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

<DISTANCE_CONSTRAINTS>
<TOTAL>712</TOTAL>
<INTRA>80</INTRA>
<SEQUENTIAL>245</SEQUENTIAL>
<MEDIUM>236</MEDIUM>
<LONG>151</LONG>
<NUM_PER_RES>9.6</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>90</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>802</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>10.8</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>2.0</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>0</GROUP1>
<GROUP2>0</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.10</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.55</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.17</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>3.30</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.934</RECALL><PRECISION>0.923</PRECISION><F_MEASURE>0.929</F_MEASURE><DP_SCORE>0.773</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.3</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.4</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.4</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.09</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.04</PROCHECK_G_ALL>
<VERIFY3D>0.25</VERIFY3D>
<PROSAII_NEG>0.62</PROSAII_NEG>
<MAGE_CLASH>13.04
</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>0.0310</VERIFY3D>
<PROSAII_NEG>0.1035</PROSAII_NEG>
<MAGE_CLASH>2.4869
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>0.67</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.24</PROCHECK_G_ALL>
<VERIFY3D>-3.37</VERIFY3D>
<PROSAII_NEG>-0.12</PROSAII_NEG>
<MAGE_CLASH>-0.71
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>0.99
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>94.6%</MOST_FAVORED>
<ADDID_ALLOWED>5.4%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>95.8%</MOST_FAVORED>
<ALLOWED>4.2%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>11A-13A,18A-54A,62A-77A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>11A-13A,18A-54A,62A-77A</SEL_RES>

</SUMMARY>
