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

<DISTANCE_CONSTRAINTS>
<TOTAL>1571</TOTAL>
<INTRA>333</INTRA>
<SEQUENTIAL>481</SEQUENTIAL>
<MEDIUM>425</MEDIUM>
<LONG>332</LONG>
<NUM_PER_RES>14.7</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>399</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1970</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>18.4</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>3.1</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>16.2</GROUP1>
<GROUP2>33.5</GROUP2>
<GROUP3>61.95</GROUP3>
<RMS_DIST_VIOL>0.93</RMS_DIST_VIOL>
<MAX_DIST_VIOL>14.48</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>12.55</GROUP1>
<GROUP2>7.4</GROUP2>
<RMS_DIHEDRAL_VIOL>7.69</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>149.20</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.932</RECALL><PRECISION>0.949</PRECISION><F_MEASURE>0.941</F_MEASURE><DP_SCORE>0.683</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>9.0</BACKBONE_ATOMS>
<HEAVY_ATOMS>9.3</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>1.2</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.6</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>1.2</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.6</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.21</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.31</PROCHECK_G_ALL>
<VERIFY3D>0.37</VERIFY3D>
<PROSAII_NEG>0.60</PROSAII_NEG>
<MAGE_CLASH>3.98
</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>0.0441</VERIFY3D>
<PROSAII_NEG>0.0538</PROSAII_NEG>
<MAGE_CLASH>1.4780
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>1.14</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>1.83</PROCHECK_G_ALL>
<VERIFY3D>-1.44</VERIFY3D>
<PROSAII_NEG>-0.21</PROSAII_NEG>
<MAGE_CLASH>0.84
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.55
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>92.2%</MOST_FAVORED>
<ADDID_ALLOWED>7.8%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>97.9%</MOST_FAVORED>
<ALLOWED>2%</ALLOWED>
<DISALLOWED>0.1%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>24A-44A,48A-82A,84A-102A,105A-113A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>24A-44A,48A-82A,84A-102A,105A-113A</SEL_RES>

</SUMMARY>
