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

<DISTANCE_CONSTRAINTS>
<TOTAL>2719</TOTAL>
<INTRA>523</INTRA>
<SEQUENTIAL>686</SEQUENTIAL>
<MEDIUM>271</MEDIUM>
<LONG>1239</LONG>
<NUM_PER_RES>25.2</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>166</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2885</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>26.7</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>11.5</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>30.7</GROUP1>
<GROUP2>73.55</GROUP2>
<GROUP3>168.05</GROUP3>
<RMS_DIST_VIOL>0.50</RMS_DIST_VIOL>
<MAX_DIST_VIOL>8.77</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>32.15</GROUP1>
<GROUP2>26.9</GROUP2>
<RMS_DIHEDRAL_VIOL>8.28</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>58.10</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.958</RECALL><PRECISION>0.946</PRECISION><F_MEASURE>0.952</F_MEASURE><DP_SCORE>0.854</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.8</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>-0.02</PROCHECK_G_ALL>
<VERIFY3D>0.43</VERIFY3D>
<PROSAII_NEG>0.42</PROSAII_NEG>
<MAGE_CLASH>2.90
</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>0.0161</VERIFY3D>
<PROSAII_NEG>0.0372</PROSAII_NEG>
<MAGE_CLASH>0.7901
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.18</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.12</PROCHECK_G_ALL>
<VERIFY3D>-0.48</VERIFY3D>
<PROSAII_NEG>-0.95</PROSAII_NEG>
<MAGE_CLASH>1.03
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.40
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>91.6%</MOST_FAVORED>
<ADDID_ALLOWED>8.4%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.3%</MOST_FAVORED>
<ALLOWED>1.7%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>1A-107A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>2A-107A</SEL_RES>

</SUMMARY>
