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

<DISTANCE_CONSTRAINTS>
<TOTAL>1356</TOTAL>
<INTRA>0</INTRA>
<SEQUENTIAL>198</SEQUENTIAL>
<MEDIUM>778</MEDIUM>
<LONG>380</LONG>
<NUM_PER_RES>19.4</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>122</TOTAL>
<LONG>0 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>251</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1729</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>24.7</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>5.4</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>0</GROUP1>
<GROUP2>0</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.00</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.03</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.05</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.02</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>1.10</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.836345</RECALL><PRECISION>0.909448</PRECISION><F_MEASURE>0.871</F_MEASURE><DP_SCORE>0.742972</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.3</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.54</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.34</PROCHECK_G_ALL>
<VERIFY3D>0.33</VERIFY3D>
<PROSAII_NEG>1.02</PROSAII_NEG>
<MAGE_CLASH>18.81
</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>0.0192</VERIFY3D>
<PROSAII_NEG>0.0363</PROSAII_NEG>
<MAGE_CLASH>2.2249
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>2.44</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>2.01</PROCHECK_G_ALL>
<VERIFY3D>-2.09</VERIFY3D>
<PROSAII_NEG>1.53</PROSAII_NEG>
<MAGE_CLASH>-1.70
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.48
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>97.3%</MOST_FAVORED>
<ADDID_ALLOWED>2.6%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99%</MOST_FAVORED>
<ALLOWED>1%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>9A-73A,9B-73B</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>9A-73A,9B-73B</SEL_RES>

</SUMMARY>
