<?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>1.9</GROUP1>
<GROUP2>5.95</GROUP2>
<GROUP3>10.85</GROUP3>
<RMS_DIST_VIOL>0.21</RMS_DIST_VIOL>
<MAX_DIST_VIOL>5.77</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<RPF>
<RECALL>0.95</RECALL><PRECISION>0.933</PRECISION><F_MEASURE>0.941</F_MEASURE><DP_SCORE>0.789</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>4.2</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.51</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.07</PROCHECK_G_ALL>
<VERIFY3D>0.40</VERIFY3D>
<PROSAII_NEG>0.48</PROSAII_NEG>
<MAGE_CLASH>3.53
</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>0.0331</VERIFY3D>
<PROSAII_NEG>0.0596</PROSAII_NEG>
<MAGE_CLASH>1.4039
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.69</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.41</PROCHECK_G_ALL>
<VERIFY3D>-0.96</VERIFY3D>
<PROSAII_NEG>-0.70</PROSAII_NEG>
<MAGE_CLASH>0.92
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.89
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>88.9%</MOST_FAVORED>
<ADDID_ALLOWED>11.1%</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>15A-32A,34A-37A,42A-47A,53A-57A,60A-73A,75A-79A,85A-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>
