<?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>25.8</GROUP1>
<GROUP2>45.3</GROUP2>
<GROUP3>147.25</GROUP3>
<RMS_DIST_VIOL>0.58</RMS_DIST_VIOL>
<MAX_DIST_VIOL>8.09</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>11.2</GROUP1>
<GROUP2>8.4</GROUP2>
<RMS_DIHEDRAL_VIOL>5.11</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>44.50</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.945</RECALL><PRECISION>0.915</PRECISION><F_MEASURE>0.93</F_MEASURE><DP_SCORE>0.756</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>4.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>4.7</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.4</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>1.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.5</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.44</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.04</PROCHECK_G_ALL>
<VERIFY3D>0.35</VERIFY3D>
<PROSAII_NEG>0.32</PROSAII_NEG>
<MAGE_CLASH>6.51
</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>0.0343</VERIFY3D>
<PROSAII_NEG>0.0972</PROSAII_NEG>
<MAGE_CLASH>2.1441
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.42</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.24</PROCHECK_G_ALL>
<VERIFY3D>-1.77</VERIFY3D>
<PROSAII_NEG>-1.36</PROSAII_NEG>
<MAGE_CLASH>0.41
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>2.39
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>86.3%</MOST_FAVORED>
<ADDID_ALLOWED>13.7%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>97%</MOST_FAVORED>
<ALLOWED>2.9%</ALLOWED>
<DISALLOWED>0.1%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>10A-21A,25A-34A,40A-46A,57A-73A,10B-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>
