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

<DISTANCE_CONSTRAINTS>
<TOTAL>1540</TOTAL>
<INTRA>324</INTRA>
<SEQUENTIAL>413</SEQUENTIAL>
<MEDIUM>321</MEDIUM>
<LONG>482</LONG>
<NUM_PER_RES>19.7</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>231</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1771</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>22.7</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>6.2</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>0.65</GROUP1>
<GROUP2>0</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.00</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.13</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.1</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.05</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>1.40</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.963</RECALL><PRECISION>0.911</PRECISION><F_MEASURE>0.936</F_MEASURE><DP_SCORE>0.791</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.6</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.7</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.7</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.38</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.71</PROCHECK_G_ALL>
<VERIFY3D>0.38</VERIFY3D>
<PROSAII_NEG>0.55</PROSAII_NEG>
<MAGE_CLASH>49.04
</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>0.0325</VERIFY3D>
<PROSAII_NEG>0.0552</PROSAII_NEG>
<MAGE_CLASH>5.9118
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.18</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-4.20</PROCHECK_G_ALL>
<VERIFY3D>-1.28</VERIFY3D>
<PROSAII_NEG>-0.41</PROSAII_NEG>
<MAGE_CLASH>-6.89
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.42
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>87.4%</MOST_FAVORED>
<ADDID_ALLOWED>12.6%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>92.8%</MOST_FAVORED>
<ALLOWED>6.2%</ALLOWED>
<DISALLOWED>1%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>3A-7A,13A-34A,38A-55A,58A-74A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>3A-7A,13A-34A,38A-55A,58A-74A</SEL_RES>

</SUMMARY>
