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

<DISTANCE_CONSTRAINTS>
<TOTAL>1513</TOTAL>
<INTRA>373</INTRA>
<SEQUENTIAL>424</SEQUENTIAL>
<MEDIUM>206</MEDIUM>
<LONG>510</LONG>
<NUM_PER_RES>11.2</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>660</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2173</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>16.1</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>3.8</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>18.05</GROUP1>
<GROUP2>29.85</GROUP2>
<GROUP3>75.7</GROUP3>
<RMS_DIST_VIOL>0.76</RMS_DIST_VIOL>
<MAX_DIST_VIOL>9.96</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>21.55</GROUP1>
<GROUP2>11.2</GROUP2>
<RMS_DIHEDRAL_VIOL>2.68</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>81.00</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RMSD>
<ALL>
<BACKBONE_ATOMS>5.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>6.1</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>1.0</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.4</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>1.0</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.4</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.01</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.20</PROCHECK_G_ALL>
<VERIFY3D>0.42</VERIFY3D>
<PROSAII_NEG>0.54</PROSAII_NEG>
<MAGE_CLASH>4.42
</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>0.0261</VERIFY3D>
<PROSAII_NEG>0.0441</PROSAII_NEG>
<MAGE_CLASH>1.1185
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>0.35</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>1.18</PROCHECK_G_ALL>
<VERIFY3D>-0.64</VERIFY3D>
<PROSAII_NEG>-0.45</PROSAII_NEG>
<MAGE_CLASH>0.77
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<RAMACHANDRAN>
<MOST_FAVORED>93.8%</MOST_FAVORED>
<ADDID_ALLOWED>6.1%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.9%</MOST_FAVORED>
<ALLOWED>1.1%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>9A-17A,20A-41A,58A-65A,67A-74A,78A-88A,93A-106A,115A-125A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>9A-17A,20A-41A,58A-74A,78A-88A,93A-106A,115A-125A</SEL_RES>

</SUMMARY>
