<?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>8.3</GROUP1>
<GROUP2>2.15</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.02</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.43</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>22.05</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.45</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>9.60</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.908</RECALL><PRECISION>0.93</PRECISION><F_MEASURE>0.919</F_MEASURE><DP_SCORE>0.629</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>5.2</BACKBONE_ATOMS>
<HEAVY_ATOMS>5.9</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>3.0</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.4</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>3.0</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.4</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.36</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.47</PROCHECK_G_ALL>
<VERIFY3D>0.18</VERIFY3D>
<PROSAII_NEG>0.02</PROSAII_NEG>
<MAGE_CLASH>35.10
</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>0.0299</VERIFY3D>
<PROSAII_NEG>0.0442</PROSAII_NEG>
<MAGE_CLASH>3.8464
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.10</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-2.78</PROCHECK_G_ALL>
<VERIFY3D>-4.49</VERIFY3D>
<PROSAII_NEG>-2.61</PROSAII_NEG>
<MAGE_CLASH>-4.50
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>2.73
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>93.5%</MOST_FAVORED>
<ADDID_ALLOWED>5.0%</ADDID_ALLOWED>
<GEN_ALLOWED>1.5%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>94.9%</MOST_FAVORED>
<ALLOWED>3.4%</ALLOWED>
<DISALLOWED>1.6%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>4A-23A,63A-70A,73A-78A,90A-97A,100A-112A,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>
