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

<DISTANCE_CONSTRAINTS>
<TOTAL>712</TOTAL>
<INTRA>80</INTRA>
<SEQUENTIAL>245</SEQUENTIAL>
<MEDIUM>236</MEDIUM>
<LONG>151</LONG>
<NUM_PER_RES>9.6</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>90</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>802</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>10.8</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>2.0</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>0.25</GROUP1>
<GROUP2>0.35</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.45</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.2</GROUP1>
<GROUP2>0.45</GROUP2>
<RMS_DIHEDRAL_VIOL>1.21</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>19.70</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.943</RECALL><PRECISION>0.914</PRECISION><F_MEASURE>0.928</F_MEASURE><DP_SCORE>0.773</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>4.0</BACKBONE_ATOMS>
<HEAVY_ATOMS>4.4</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.3</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.3</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.51</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.55</PROCHECK_G_ALL>
<VERIFY3D>0.39</VERIFY3D>
<PROSAII_NEG>0.85</PROSAII_NEG>
<MAGE_CLASH>3.63
</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>0.0368</VERIFY3D>
<PROSAII_NEG>0.0663</PROSAII_NEG>
<MAGE_CLASH>1.6555
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>2.32</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>3.25</PROCHECK_G_ALL>
<VERIFY3D>-1.12</VERIFY3D>
<PROSAII_NEG>0.83</PROSAII_NEG>
<MAGE_CLASH>0.90
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>0.56
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>98.5%</MOST_FAVORED>
<ADDID_ALLOWED>1.5%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.4%</MOST_FAVORED>
<ALLOWED>0.6%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>11A-13A,18A-54A,61A-77A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>11A-13A,18A-54A,62A-77A</SEL_RES>

</SUMMARY>
