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

<DISTANCE_CONSTRAINTS>
<TOTAL>1790</TOTAL>
<INTRA>497</INTRA>
<SEQUENTIAL>465</SEQUENTIAL>
<MEDIUM>399</MEDIUM>
<LONG>429</LONG>
<NUM_PER_RES>12.7</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>116</TOTAL>
<LONG>4 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>196</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2102</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>14.9</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>5.7</GROUP1>
<GROUP2>3.65</GROUP2>
<GROUP3>1.35</GROUP3>
<RMS_DIST_VIOL>0.04</RMS_DIST_VIOL>
<MAX_DIST_VIOL>4.31</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.55</GROUP1>
<GROUP2>0.4</GROUP2>
<RMS_DIHEDRAL_VIOL>0.77</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>19.70</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.972</RECALL><PRECISION>0.932</PRECISION><F_MEASURE>0.952</F_MEASURE><DP_SCORE>0.805</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>4.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>5.1</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.3</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.3</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.34</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.40</PROCHECK_G_ALL>
<VERIFY3D>0.41</VERIFY3D>
<PROSAII_NEG>0.70</PROSAII_NEG>
<MAGE_CLASH>8.65
</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>0.0322</VERIFY3D>
<PROSAII_NEG>0.0554</PROSAII_NEG>
<MAGE_CLASH>3.7955
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>1.65</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>2.37</PROCHECK_G_ALL>
<VERIFY3D>-0.80</VERIFY3D>
<PROSAII_NEG>0.21</PROSAII_NEG>
<MAGE_CLASH>0.04
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.38
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>96.4%</MOST_FAVORED>
<ADDID_ALLOWED>3.6%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.2%</MOST_FAVORED>
<ALLOWED>0.8%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>14A-18A,20A-38A,48A-78A,82A-99A,102A-143A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>14A-18A,20A-38A,48A-78A,83A-99A,102A-143A</SEL_RES>

</SUMMARY>
