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

<DISTANCE_CONSTRAINTS>
<TOTAL>1755</TOTAL>
<INTRA>455</INTRA>
<SEQUENTIAL>498</SEQUENTIAL>
<MEDIUM>256</MEDIUM>
<LONG>546</LONG>
<NUM_PER_RES>20.6</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>125</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1880</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>22.1</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>6.4</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>0.5</GROUP1>
<GROUP2>0.05</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.22</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1.25</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.17</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>2.20</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.982</RECALL><PRECISION>0.931</PRECISION><F_MEASURE>0.956</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>0.6</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>-0.36</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.15</PROCHECK_G_ALL>
<VERIFY3D>0.38</VERIFY3D>
<PROSAII_NEG>0.61</PROSAII_NEG>
<MAGE_CLASH>14.51
</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>0.0218</VERIFY3D>
<PROSAII_NEG>0.0600</PROSAII_NEG>
<MAGE_CLASH>3.0378
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.10</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.89</PROCHECK_G_ALL>
<VERIFY3D>-1.28</VERIFY3D>
<PROSAII_NEG>-0.17</PROSAII_NEG>
<MAGE_CLASH>-0.96
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.28
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>91.9%</MOST_FAVORED>
<ADDID_ALLOWED>8.0%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.7%</MOST_FAVORED>
<ALLOWED>1.3%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>8A-82A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>8A-82A</SEL_RES>

</SUMMARY>
