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

<DISTANCE_CONSTRAINTS>
<TOTAL>1540</TOTAL>
<INTRA>324</INTRA>
<SEQUENTIAL>413</SEQUENTIAL>
<MEDIUM>321</MEDIUM>
<LONG>482</LONG>
<NUM_PER_RES>19.7</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>231</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1771</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>22.7</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>6.2</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>19.9</GROUP1>
<GROUP2>38.9</GROUP2>
<GROUP3>49.05</GROUP3>
<RMS_DIST_VIOL>0.68</RMS_DIST_VIOL>
<MAX_DIST_VIOL>8.90</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>6.9</GROUP1>
<GROUP2>12.9</GROUP2>
<RMS_DIHEDRAL_VIOL>13.57</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>139.50</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.941</RECALL><PRECISION>0.921</PRECISION><F_MEASURE>0.931</F_MEASURE><DP_SCORE>0.768</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.9</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.15</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.08</PROCHECK_G_ALL>
<VERIFY3D>0.41</VERIFY3D>
<PROSAII_NEG>0.66</PROSAII_NEG>
<MAGE_CLASH>13.52
</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>0.0667</PROSAII_NEG>
<MAGE_CLASH>3.1460
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-0.28</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.47</PROCHECK_G_ALL>
<VERIFY3D>-0.80</VERIFY3D>
<PROSAII_NEG>0.04</PROSAII_NEG>
<MAGE_CLASH>-0.79
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.18
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>93.5%</MOST_FAVORED>
<ADDID_ALLOWED>6.5%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98%</MOST_FAVORED>
<ALLOWED>2%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>3A-7A,13A-35A,38A-55A,58A-74A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>3A-7A,13A-34A,38A-55A,58A-74A</SEL_RES>

</SUMMARY>
