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

<DISTANCE_CONSTRAINTS>
<TOTAL>1792</TOTAL>
<INTRA>395</INTRA>
<SEQUENTIAL>431</SEQUENTIAL>
<MEDIUM>486</MEDIUM>
<LONG>480</LONG>
<NUM_PER_RES>18.9</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>165</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1957</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>20.6</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>5.1</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>3</GROUP1>
<GROUP2>0.85</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.38</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>3.55</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.49</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>6.50</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.954</RECALL><PRECISION>0.899</PRECISION><F_MEASURE>0.926</F_MEASURE><DP_SCORE>0.813</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.5</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.7</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.7</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.17</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.13</PROCHECK_G_ALL>
<VERIFY3D>0.41</VERIFY3D>
<PROSAII_NEG>0.98</PROSAII_NEG>
<MAGE_CLASH>14.70
</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>0.0176</VERIFY3D>
<PROSAII_NEG>0.0400</PROSAII_NEG>
<MAGE_CLASH>2.4173
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>0.98</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.77</PROCHECK_G_ALL>
<VERIFY3D>-0.80</VERIFY3D>
<PROSAII_NEG>1.36</PROSAII_NEG>
<MAGE_CLASH>-1.00
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>0.97
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>94.1%</MOST_FAVORED>
<ADDID_ALLOWED>5.9%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>96.9%</MOST_FAVORED>
<ALLOWED>3.1%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>2A-94A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>2A-94A</SEL_RES>

</SUMMARY>
