<?xml version="1.0" encoding="UTF-8"?>
<SUMMARY>
<SP_COMM><![CDATA[ Analyses performed for user defined residues.<BR>]]></SP_COMM>

<DISTANCE_CONSTRAINTS>
<TOTAL>1769</TOTAL>
<INTRA>500</INTRA>
<SEQUENTIAL>412</SEQUENTIAL>
<MEDIUM>87</MEDIUM>
<LONG>770</LONG>
<NUM_PER_RES>28.1</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>80</TOTAL>
<LONG>72 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>152</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2001</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>31.8</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>13.4</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>19.05</GROUP1>
<GROUP2>37.6</GROUP2>
<GROUP3>95.45</GROUP3>
<RMS_DIST_VIOL>0.35</RMS_DIST_VIOL>
<MAX_DIST_VIOL>4.05</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>12.8</GROUP1>
<GROUP2>9.2</GROUP2>
<RMS_DIHEDRAL_VIOL>5.63</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>63.80</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.9</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.8</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.71</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.19</PROCHECK_G_ALL>
<VERIFY3D>0.37</VERIFY3D>
<PROSAII_NEG>0.34</PROSAII_NEG>
<MAGE_CLASH>5.75
</MAGE_CLASH>
</MEAN_SCORE>
<STD_DEVIATION>
<PROCHECK_G_PHI_PSI>N/A</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>N/A</PROCHECK_G_ALL>
<VERIFY3D>0.0404</VERIFY3D>
<PROSAII_NEG>0.1060</PROSAII_NEG>
<MAGE_CLASH>2.2988
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-2.48</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-1.12</PROCHECK_G_ALL>
<VERIFY3D>-1.44</VERIFY3D>
<PROSAII_NEG>-1.28</PROSAII_NEG>
<MAGE_CLASH>0.54
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<RAMACHANDRAN>
<MOST_FAVORED>87.3%</MOST_FAVORED>
<ADDID_ALLOWED>12.7%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.8%</MOST_FAVORED>
<ALLOWED>1.2%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>5A-27A,30A-40A,50A-62A,5B-27B,30B-40B,50B-62B</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>5A-27A,30A-40A,50A-62A</SEL_RES>

</SUMMARY>
