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

<DISTANCE_CONSTRAINTS>
<TOTAL>1700</TOTAL>
<INTRA>477</INTRA>
<SEQUENTIAL>441</SEQUENTIAL>
<MEDIUM>170</MEDIUM>
<LONG>612</LONG>
<NUM_PER_RES>17.3</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>125</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1825</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>18.6</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>6.2</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</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.18</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1.25</GROUP1>
<GROUP2>0.1</GROUP2>
<RMS_DIHEDRAL_VIOL>4.36</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>154.00</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.994</RECALL><PRECISION>0.887</PRECISION><F_MEASURE>0.938</F_MEASURE><DP_SCORE>0.837</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.0</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.4</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.0</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.0</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.60</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.36</PROCHECK_G_ALL>
<VERIFY3D>0.46</VERIFY3D>
<PROSAII_NEG>0.45</PROSAII_NEG>
<MAGE_CLASH>16.18
</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>0.0199</VERIFY3D>
<PROSAII_NEG>0.0487</PROSAII_NEG>
<MAGE_CLASH>2.3677
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-2.05</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-2.13</PROCHECK_G_ALL>
<VERIFY3D>0.00</VERIFY3D>
<PROSAII_NEG>-0.83</PROSAII_NEG>
<MAGE_CLASH>-1.25
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.60
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>92.4%</MOST_FAVORED>
<ADDID_ALLOWED>6.6%</ADDID_ALLOWED>
<GEN_ALLOWED>1.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>96.8%</MOST_FAVORED>
<ALLOWED>3.2%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>2A-33A,38A-78A,83A-94A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>2A-33A,38A-78A,83A-94A</SEL_RES>

</SUMMARY>
