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

<DISTANCE_CONSTRAINTS>
<TOTAL>3081</TOTAL>
<INTRA>557</INTRA>
<SEQUENTIAL>703</SEQUENTIAL>
<MEDIUM>1017</MEDIUM>
<LONG>804</LONG>
<NUM_PER_RES>32.4</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>80</TOTAL>
<LONG>0 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>143</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>3304</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>34.8</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>8.5</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>3</GROUP1>
<GROUP2>0.1</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.30</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>7.2</GROUP1>
<GROUP2>0.65</GROUP2>
<RMS_DIHEDRAL_VIOL>8.48</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>128.90</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.931</RECALL><PRECISION>0.971</PRECISION><F_MEASURE>0.95</F_MEASURE><DP_SCORE>0.828</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.2</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>0.39</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.22</PROCHECK_G_ALL>
<VERIFY3D>0.35</VERIFY3D>
<PROSAII_NEG>0.81</PROSAII_NEG>
<MAGE_CLASH>12.91
</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>0.0182</VERIFY3D>
<PROSAII_NEG>0.0337</PROSAII_NEG>
<MAGE_CLASH>1.9545
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>1.85</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>1.30</PROCHECK_G_ALL>
<VERIFY3D>-1.77</VERIFY3D>
<PROSAII_NEG>0.66</PROSAII_NEG>
<MAGE_CLASH>-0.69
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>0.68
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>91.7%</MOST_FAVORED>
<ADDID_ALLOWED>8.2%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>97.1%</MOST_FAVORED>
<ALLOWED>2.9%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>2A-92A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>2A-92A</SEL_RES>

</SUMMARY>
