<?xml version="1.0" encoding="UTF-8" ?><xml>
  <node>
    <id>21280</id>
    <pdb-id>2A2X</pdb-id>
    <threshold></threshold>
    <alignment></alignment>
    <bfactor-bindingsite>14.781</bfactor-bindingsite>
    <bfactor-ligand>22.1365</bfactor-ligand>
    <backbone-hbond>-6.77</backbone-hbond>
    <cath-id>2a2xH01</cath-id>
    <dssp-bindingsite>B=2 C=43 E=14 G=2 H=2 S=7 T=30</dssp-bindingsite>
    <dssp-ligand>C=56 G=9 T=35</dssp-ligand>
    <description>Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12</description>
    <foldx-bindingenergy>-31.77</foldx-bindingenergy>
    <ligand>L</ligand>
    <ligand-size>34</ligand-size>
    <receptor>H</receptor>
    <scop-class></scop-class>
    <scop-id></scop-id>
    <ss-bindingsite>16</ss-bindingsite>
    <ss-ligand>0</ss-ligand>
    <sidechain-hbond>-11.47</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>

