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

<DISTANCE_CONSTRAINTS>
<TOTAL>1362</TOTAL>
<INTRA>260</INTRA>
<SEQUENTIAL>478</SEQUENTIAL>
<MEDIUM>144</MEDIUM>
<LONG>480</LONG>
<NUM_PER_RES>9.1</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>656</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2018</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>13.5</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>3.2</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>10.35</GROUP1>
<GROUP2>17.45</GROUP2>
<GROUP3>41.4</GROUP3>
<RMS_DIST_VIOL>0.49</RMS_DIST_VIOL>
<MAX_DIST_VIOL>9.11</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>17.95</GROUP1>
<GROUP2>20.9</GROUP2>
<RMS_DIHEDRAL_VIOL>7.32</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>111.50</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.893</RECALL><PRECISION>0.943</PRECISION><F_MEASURE>0.917</F_MEASURE><DP_SCORE>0.62</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>5.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>6.2</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>3.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.7</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>3.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.7</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.33</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.05</PROCHECK_G_ALL>
<VERIFY3D>0.28</VERIFY3D>
<PROSAII_NEG>0.14</PROSAII_NEG>
<MAGE_CLASH>5.78
</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>0.0880</PROSAII_NEG>
<MAGE_CLASH>1.5761
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-0.98</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.30</PROCHECK_G_ALL>
<VERIFY3D>-2.89</VERIFY3D>
<PROSAII_NEG>-2.11</PROSAII_NEG>
<MAGE_CLASH>0.53
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>2.65
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>90.3%</MOST_FAVORED>
<ADDID_ALLOWED>7.7%</ADDID_ALLOWED>
<GEN_ALLOWED>2.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>96.3%</MOST_FAVORED>
<ALLOWED>2.4%</ALLOWED>
<DISALLOWED>1.3%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>4A-23A,65A-70A,73A-78A,90A-97A,102A-109A,116A-124A,135A-146A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>4A-23A,63A-70A,73A-78A,90A-97A,100A-112A,116A-124A,135A-146A</SEL_RES>

</SUMMARY>
