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

<DISTANCE_CONSTRAINTS>
<TOTAL>2261</TOTAL>
<INTRA>615</INTRA>
<SEQUENTIAL>620</SEQUENTIAL>
<MEDIUM>297</MEDIUM>
<LONG>729</LONG>
<NUM_PER_RES>17.0</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>203</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2464</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>18.5</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>5.5</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>9.7</GROUP1>
<GROUP2>2.5</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.02</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.33</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>7.75</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.46</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>5.30</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.973</RECALL><PRECISION>0.883</PRECISION><F_MEASURE>0.926</F_MEASURE><DP_SCORE>0.749</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>5.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>5.6</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>4.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>4.0</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>4.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>4.0</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.46</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.31</PROCHECK_G_ALL>
<VERIFY3D>0.34</VERIFY3D>
<PROSAII_NEG>0.41</PROSAII_NEG>
<MAGE_CLASH>17.27
</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>0.0240</VERIFY3D>
<PROSAII_NEG>0.0523</PROSAII_NEG>
<MAGE_CLASH>2.5282
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.49</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-1.83</PROCHECK_G_ALL>
<VERIFY3D>-1.93</VERIFY3D>
<PROSAII_NEG>-0.99</PROSAII_NEG>
<MAGE_CLASH>-1.44
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>2.14
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>87.9%</MOST_FAVORED>
<ADDID_ALLOWED>12.1%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>96.4%</MOST_FAVORED>
<ALLOWED>3.6%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>4A-80A,86A-119A,129A-132A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>4A-80A,86A-119A,129A-132A</SEL_RES>

</SUMMARY>
