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

<DISTANCE_CONSTRAINTS>
<TOTAL>1356</TOTAL>
<INTRA>0</INTRA>
<SEQUENTIAL>198</SEQUENTIAL>
<MEDIUM>778</MEDIUM>
<LONG>380</LONG>
<NUM_PER_RES>19.4</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>122</TOTAL>
<LONG>0</LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>251</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1729</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>24.7</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>5.4</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>18</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>6.22</GROUP1>
<GROUP2>2.33</GROUP2>
<GROUP3>1.89</GROUP3>
<RMS_DIST_VIOL>0.02</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.87</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.00</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>0</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.866466</RECALL><PRECISION>0.913449</PRECISION><F_MEASURE>0.889</F_MEASURE><DP_SCORE>0.818548</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.5</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.8</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.8</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.70</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.69</PROCHECK_G_ALL>
<VERIFY3D>0.38</VERIFY3D>
<PROSAII_NEG>1.06</PROSAII_NEG>
<MAGE_CLASH>4.25
</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>0.0307</VERIFY3D>
<PROSAII_NEG>0.0767</PROSAII_NEG>
<MAGE_CLASH>1.5840
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>3.07</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>4.08</PROCHECK_G_ALL>
<VERIFY3D>-1.28</VERIFY3D>
<PROSAII_NEG>1.70</PROSAII_NEG>
<MAGE_CLASH>0.80
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.03
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>99.5%</MOST_FAVORED>
<ADDID_ALLOWED>0.4%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.1%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.8%</MOST_FAVORED>
<ALLOWED>0.2%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>9A-73A,9B-73B</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>9A-73A,9B-73B</SEL_RES>

</SUMMARY>
