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

<DISTANCE_CONSTRAINTS>
<TOTAL>1844</TOTAL>
<INTRA>468</INTRA>
<SEQUENTIAL>556</SEQUENTIAL>
<MEDIUM>140</MEDIUM>
<LONG>680</LONG>
<NUM_PER_RES>22.5</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>112</TOTAL>
<LONG>64 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>172</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2128</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>26.0</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>9.1</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>3.25</GROUP1>
<GROUP2>0.2</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.34</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>5</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.35</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>4.20</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.966</RECALL><PRECISION>0.926</PRECISION><F_MEASURE>0.946</F_MEASURE><DP_SCORE>0.835</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.5</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.1</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.1</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.38</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.32</PROCHECK_G_ALL>
<VERIFY3D>0.27</VERIFY3D>
<PROSAII_NEG>0.24</PROSAII_NEG>
<MAGE_CLASH>25.93
</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>0.0211</VERIFY3D>
<PROSAII_NEG>0.0505</PROSAII_NEG>
<MAGE_CLASH>4.4772
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.18</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-1.89</PROCHECK_G_ALL>
<VERIFY3D>-3.05</VERIFY3D>
<PROSAII_NEG>-1.70</PROSAII_NEG>
<MAGE_CLASH>-2.92
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>2.11
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>92.6%</MOST_FAVORED>
<ADDID_ALLOWED>7.4%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>97%</MOST_FAVORED>
<ALLOWED>3%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>8A-21A,25A-34A,40A-46A,57A-73A,8B-21B,25B-34B,40B-47B,57B-73B</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>8A-21A,25A-34A,40A-46A,57A-73A,8B-21B,25B-34B,40B-47B,57B-73B</SEL_RES>

</SUMMARY>
