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

<DISTANCE_CONSTRAINTS>
<TOTAL>2481</TOTAL>
<INTRA>559</INTRA>
<SEQUENTIAL>599</SEQUENTIAL>
<MEDIUM>469</MEDIUM>
<LONG>854</LONG>
<NUM_PER_RES>30.6</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>48</TOTAL>
<LONG>12 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>84</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2613</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>32.3</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>10.7</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>4.8</GROUP1>
<GROUP2>3.25</GROUP2>
<GROUP3>0.45</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.82</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.05</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.04</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>1.40</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.98</RECALL><PRECISION>0.973</PRECISION><F_MEASURE>0.976</F_MEASURE><DP_SCORE>0.907</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>4.3</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.5</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.5</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.07</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.23</PROCHECK_G_ALL>
<VERIFY3D>0.30</VERIFY3D>
<PROSAII_NEG>0.60</PROSAII_NEG>
<MAGE_CLASH>4.30
</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>0.0336</VERIFY3D>
<PROSAII_NEG>0.0581</PROSAII_NEG>
<MAGE_CLASH>2.1318
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>0.59</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>1.36</PROCHECK_G_ALL>
<VERIFY3D>-2.57</VERIFY3D>
<PROSAII_NEG>-0.21</PROSAII_NEG>
<MAGE_CLASH>0.79
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>0.61
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>96.2%</MOST_FAVORED>
<ADDID_ALLOWED>3.8%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.1%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.5%</MOST_FAVORED>
<ALLOWED>0.3%</ALLOWED>
<DISALLOWED>0.2%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>19A-38A,44A-81A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>19A-38A,44A-81A</SEL_RES>

</SUMMARY>
