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

<DISTANCE_CONSTRAINTS>
<TOTAL>2530</TOTAL>
<INTRA>432</INTRA>
<SEQUENTIAL>592</SEQUENTIAL>
<MEDIUM>536</MEDIUM>
<LONG>970</LONG>
<NUM_PER_RES>30.9</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>116</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2646</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>32.3</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>11.8</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>20.5</GROUP1>
<GROUP2>10.75</GROUP2>
<GROUP3>2.35</GROUP3>
<RMS_DIST_VIOL>0.04</RMS_DIST_VIOL>
<MAX_DIST_VIOL>1.09</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.25</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.09</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>2.40</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.911</RECALL><PRECISION>0.844</PRECISION><F_MEASURE>0.876</F_MEASURE><DP_SCORE>0.824</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.0</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.6</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.6</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.02</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.02</PROCHECK_G_ALL>
<VERIFY3D>0.45</VERIFY3D>
<PROSAII_NEG>0.70</PROSAII_NEG>
<MAGE_CLASH>9.13
</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>0.0300</VERIFY3D>
<PROSAII_NEG>0.0426</PROSAII_NEG>
<MAGE_CLASH>1.4737
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>0.39</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.12</PROCHECK_G_ALL>
<VERIFY3D>-0.16</VERIFY3D>
<PROSAII_NEG>0.21</PROSAII_NEG>
<MAGE_CLASH>-0.04
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.85
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>96.1%</MOST_FAVORED>
<ADDID_ALLOWED>3.8%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.6%</MOST_FAVORED>
<ALLOWED>0.4%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>4A-15A,18A-28A,31A-41A,43A-82A,4B-15B,18B-28B,31B-41B,43B-82B</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>4A-15A,18A-28A,31A-41A,43A-82A,3B-15B,18B-41B,43B-77B</SEL_RES>

</SUMMARY>
