<?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>7.55</GROUP1>
<GROUP2>2.2</GROUP2>
<GROUP3>0.4</GROUP3>
<RMS_DIST_VIOL>0.02</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.78</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1.05</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.32</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>6.10</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.969</RECALL><PRECISION>0.909</PRECISION><F_MEASURE>0.938</F_MEASURE><DP_SCORE>0.798</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>4.0</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.0</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.0</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.22</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.04</PROCHECK_G_ALL>
<VERIFY3D>0.32</VERIFY3D>
<PROSAII_NEG>0.26</PROSAII_NEG>
<MAGE_CLASH>8.90
</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>0.0355</VERIFY3D>
<PROSAII_NEG>0.0862</PROSAII_NEG>
<MAGE_CLASH>2.3971
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-0.55</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.24</PROCHECK_G_ALL>
<VERIFY3D>-2.25</VERIFY3D>
<PROSAII_NEG>-1.61</PROSAII_NEG>
<MAGE_CLASH>-0.00
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>2.04
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>94.0%</MOST_FAVORED>
<ADDID_ALLOWED>5.9%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99%</MOST_FAVORED>
<ALLOWED>0.9%</ALLOWED>
<DISALLOWED>0.1%</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-46B,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>
