<?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>10.6</GROUP1>
<GROUP2>19</GROUP2>
<GROUP3>40.95</GROUP3>
<RMS_DIST_VIOL>0.34</RMS_DIST_VIOL>
<MAX_DIST_VIOL>4.83</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>4.65</GROUP1>
<GROUP2>0.85</GROUP2>
<RMS_DIHEDRAL_VIOL>2.45</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>45.50</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.975</RECALL><PRECISION>0.93</PRECISION><F_MEASURE>0.952</F_MEASURE><DP_SCORE>0.805</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.2</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.29</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.08</PROCHECK_G_ALL>
<VERIFY3D>0.41</VERIFY3D>
<PROSAII_NEG>0.65</PROSAII_NEG>
<MAGE_CLASH>2.97
</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>0.0200</VERIFY3D>
<PROSAII_NEG>0.0441</PROSAII_NEG>
<MAGE_CLASH>1.1681
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-0.83</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.47</PROCHECK_G_ALL>
<VERIFY3D>-0.80</VERIFY3D>
<PROSAII_NEG>0.00</PROSAII_NEG>
<MAGE_CLASH>1.02
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.25
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>93.1%</MOST_FAVORED>
<ADDID_ALLOWED>6.9%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.5%</MOST_FAVORED>
<ALLOWED>0.5%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>8A-83A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>8A-82A</SEL_RES>

</SUMMARY>
