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

<DISTANCE_CONSTRAINTS>
<TOTAL>2531</TOTAL>
<INTRA>433</INTRA>
<SEQUENTIAL>592</SEQUENTIAL>
<MEDIUM>536</MEDIUM>
<LONG>970</LONG>
<NUM_PER_RES>30.9</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>116</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2647</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>32.3</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>11.8</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>40.65</GROUP1>
<GROUP2>97.45</GROUP2>
<GROUP3>260.35</GROUP3>
<RMS_DIST_VIOL>0.74</RMS_DIST_VIOL>
<MAX_DIST_VIOL>7.15</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>11.35</GROUP1>
<GROUP2>3.5</GROUP2>
<RMS_DIHEDRAL_VIOL>3.93</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>59.30</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.876</RECALL><PRECISION>0.845</PRECISION><F_MEASURE>0.86</F_MEASURE><DP_SCORE>0.773</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.5</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.0</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.0</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.14</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.15</PROCHECK_G_ALL>
<VERIFY3D>0.46</VERIFY3D>
<PROSAII_NEG>0.64</PROSAII_NEG>
<MAGE_CLASH>5.86
</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>0.0169</VERIFY3D>
<PROSAII_NEG>0.0583</PROSAII_NEG>
<MAGE_CLASH>1.3034
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-0.24</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.89</PROCHECK_G_ALL>
<VERIFY3D>0.00</VERIFY3D>
<PROSAII_NEG>-0.04</PROSAII_NEG>
<MAGE_CLASH>0.52
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>2.17
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>91.7%</MOST_FAVORED>
<ADDID_ALLOWED>8.2%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.6%</MOST_FAVORED>
<ALLOWED>0.4%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>4A-14A,18A-28A,31A-40A,43A-82A,4B-14B,18B-28B,31B-40B,43B-82B</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>4A-15A,18A-28A,31A-41A,43A-82A,3B-15B,18B-41B,43B-77B</SEL_RES>

</SUMMARY>
