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

<DISTANCE_CONSTRAINTS>
<TOTAL>1137</TOTAL>
<INTRA>168</INTRA>
<SEQUENTIAL>337</SEQUENTIAL>
<MEDIUM>217</MEDIUM>
<LONG>415</LONG>
<NUM_PER_RES>13.1</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>54</TOTAL>
<LONG>32</LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>179</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1370</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>15.7</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>5.1</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>10</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>3.1</GROUP1>
<GROUP2>1.4</GROUP2>
<GROUP3>0.1</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.54</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>4.3</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.46</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>9.10</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.931</RECALL><PRECISION>0.778</PRECISION><F_MEASURE>0.848</F_MEASURE><DP_SCORE>0.759</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.8</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.8</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.8</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.67</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.66</PROCHECK_G_ALL>
<VERIFY3D>0.31</VERIFY3D>
<PROSAII_NEG>0.35</PROSAII_NEG>
<MAGE_CLASH>31.68
</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>0.0151</VERIFY3D>
<PROSAII_NEG>0.0536</PROSAII_NEG>
<MAGE_CLASH>4.9836
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-2.32</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-3.90</PROCHECK_G_ALL>
<VERIFY3D>-2.41</VERIFY3D>
<PROSAII_NEG>-1.24</PROSAII_NEG>
<MAGE_CLASH>-3.91
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.90
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>87.1%</MOST_FAVORED>
<ADDID_ALLOWED>10.6%</ADDID_ALLOWED>
<GEN_ALLOWED>1.7%</GEN_ALLOWED>
<DISALLOWED>0.6%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>91.4%</MOST_FAVORED>
<ALLOWED>7.8%</ALLOWED>
<DISALLOWED>0.8%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>14A-18A,28A-32A,38A-50A,53A-67A,70A-82A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>14A-18A,28A-32A,38A-50A,53A-67A,70A-82A</SEL_RES>

</SUMMARY>
