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

<DISTANCE_CONSTRAINTS>
<TOTAL>3491</TOTAL>
<INTRA>668</INTRA>
<SEQUENTIAL>916</SEQUENTIAL>
<MEDIUM>808</MEDIUM>
<LONG>1099</LONG>
<NUM_PER_RES>20.8</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>76</TOTAL>
<LONG>16 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>364</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>3931</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>23.4</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>6.6</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>5.25</GROUP1>
<GROUP2>2.85</GROUP2>
<GROUP3>0.55</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.97</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>2.1</GROUP1>
<GROUP2>0.7</GROUP2>
<RMS_DIHEDRAL_VIOL>0.92</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>32.60</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.959</RECALL><PRECISION>0.953</PRECISION><F_MEASURE>0.956</F_MEASURE><DP_SCORE>0.841</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>4.1</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.05</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.19</PROCHECK_G_ALL>
<VERIFY3D>0.37</VERIFY3D>
<PROSAII_NEG>0.41</PROSAII_NEG>
<MAGE_CLASH>4.80
</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>0.0191</VERIFY3D>
<PROSAII_NEG>0.0588</PROSAII_NEG>
<MAGE_CLASH>0.9917
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>0.51</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>1.12</PROCHECK_G_ALL>
<VERIFY3D>-1.44</VERIFY3D>
<PROSAII_NEG>-0.99</PROSAII_NEG>
<MAGE_CLASH>0.70
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.74
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>93.8%</MOST_FAVORED>
<ADDID_ALLOWED>6.0%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.1%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>97%</MOST_FAVORED>
<ALLOWED>2.8%</ALLOWED>
<DISALLOWED>0.2%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>4A-17A,22A-52A,54A-73A,76A-97A,100A-102A,115A-159A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>4A-17A,22A-52A,54A-73A,76A-97A,100A-102A,115A-159A</SEL_RES>

</SUMMARY>
