<?xml version="1.0" encoding="UTF-8" ?><xml>
  <node>
    <id>21248</id>
    <pdb-id>1YPM</pdb-id>
    <threshold></threshold>
    <alignment></alignment>
    <bfactor-bindingsite>10.6948</bfactor-bindingsite>
    <bfactor-ligand>12.4097</bfactor-ligand>
    <backbone-hbond>-7.74</backbone-hbond>
    <cath-id>1ypmH01</cath-id>
    <dssp-bindingsite>B=5 C=44 E=15 G=3 S=3 T=31</dssp-bindingsite>
    <dssp-ligand>C=59 G=11 T=30</dssp-ligand>
    <description>X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1014</description>
    <foldx-bindingenergy>-33.97</foldx-bindingenergy>
    <ligand>L</ligand>
    <ligand-size>27</ligand-size>
    <receptor>H</receptor>
    <scop-class></scop-class>
    <scop-id></scop-id>
    <ss-bindingsite>15</ss-bindingsite>
    <ss-ligand>0</ss-ligand>
    <sidechain-hbond>-11.72</sidechain-hbond>
    <uniprot-accession>P00734</uniprot-accession>
    <uniprot-description>Prothrombin</uniprot-description>
    <uniprot-entry>THRB_HUMAN</uniprot-entry>
    <uniprot-sequence>MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE</uniprot-sequence>
    <disulfide-bonds></disulfide-bonds>
  </node>
</xml>

