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

<DISTANCE_CONSTRAINTS>
<TOTAL>547</TOTAL>
<INTRA>119</INTRA>
<SEQUENTIAL>148</SEQUENTIAL>
<MEDIUM>57</MEDIUM>
<LONG>223</LONG>
<NUM_PER_RES>9.0</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>0</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>547</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>9.0</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>3.7</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>1.95</GROUP1>
<GROUP2>1.85</GROUP2>
<GROUP3>0.7</GROUP3>
<RMS_DIST_VIOL>0.06</RMS_DIST_VIOL>
<MAX_DIST_VIOL>2.02</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<RPF>
<RECALL>0.972</RECALL><PRECISION>0.862</PRECISION><F_MEASURE>0.914</F_MEASURE><DP_SCORE>0.755</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.3</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.61</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.38</PROCHECK_G_ALL>
<VERIFY3D>0.20</VERIFY3D>
<PROSAII_NEG>0.15</PROSAII_NEG>
<MAGE_CLASH>18.82
</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>0.0399</VERIFY3D>
<PROSAII_NEG>0.0729</PROSAII_NEG>
<MAGE_CLASH>4.2237
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-2.08</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-2.25</PROCHECK_G_ALL>
<VERIFY3D>-4.17</VERIFY3D>
<PROSAII_NEG>-2.07</PROSAII_NEG>
<MAGE_CLASH>-1.70
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.56
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>89.2%</MOST_FAVORED>
<ADDID_ALLOWED>10.8%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>96.3%</MOST_FAVORED>
<ALLOWED>3.7%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>3A-18A,20A-27A,31A-36A,41A-55A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>3A-18A,20A-27A,31A-36A,41A-55A</SEL_RES>

</SUMMARY>
