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

<DISTANCE_CONSTRAINTS>
<TOTAL>870</TOTAL>
<INTRA>188</INTRA>
<SEQUENTIAL>232</SEQUENTIAL>
<MEDIUM>271</MEDIUM>
<LONG>179</LONG>
<NUM_PER_RES>11.9</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>96</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>966</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>13.2</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>2.5</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>25.85</GROUP1>
<GROUP2>25.35</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.08</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.49</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>13</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>1.40</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>9.50</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.714</RECALL><PRECISION>0.651</PRECISION><F_MEASURE>0.681</F_MEASURE><DP_SCORE>0.547</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.7</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.14</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.07</PROCHECK_G_ALL>
<VERIFY3D>0.18</VERIFY3D>
<PROSAII_NEG>0.13</PROSAII_NEG>
<MAGE_CLASH>27.34
</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>0.0217</VERIFY3D>
<PROSAII_NEG>0.0451</PROSAII_NEG>
<MAGE_CLASH>3.2180
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>0.87</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.41</PROCHECK_G_ALL>
<VERIFY3D>-4.49</VERIFY3D>
<PROSAII_NEG>-2.15</PROSAII_NEG>
<MAGE_CLASH>-3.17
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>2.56
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>88.9%</MOST_FAVORED>
<ADDID_ALLOWED>7.2%</ADDID_ALLOWED>
<GEN_ALLOWED>4.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>89.1%</MOST_FAVORED>
<ALLOWED>7.3%</ALLOWED>
<DISALLOWED>3.6%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>7A-20A,24A-42A,47A-69A,7B-19B,22B-42B,47B-68B</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>7A-20A,24A-42A,47A-69A,7B-19B,22B-42B,47B-68B</SEL_RES>

</SUMMARY>
