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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<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. These seven AMPs could serve as a therapeutic option for MERS and enhance its treatment outcome.</p>
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<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>
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<contrib-group><contrib contrib-type="author"><name><surname>Mustafa</surname>
<given-names>Sabeena</given-names>
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<xref ref-type="aff" rid="I1"><sup>1</sup>
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<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>
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