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

<DISTANCE_CONSTRAINTS>
<TOTAL>822</TOTAL>
<INTRA>249</INTRA>
<SEQUENTIAL>204</SEQUENTIAL>
<MEDIUM>11</MEDIUM>
<LONG>358</LONG>
<NUM_PER_RES>13.0</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>40</TOTAL>
<LONG>36 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>152</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1014</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>16.1</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>6.3</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>1.1</GROUP1>
<GROUP2>0.2</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.26</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>4.05</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.41</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>6.20</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.5</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.77</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.47</PROCHECK_G_ALL>
<VERIFY3D>0.28</VERIFY3D>
<PROSAII_NEG>0.19</PROSAII_NEG>
<MAGE_CLASH>21.43
</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>0.0244</VERIFY3D>
<PROSAII_NEG>0.0575</PROSAII_NEG>
<MAGE_CLASH>3.5167
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-2.71</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-2.78</PROCHECK_G_ALL>
<VERIFY3D>-2.89</VERIFY3D>
<PROSAII_NEG>-1.90</PROSAII_NEG>
<MAGE_CLASH>-2.15
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<RAMACHANDRAN>
<MOST_FAVORED>85.4%</MOST_FAVORED>
<ADDID_ALLOWED>14.5%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>95.9%</MOST_FAVORED>
<ALLOWED>4%</ALLOWED>
<DISALLOWED>0.1%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>5A-27A,30A-40A,50A-62A,75B-98B,101B-110B,121B-133B</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>5A-27A,30A-40A,50A-62A,75B-98B,101B-110B,121B-133B</SEL_RES>

</SUMMARY>
