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

<DISTANCE_CONSTRAINTS>
<TOTAL>1226</TOTAL>
<INTRA>263</INTRA>
<SEQUENTIAL>374</SEQUENTIAL>
<MEDIUM>324</MEDIUM>
<LONG>265</LONG>
<NUM_PER_RES>11.2</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>84</TOTAL>
<LONG>0 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>128</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1438</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>13.2</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>2.4</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>14</GROUP1>
<GROUP2>25.15</GROUP2>
<GROUP3>52.45</GROUP3>
<RMS_DIST_VIOL>0.76</RMS_DIST_VIOL>
<MAX_DIST_VIOL>8.09</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1</GROUP1>
<GROUP2>0.95</GROUP2>
<RMS_DIHEDRAL_VIOL>1.70</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>30.90</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.944444</RECALL><PRECISION>0.906255</PRECISION><F_MEASURE>0.925</F_MEASURE><DP_SCORE>0.743478</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.6</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.1</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.1</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.52</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.56</PROCHECK_G_ALL>
<VERIFY3D>0.41</VERIFY3D>
<PROSAII_NEG>0.88</PROSAII_NEG>
<MAGE_CLASH>3.71
</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>0.0209</VERIFY3D>
<PROSAII_NEG>0.0702</PROSAII_NEG>
<MAGE_CLASH>1.8920
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>2.36</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>3.31</PROCHECK_G_ALL>
<VERIFY3D>-0.80</VERIFY3D>
<PROSAII_NEG>0.95</PROSAII_NEG>
<MAGE_CLASH>0.89
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>0.92
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>97.0%</MOST_FAVORED>
<ADDID_ALLOWED>3.0%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.6%</MOST_FAVORED>
<ALLOWED>1.4%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>11A-19A,31A-63A,67A-83A,95A-108A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>11A-19A,31A-63A,67A-83A,95A-108A</SEL_RES>

</SUMMARY>
