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

<DISTANCE_CONSTRAINTS>
<TOTAL>2386</TOTAL>
<INTRA>572</INTRA>
<SEQUENTIAL>588</SEQUENTIAL>
<MEDIUM>594</MEDIUM>
<LONG>632</LONG>
<NUM_PER_RES>23.6</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>228</TOTAL>
<LONG>32 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>336</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2950</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>29.2</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>18.8</GROUP1>
<GROUP2>29.25</GROUP2>
<GROUP3>56.8</GROUP3>
<RMS_DIST_VIOL>0.32</RMS_DIST_VIOL>
<MAX_DIST_VIOL>6.78</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>4.5</GROUP1>
<GROUP2>2.95</GROUP2>
<RMS_DIHEDRAL_VIOL>1.88</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>40.70</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.951</RECALL><PRECISION>0.842</PRECISION><F_MEASURE>0.893</F_MEASURE><DP_SCORE>0.765</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.7</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>1.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.6</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>1.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.6</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.31</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.42</PROCHECK_G_ALL>
<VERIFY3D>0.42</VERIFY3D>
<PROSAII_NEG>0.86</PROSAII_NEG>
<MAGE_CLASH>2.76
</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>0.0176</VERIFY3D>
<PROSAII_NEG>0.0560</PROSAII_NEG>
<MAGE_CLASH>1.3629
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>1.53</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>2.48</PROCHECK_G_ALL>
<VERIFY3D>-0.64</VERIFY3D>
<PROSAII_NEG>0.87</PROSAII_NEG>
<MAGE_CLASH>1.05
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>2.18
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>98.0%</MOST_FAVORED>
<ADDID_ALLOWED>2.0%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.7%</MOST_FAVORED>
<ALLOWED>0.3%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>7A-22A,26A-65A,68A-101A,7B-22B,26B-65B,68B-101B</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>7A-22A,26A-65A,68A-101A,7B-22B,26B-100B</SEL_RES>

</SUMMARY>
