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

<DISTANCE_CONSTRAINTS>
<TOTAL>1499</TOTAL>
<INTRA>201</INTRA>
<SEQUENTIAL>471</SEQUENTIAL>
<MEDIUM>175</MEDIUM>
<LONG>652</LONG>
<NUM_PER_RES>13.0</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>0</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1499</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>13.0</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>5.7</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>0.45</GROUP1>
<GROUP2>0</GROUP2>
<GROUP3>0.05</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>1.09</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<RPF>
<RECALL>0.965</RECALL><PRECISION>0.929</PRECISION><F_MEASURE>0.947</F_MEASURE><DP_SCORE>0.815</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.7</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.1</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.1</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.53</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.09</PROCHECK_G_ALL>
<VERIFY3D>0.39</VERIFY3D>
<PROSAII_NEG>0.49</PROSAII_NEG>
<MAGE_CLASH>4.49
</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>0.0232</VERIFY3D>
<PROSAII_NEG>0.0724</PROSAII_NEG>
<MAGE_CLASH>1.5837
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.77</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.53</PROCHECK_G_ALL>
<VERIFY3D>-1.12</VERIFY3D>
<PROSAII_NEG>-0.66</PROSAII_NEG>
<MAGE_CLASH>0.76
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.83
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>88.3%</MOST_FAVORED>
<ADDID_ALLOWED>11.7%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.9%</MOST_FAVORED>
<ALLOWED>1.1%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>15A-37A,42A-47A,51A-57A,60A-72A,75A-79A,86A-91A,100A-106A,108A-116A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>15A-32A,34A-37A,42A-47A,53A-72A,75A-79A,85A-91A,101A-106A,110A-116A</SEL_RES>

</SUMMARY>
