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

<DISTANCE_CONSTRAINTS>
<TOTAL>2064</TOTAL>
<INTRA>388</INTRA>
<SEQUENTIAL>611</SEQUENTIAL>
<MEDIUM>440</MEDIUM>
<LONG>625</LONG>
<NUM_PER_RES>17.8</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>128</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2192</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>18.9</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>5.4</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>6.35</GROUP1>
<GROUP2>2.9</GROUP2>
<GROUP3>1.85</GROUP3>
<RMS_DIST_VIOL>0.03</RMS_DIST_VIOL>
<MAX_DIST_VIOL>1.95</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1.05</GROUP1>
<GROUP2>0.45</GROUP2>
<RMS_DIHEDRAL_VIOL>1.02</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>23.60</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.905</RECALL><PRECISION>0.926</PRECISION><F_MEASURE>0.915</F_MEASURE><DP_SCORE>0.737</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.2</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.7</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.22</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.02</PROCHECK_G_ALL>
<VERIFY3D>0.30</VERIFY3D>
<PROSAII_NEG>0.48</PROSAII_NEG>
<MAGE_CLASH>5.33
</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>0.0339</VERIFY3D>
<PROSAII_NEG>0.0455</PROSAII_NEG>
<MAGE_CLASH>1.6486
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-0.55</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.12</PROCHECK_G_ALL>
<VERIFY3D>-2.57</VERIFY3D>
<PROSAII_NEG>-0.70</PROSAII_NEG>
<MAGE_CLASH>0.61
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.79
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>90.7%</MOST_FAVORED>
<ADDID_ALLOWED>9.3%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>96.9%</MOST_FAVORED>
<ALLOWED>2.6%</ALLOWED>
<DISALLOWED>0.5%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>6A-56A,60A-70A,74A-108A,110A-114A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>6A-55A,60A-70A,74A-108A,110A-114A</SEL_RES>

</SUMMARY>
