1.1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> 146</td></tr><tr><td align="left" rowspan="1" colspan="1">21</td><td align="center" rowspan="1" colspan="1"> AP02733</td><td align="center" rowspan="1" colspan="1">55</td><td align="center" rowspan="1" colspan="1">Piscidin</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> 144</td></tr><tr><td align="left" rowspan="1" colspan="1">22</td><td align="center" rowspan="1" colspan="1"> AP00275</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Circulin B (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> 143</td></tr><tr><td align="left" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1"> AP01644</td><td align="center" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1">Brevinin-2-RN1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> 143</td></tr><tr><td align="left" rowspan="1" colspan="1">24</td><td align="center" rowspan="1" colspan="1"> AP02148</td><td align="center" rowspan="1" colspan="1">50</td><td align="center" rowspan="1" colspan="1">Apl-AvBD16 (Beta def)</td><td align="center" rowspan="1" colspan="1"> Bird</td><td align="center" rowspan="1" colspan="1"> 139</td></tr><tr><td align="left" rowspan="1" colspan="1">25</td><td align="center" rowspan="1" colspan="1"> AP01065</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Cycloviolacin 014 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> 136</td></tr><tr><td align="left" rowspan="1" colspan="1">26</td><td align="center" rowspan="1" colspan="1"> AP01022</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Cycloviolin A (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> 134</td></tr><tr><td align="left" rowspan="1" colspan="1">27</td><td align="center" rowspan="1" colspan="1"> AP00036</td><td align="center" rowspan="1" colspan="1">38</td><td align="center" rowspan="1" colspan="1">Bovine Beta-defensin 1</td><td align="center" rowspan="1" colspan="1"> Bovine</td><td align="center" rowspan="1" colspan="1"> 127</td></tr><tr><td align="left" rowspan="1" colspan="1">28</td><td align="center" rowspan="1" colspan="1"> AP00074</td><td align="center" rowspan="1" colspan="1">24</td><td align="center" rowspan="1" colspan="1">Brevinin-1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> 120</td></tr><tr><td align="left" rowspan="1" colspan="1">29</td><td align="center" rowspan="1" colspan="1"> AP00340</td><td align="center" rowspan="1" colspan="1">25</td><td align="center" rowspan="1" colspan="1">Chrysophsin-2</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> 120</td></tr><tr><td align="left" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1"> AP00166</td><td align="center" rowspan="1" colspan="1">25</td><td align="center" rowspan="1" colspan="1">Pleurocidin</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> 118</td></tr><tr><td align="left" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1"> AP02830</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1">ccBD (Channel Catfish beta def)</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> 115</td></tr><tr><td align="left" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1"> AP00181</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">Human defensin 6</td><td align="center" rowspan="1" colspan="1"> Human</td><td align="center" rowspan="1" colspan="1"> 115</td></tr><tr><td align="left" rowspan="1" colspan="1">33</td><td align="center" rowspan="1" colspan="1"> AP01788</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1">Myticin C</td><td align="center" rowspan="1" colspan="1"> molluscs</td><td align="center" rowspan="1" colspan="1"> 111</td></tr><tr><td align="left" rowspan="1" colspan="1">34</td><td align="center" rowspan="1" colspan="1"> AP00179</td><td align="center" rowspan="1" colspan="1">33</td><td align="center" rowspan="1" colspan="1">Human neutrophil peptide-4 (Alpha def)</td><td align="center" rowspan="1" colspan="1"> Human</td><td align="center" rowspan="1" colspan="1">97</td></tr><tr><td align="left" rowspan="1" colspan="1">35</td><td align="center" rowspan="1" colspan="1"> AP00641</td><td align="center" rowspan="1" colspan="1">33</td><td align="center" rowspan="1" colspan="1">Pardaxin 1</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> 96</td></tr><tr><td align="left" rowspan="1" colspan="1">36</td><td align="center" rowspan="1" colspan="1"> AP00771</td><td align="center" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1">Magainin 1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> 90</td></tr><tr><td align="left" rowspan="1" colspan="1">37</td><td align="center" rowspan="1" colspan="1"> AP00742</td><td align="center" rowspan="1" colspan="1">42</td><td align="center" rowspan="1" colspan="1">Chicken AvBD6 (Beta def)</td><td align="center" rowspan="1" colspan="1"> Chicken</td><td align="center" rowspan="1" colspan="1"> 88</td></tr><tr><td align="left" rowspan="1" colspan="1">38</td><td align="center" rowspan="1" colspan="1"> AP00144</td><td align="center" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1">Magainin 2</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> 85</td></tr><tr><td align="left" rowspan="1" colspan="1">39</td><td align="center" rowspan="1" colspan="1"> AP00846</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1">Mundticin KS (Bacteriocin)</td><td align="center" rowspan="1" colspan="1"> Bacteria</td><td align="center" rowspan="1" colspan="1">66</td></tr></tbody></table></table-wrap><table-wrap id="tab3" orientation="portrait" position="float"><label>Table 3</label><caption><p>ClusPro ranking of docked complex based on cluster size (member), where peptides with (<italic>∗</italic>) represent the experimentally validated against MERS-CoV and are considered as positive controls.</p></caption><table frame="hsides" rules="groups"><thead><tr><th align="left" rowspan="1" colspan="1">Rank </th><th align="center" rowspan="1" colspan="1"> Peptide</th><th align="center" rowspan="1" colspan="1"> Length </th><th align="center" rowspan="1" colspan="1"> Definition</th><th align="center" rowspan="1" colspan="1">Species </th><th align="center" rowspan="1" colspan="1">Representative </th><th align="center" rowspan="1" colspan="1">Member </th></tr></thead><tbody><tr><td align="left" rowspan="1" colspan="1">1</td><td align="center" rowspan="1" colspan="1"> AP00166</td><td align="center" rowspan="1" colspan="1">25</td><td align="center" rowspan="1" colspan="1">Pleurocidin</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 134</td></tr><tr><td align="left" rowspan="1" colspan="1">2</td><td align="center" rowspan="1" colspan="1"> AP00641</td><td align="center" rowspan="1" colspan="1">33</td><td align="center" rowspan="1" colspan="1">Pardaxin 1</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 134</td></tr><tr><td align="left" rowspan="1" colspan="1">3</td><td align="center" rowspan="1" colspan="1"> AP00144</td><td align="center" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1">Magainin 2</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 117</td></tr><tr><td align="left" rowspan="1" colspan="1">4</td><td align="center" rowspan="1" colspan="1"> AP00771</td><td align="center" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1">Magainin 1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 117</td></tr><tr><td align="left" rowspan="1" colspan="1"> 5</td><td align="center" rowspan="1" colspan="1"> AP01644</td><td align="center" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1">Brevinin-2-RN1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 117</td></tr><tr><td align="left" rowspan="1" colspan="1">6</td><td align="center" rowspan="1" colspan="1"> AP00764</td><td align="center" rowspan="1" colspan="1">24</td><td align="center" rowspan="1" colspan="1">Dermaseptin-S9</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 110</td></tr><tr><td align="left" rowspan="1" colspan="1">7</td><td align="center" rowspan="1" colspan="1"> AP02571</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Cycloviolacin VY1 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 110</td></tr><tr><td align="left" rowspan="1" colspan="1">8</td><td align="center" rowspan="1" colspan="1"> AP00275</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Circulin B (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 107</td></tr><tr><td align="left" rowspan="1" colspan="1">9</td><td align="center" rowspan="1" colspan="1"> AP01022</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Cycloviolin A (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 107</td></tr><tr><td align="left" rowspan="1" colspan="1">10</td><td align="center" rowspan="1" colspan="1"> AP01061</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Circulin D (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 107</td></tr><tr><td align="left" rowspan="1" colspan="1">11</td><td align="center" rowspan="1" colspan="1"> AP00549</td><td align="center" rowspan="1" colspan="1">40</td><td align="center" rowspan="1" colspan="1">Plectasin (fungal defensin)</td><td align="center" rowspan="1" colspan="1"> Fungus</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 101</td></tr><tr><td align="left" rowspan="1" colspan="1">12</td><td align="center" rowspan="1" colspan="1"> AP00729</td><td align="center" rowspan="1" colspan="1">29</td><td align="center" rowspan="1" colspan="1">Kalata B1 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 101</td></tr><tr><td align="left" rowspan="1" colspan="1">13</td><td align="center" rowspan="1" colspan="1"> AP00730</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Kalata B8 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 101</td></tr><tr><td align="left" rowspan="1" colspan="1">14</td><td align="center" rowspan="1" colspan="1"> AP01065</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Cycloviolacin 014 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 101</td></tr><tr><td align="left" rowspan="1" colspan="1">15</td><td align="center" rowspan="1" colspan="1"> AP01788</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1">Myticin C</td><td align="center" rowspan="1" colspan="1"> molluscs</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 97</td></tr><tr><td align="left" rowspan="1" colspan="1">16</td><td align="center" rowspan="1" colspan="1"> AP01356</td><td align="center" rowspan="1" colspan="1">46</td><td align="center" rowspan="1" colspan="1">Cp-thionin II</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 93</td></tr><tr><td align="left" rowspan="1" colspan="1">17</td><td align="center" rowspan="1" colspan="1"> AP00742</td><td align="center" rowspan="1" colspan="1">42</td><td align="center" rowspan="1" colspan="1">Chicken AvBD6 (Beta def)</td><td align="center" rowspan="1" colspan="1"> Chicken</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 87</td></tr><tr><td align="left" rowspan="1" colspan="1">18</td><td align="center" rowspan="1" colspan="1"> AP02148</td><td align="center" rowspan="1" colspan="1">50</td><td align="center" rowspan="1" colspan="1">Apl-AvBD16 (Beta def)</td><td align="center" rowspan="1" colspan="1"> Bird</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 87</td></tr><tr><td align="left" rowspan="1" colspan="1">19</td><td align="center" rowspan="1" colspan="1"> AP00846</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1">Mundticin KS (Bacteriocin)</td><td align="center" rowspan="1" colspan="1"> Bacteria</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 83</td></tr><tr><td align="left" rowspan="1" colspan="1">20</td><td align="center" rowspan="1" colspan="1"> AP00532</td><td align="center" rowspan="1" colspan="1">20</td><td align="center" rowspan="1" colspan="1">Lunatusin</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 78</td></tr><tr><td align="left" rowspan="1" colspan="1">21</td><td align="center" rowspan="1" colspan="1"> P9<italic>∗</italic></td><td align="center" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1">Mouse Beta-defensin</td><td align="center" rowspan="1" colspan="1"> Mouse</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 68</td></tr><tr><td align="left" rowspan="1" colspan="1">22</td><td align="center" rowspan="1" colspan="1"> AP00692</td><td align="center" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1">HFIAP-3 (Hagfish cathelicidin)</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 67</td></tr><tr><td align="left" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1"> AP00036</td><td align="center" rowspan="1" colspan="1">38</td><td align="center" rowspan="1" colspan="1">Bovine Beta-defensin 1</td><td align="center" rowspan="1" colspan="1"> Bovine</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 66</td></tr><tr><td align="left" rowspan="1" colspan="1">24</td><td align="center" rowspan="1" colspan="1"> AP00074</td><td align="center" rowspan="1" colspan="1">24</td><td align="center" rowspan="1" colspan="1">Brevinin-1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 66</td></tr><tr><td align="left" rowspan="1" colspan="1">25</td><td align="center" rowspan="1" colspan="1"> AP00744</td><td align="center" rowspan="1" colspan="1">41</td><td align="center" rowspan="1" colspan="1">AvBD-5, chicken avian beta defensin)</td><td align="center" rowspan="1" colspan="1"> Chicken</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 66</td></tr><tr><td align="left" rowspan="1" colspan="1">26</td><td align="center" rowspan="1" colspan="1"> AP02663</td><td align="center" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1">Piscidins</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 66</td></tr><tr><td align="left" rowspan="1" colspan="1">27</td><td align="center" rowspan="1" colspan="1"> AP00179</td><td align="center" rowspan="1" colspan="1">33</td><td align="center" rowspan="1" colspan="1">Human neutrophil peptide-4 (Alpha def)</td><td align="center" rowspan="1" colspan="1"> Human</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 57</td></tr><tr><td align="left" rowspan="1" colspan="1">28</td><td align="center" rowspan="1" colspan="1"> AP00174</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Guinea pig neutrophil cationic peptide 1</td><td align="center" rowspan="1" colspan="1"> Guinea pig</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 49</td></tr><tr><td align="left" rowspan="1" colspan="1">29</td><td align="center" rowspan="1" colspan="1"> AP02733</td><td align="center" rowspan="1" colspan="1">55</td><td align="center" rowspan="1" colspan="1">Piscidin</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 43</td></tr><tr><td align="left" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1"> AP00160</td><td align="center" rowspan="1" colspan="1">28</td><td align="center" rowspan="1" colspan="1">Dermaseptin-S4</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 40</td></tr><tr><td align="left" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1"> AP00180</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">Human defensin 5 (alpha defensin)</td><td align="center" rowspan="1" colspan="1"> Human</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 40</td></tr><tr><td align="left" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1"> AP00222</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">RatNP-1 (rat alpha defensin,)</td><td align="center" rowspan="1" colspan="1"> Rat</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 40</td></tr><tr><td align="left" rowspan="1" colspan="1">33</td><td align="center" rowspan="1" colspan="1"> AP00223</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">RatNP-2 (rat alpha defensin)</td><td align="center" rowspan="1" colspan="1"> Rat</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 40</td></tr><tr><td align="left" rowspan="1" colspan="1">34</td><td align="center" rowspan="1" colspan="1"> HR2P<italic>∗</italic></td><td align="center" rowspan="1" colspan="1">36</td><td align="center" rowspan="1" colspan="1">HR2 region of MERS-CoV</td><td align="center" rowspan="1" colspan="1">Synthetic</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 39</td></tr><tr><td align="left" rowspan="1" colspan="1">35</td><td align="center" rowspan="1" colspan="1"> AP00340</td><td align="center" rowspan="1" colspan="1">25</td><td align="center" rowspan="1" colspan="1">Chrysophsin-2</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 38</td></tr><tr><td align="left" rowspan="1" colspan="1">36</td><td align="center" rowspan="1" colspan="1"> AP00181</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">Human defensin 6</td><td align="center" rowspan="1" colspan="1"> Human</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 37</td></tr><tr><td align="left" rowspan="1" colspan="1">37</td><td align="center" rowspan="1" colspan="1"> AP00260</td><td align="center" rowspan="1" colspan="1">22</td><td align="center" rowspan="1" colspan="1">Maculatin 1.1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 37</td></tr><tr><td align="left" rowspan="1" colspan="1">38</td><td align="center" rowspan="1" colspan="1"> AP02830</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1">ccBD (Channel Catfish beta def)</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 33</td></tr><tr><td align="left" rowspan="1" colspan="1">39</td><td align="center" rowspan="1" colspan="1"> AP00225</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">RatNP-4 (rat defensin)</td><td align="center" rowspan="1" colspan="1"> Rat</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> 31</td></tr></tbody></table></table-wrap><table-wrap id="tab4" orientation="portrait" position="float"><label>Table 4</label><caption><p>ClusPro ranking of docked complex based on energy scores, where peptides with (<italic>∗</italic>) represent the experimentally validated against MERS-CoV and are considered as positive controls.</p></caption><table frame="hsides" rules="groups"><thead><tr><th align="left" rowspan="1" colspan="1">Rank </th><th align="center" rowspan="1" colspan="1"> Peptide</th><th align="center" rowspan="1" colspan="1"> Length </th><th align="center" rowspan="1" colspan="1"> Definition</th><th align="center" rowspan="1" colspan="1">Species </th><th align="center" rowspan="1" colspan="1">Representative </th><th align="center" rowspan="1" colspan="1">Energy </th></tr></thead><tbody><tr><td align="left" rowspan="1" colspan="1">1</td><td align="center" rowspan="1" colspan="1"> AP00260</td><td align="center" rowspan="1" colspan="1">22</td><td align="center" rowspan="1" colspan="1">Maculatin 1.1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1692.0</td></tr><tr><td align="left" rowspan="1" colspan="1">2</td><td align="center" rowspan="1" colspan="1"> AP02733</td><td align="center" rowspan="1" colspan="1">55</td><td align="center" rowspan="1" colspan="1">Piscidin</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1581.2</td></tr><tr><td align="left" rowspan="1" colspan="1">3</td><td align="center" rowspan="1" colspan="1"> AP00179</td><td align="center" rowspan="1" colspan="1">33</td><td align="center" rowspan="1" colspan="1">Human neutrophil peptide-4 (Alpha def)</td><td align="center" rowspan="1" colspan="1"> Human</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1498.5</td></tr><tr><td align="left" rowspan="1" colspan="1">4</td><td align="center" rowspan="1" colspan="1"> AP00340</td><td align="center" rowspan="1" colspan="1">25</td><td align="center" rowspan="1" colspan="1">Chrysophsin-2</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1488.6</td></tr><tr><td align="left" rowspan="1" colspan="1">5</td><td align="center" rowspan="1" colspan="1"> AP00181</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">Human defensin 6</td><td align="center" rowspan="1" colspan="1"> Human</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1399.5</td></tr><tr><td align="left" rowspan="1" colspan="1">6</td><td align="center" rowspan="1" colspan="1"> AP00180</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">Human defensin 5 (alpha defensin)</td><td align="center" rowspan="1" colspan="1"> Human</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1340.8</td></tr><tr><td align="left" rowspan="1" colspan="1">7</td><td align="center" rowspan="1" colspan="1"> AP00222</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">RatNP-1 (rat alpha defensin,)</td><td align="center" rowspan="1" colspan="1"> Rat</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1340.8</td></tr><tr><td align="left" rowspan="1" colspan="1">8</td><td align="center" rowspan="1" colspan="1"> AP00223</td><td align="center" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1">RatNP-2 (rat alpha defensin)</td><td align="center" rowspan="1" colspan="1"> Rat</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1340.8</td></tr><tr><td align="left" rowspan="1" colspan="1">9</td><td align="center" rowspan="1" colspan="1"> AP00764</td><td align="center" rowspan="1" colspan="1">24</td><td align="center" rowspan="1" colspan="1">Dermaseptin-S9</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1338.8</td></tr><tr><td align="left" rowspan="1" colspan="1">10</td><td align="center" rowspan="1" colspan="1"> AP00742</td><td align="center" rowspan="1" colspan="1">42</td><td align="center" rowspan="1" colspan="1">Chicken AvBD6 (Beta def)</td><td align="center" rowspan="1" colspan="1"> Chicken</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1264.8</td></tr><tr><td align="left" rowspan="1" colspan="1">11</td><td align="center" rowspan="1" colspan="1"> AP02148</td><td align="center" rowspan="1" colspan="1">50</td><td align="center" rowspan="1" colspan="1">Apl-AvBD16 (Beta def)</td><td align="center" rowspan="1" colspan="1"> Bird</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1264.8</td></tr><tr><td align="left" rowspan="1" colspan="1">12</td><td align="center" rowspan="1" colspan="1"> HR2P<italic>∗</italic></td><td align="center" rowspan="1" colspan="1">36</td><td align="center" rowspan="1" colspan="1">HR2 region of MERS-CoV</td><td align="center" rowspan="1" colspan="1"> Synthetic</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1256.9</td></tr><tr><td align="left" rowspan="1" colspan="1">13</td><td align="center" rowspan="1" colspan="1"> AP00174</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Guinea pig neutrophil cationic peptide 1</td><td align="center" rowspan="1" colspan="1"> Guinea pig</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1223.0</td></tr><tr><td align="left" rowspan="1" colspan="1">14</td><td align="center" rowspan="1" colspan="1"> AP01788</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1">Myticin C</td><td align="center" rowspan="1" colspan="1"> molluscs</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1202.7</td></tr><tr><td align="left" rowspan="1" colspan="1">15</td><td align="center" rowspan="1" colspan="1"> AP02830</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1">ccBD (Channel Catfish beta def)</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1184.3</td></tr><tr><td align="left" rowspan="1" colspan="1">16</td><td align="center" rowspan="1" colspan="1"> AP00074</td><td align="center" rowspan="1" colspan="1">24</td><td align="center" rowspan="1" colspan="1">Brevinin-1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1184.2</td></tr><tr><td align="left" rowspan="1" colspan="1">17</td><td align="center" rowspan="1" colspan="1"> AP02663</td><td align="center" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1">Piscidins</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1184.2</td></tr><tr><td align="left" rowspan="1" colspan="1">18</td><td align="center" rowspan="1" colspan="1"> AP01356</td><td align="center" rowspan="1" colspan="1">46</td><td align="center" rowspan="1" colspan="1">Cp-thionin II</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1139.1</td></tr><tr><td align="left" rowspan="1" colspan="1">19</td><td align="center" rowspan="1" colspan="1"> AP00166</td><td align="center" rowspan="1" colspan="1">25</td><td align="center" rowspan="1" colspan="1">Pleurocidin</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1137.1</td></tr><tr><td align="left" rowspan="1" colspan="1">20</td><td align="center" rowspan="1" colspan="1"> AP00225</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">RatNP-4 (rat defensin)</td><td align="center" rowspan="1" colspan="1"> Rat</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1103.8</td></tr><tr><td align="left" rowspan="1" colspan="1">21</td><td align="center" rowspan="1" colspan="1"> AP00036</td><td align="center" rowspan="1" colspan="1">38</td><td align="center" rowspan="1" colspan="1">Bovine Beta-defensin 1</td><td align="center" rowspan="1" colspan="1"> Bovine</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1103.7</td></tr><tr><td align="left" rowspan="1" colspan="1">22</td><td align="center" rowspan="1" colspan="1"> AP00744</td><td align="center" rowspan="1" colspan="1">41</td><td align="center" rowspan="1" colspan="1">AvBD-5, chicken avian beta defensin)</td><td align="center" rowspan="1" colspan="1"> Chicken</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1103.7</td></tr><tr><td align="left" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1"> AP00160</td><td align="center" rowspan="1" colspan="1">28</td><td align="center" rowspan="1" colspan="1">Dermaseptin-S4</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1097.0</td></tr><tr><td align="left" rowspan="1" colspan="1">24</td><td align="center" rowspan="1" colspan="1"> AP00641</td><td align="center" rowspan="1" colspan="1">33</td><td align="center" rowspan="1" colspan="1">Pardaxin 1</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -1050.1</td></tr><tr><td align="left" rowspan="1" colspan="1">25</td><td align="center" rowspan="1" colspan="1"> AP00549</td><td align="center" rowspan="1" colspan="1">40</td><td align="center" rowspan="1" colspan="1">Plectasin (fungal defensin)</td><td align="center" rowspan="1" colspan="1"> Fungus</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -994.2</td></tr><tr><td align="left" rowspan="1" colspan="1">26</td><td align="center" rowspan="1" colspan="1"> AP00275</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Circulin B (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -993.9</td></tr><tr><td align="left" rowspan="1" colspan="1">27</td><td align="center" rowspan="1" colspan="1"> AP01022</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Cycloviolin A (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -993.9</td></tr><tr><td align="left" rowspan="1" colspan="1">28</td><td align="center" rowspan="1" colspan="1"> AP01061</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Circulin D (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -993.9</td></tr><tr><td align="left" rowspan="1" colspan="1">29</td><td align="center" rowspan="1" colspan="1"> AP00846</td><td align="center" rowspan="1" colspan="1">43</td><td align="center" rowspan="1" colspan="1">Mundticin KS (Bacteriocin)</td><td align="center" rowspan="1" colspan="1"> Bacteria</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -937.1</td></tr><tr><td align="left" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1"> P9<italic>∗</italic></td><td align="center" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1">Mouse Beta-defensin</td><td align="center" rowspan="1" colspan="1"> Mouse</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -925.5</td></tr><tr><td align="left" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1"> AP00532</td><td align="center" rowspan="1" colspan="1">20</td><td align="center" rowspan="1" colspan="1">Lunatusin</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -921.9</td></tr><tr><td align="left" rowspan="1" colspan="1">32</td><td align="center" rowspan="1" colspan="1"> AP02571</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Cycloviolacin VY1 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -897.7</td></tr><tr><td align="left" rowspan="1" colspan="1">33</td><td align="center" rowspan="1" colspan="1"> AP00144</td><td align="center" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1">Magainin 2</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -868.2</td></tr><tr><td align="left" rowspan="1" colspan="1">34</td><td align="center" rowspan="1" colspan="1"> AP00771</td><td align="center" rowspan="1" colspan="1">23</td><td align="center" rowspan="1" colspan="1">Magainin 1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -868.2</td></tr><tr><td align="left" rowspan="1" colspan="1">35</td><td align="center" rowspan="1" colspan="1"> AP01644</td><td align="center" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1">Brevinin-2-RN1</td><td align="center" rowspan="1" colspan="1"> Frog</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -868.2</td></tr><tr><td align="left" rowspan="1" colspan="1">36</td><td align="center" rowspan="1" colspan="1"> AP00692</td><td align="center" rowspan="1" colspan="1">30</td><td align="center" rowspan="1" colspan="1">HFIAP-3 (Hagfish cathelicidin)</td><td align="center" rowspan="1" colspan="1"> Fish</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -821.3</td></tr><tr><td align="left" rowspan="1" colspan="1">37</td><td align="center" rowspan="1" colspan="1"> AP00729</td><td align="center" rowspan="1" colspan="1">29</td><td align="center" rowspan="1" colspan="1">Kalata B1 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -805.8</td></tr><tr><td align="left" rowspan="1" colspan="1">38</td><td align="center" rowspan="1" colspan="1"> AP00730</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Kalata B8 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -805.8</td></tr><tr><td align="left" rowspan="1" colspan="1">39</td><td align="center" rowspan="1" colspan="1"> AP01065</td><td align="center" rowspan="1" colspan="1">31</td><td align="center" rowspan="1" colspan="1">Cycloviolacin 014 (cyclotides)</td><td align="center" rowspan="1" colspan="1"> Plant</td><td align="center" rowspan="1" colspan="1"> Center</td><td align="center" rowspan="1" colspan="1"> -805.8</td></tr></tbody></table></table-wrap><table-wrap id="tab5" orientation="portrait" position="float"><label>Table 5</label><caption><p>Binding mode of each peptide-protein complex using Protein Interaction Calculator (PIC) server.</p></caption><table frame="hsides" rules="groups"><thead><tr><th align="left" rowspan="1" colspan="1">APD3 ID</th><th align="center" rowspan="1" colspan="1">Hydrophobic interactions </th><th align="center" rowspan="1" colspan="1">Main chain Hydrogen bond interactions </th><th align="center" rowspan="1" colspan="1">Side chain Hydrogen bond interactions </th><th align="center" rowspan="1" colspan="1">Ionic interactions </th><th align="center" rowspan="1" colspan="1">Aromatic-aromatic interactions </th><th align="center" rowspan="1" colspan="1">Aromatic-sulphur interactions </th></tr></thead><tbody><tr><td align="left" rowspan="1" colspan="1">P9</td><td align="center" rowspan="1" colspan="1"><bold>Tyr64</bold>, <bold>Ile69</bold>, Tyr809,<bold> Ala920</bold>, <bold>Tyr928</bold>, <bold>Val929</bold>, Tyr932, Ala1037</td><td align="center" rowspan="1" colspan="1">Asn812, Ser919, Asp922, Asn1042, Asn812, Ser1038</td><td align="center" rowspan="1" colspan="1">Tyr932</td><td align="center" rowspan="1" colspan="1">Glu1039</td><td align="center" rowspan="1" colspan="1"><bold>Tyr928, Tyr64 </bold></td><td align="center" rowspan="1" colspan="1">Cys925</td></tr><tr><td colspan="7" rowspan="1"><hr></hr></td></tr><tr><td align="left" rowspan="1" colspan="1">AP00549</td><td align="center" rowspan="1" colspan="1"> Ala1049, Pro59, <bold>Tyr64</bold>, <bold>Tyr928</bold>, <bold>Val929</bold>, Ala930,<bold> Ala920</bold>, <bold>Ile69</bold>, Tyr71</td><td align="center" rowspan="1" colspan="1">Ala1049, Gly61</td><td align="center" rowspan="1" colspan="1">Gln60, Gln1056, Cys925</td><td align="center" rowspan="1" colspan="1"> Arg1057, Arg62, Asp922</td><td align="center" rowspan="1" colspan="1"><bold>Tyr928, Tyr71 </bold></td><td align="center" rowspan="1" colspan="1"><bold>- </bold></td></tr><tr><td colspan="7" rowspan="1"><hr></hr></td></tr><tr><td align="left" rowspan="1" colspan="1">AP00225</td><td align="center" rowspan="1" colspan="1"><italic>Val790, Tyr1142</italic>, Phe764, <italic>Leu731</italic>, Ile768, <italic>Pro1143, Pro767, Val770</italic></td><td align="center" rowspan="1" colspan="1"> Pro730</td><td align="center" rowspan="1" colspan="1"> Thr791, Gln1119, Tyr1141, Leu729, Asn765, Leu731, His1146, Asn765, His766</td><td align="center" rowspan="1" colspan="1"> Gln792, Ser734</td><td align="center" rowspan="1" colspan="1">Glu1017</td><td align="center" rowspan="1" colspan="1">Tyr1142</td></tr><tr><td colspan="7" rowspan="1"><hr></hr></td></tr><tr><td align="left" rowspan="1" colspan="1">AP00180</td><td align="center" rowspan="1" colspan="1"> Ala1007, Val790, <italic>Leu731, Pro767</italic>, Ile768, <italic>Tyr1142</italic></td><td align="center" rowspan="1" colspan="1"> Gly789, Pro730</td><td align="center" rowspan="1" colspan="1"> Gln1119, Tyr1142, Leu731, Leu729, Pro730, Asn765 Aln1007</td><td align="center" rowspan="1" colspan="1">Glu1017, Asp740</td><td align="center" rowspan="1" colspan="1"> -</td><td align="center" rowspan="1" colspan="1"> Cys1142</td></tr><tr><td colspan="7" rowspan="1"><hr></hr></td></tr><tr><td align="left" rowspan="1" colspan="1">AP00744</td><td align="center" rowspan="1" colspan="1"> Leu1200, <italic>Pro767, Val1168</italic>, Ile1180, <italic>Leu780</italic>, Phe778, <italic>Pro1143</italic>, Val983, Ile985</td><td align="center" rowspan="1" colspan="1"> Ala1206</td><td align="center" rowspan="1" colspan="1"> Cys1164, Val770, Tyr1153, Ser781</td><td align="center" rowspan="1" colspan="1"> Asp771</td><td align="center" rowspan="1" colspan="1">Tyr1142</td><td align="center" rowspan="1" colspan="1"> -</td></tr><tr><td colspan="7" rowspan="1"><hr></hr></td></tr><tr><td align="left" rowspan="1" colspan="1">HR2P</td><td align="center" rowspan="1" colspan="1"> Tyr1153, Ile1165, <italic>Val1168</italic>, Ile1180, Val1181, <italic>Leu780, Val770, Pro767, Pro1143, Tyr1142, Val790, Leu729,</italic> Pro730, <italic>Leu731</italic></td><td align="center" rowspan="1" colspan="1">-</td><td align="center" rowspan="1" colspan="1">Asn1169</td><td align="center" rowspan="1" colspan="1">His1146, His766</td><td align="center" rowspan="1" colspan="1">-</td><td align="center" rowspan="1" colspan="1"> -</td></tr></tbody></table></table-wrap></floats-group></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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