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

<DISTANCE_CONSTRAINTS>
<TOTAL>1011</TOTAL>
<INTRA>81</INTRA>
<SEQUENTIAL>220</SEQUENTIAL>
<MEDIUM>239</MEDIUM>
<LONG>471</LONG>
<NUM_PER_RES>6.0</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>92</TOTAL>
<LONG>34 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>288</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1391</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>8.3</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>3.0</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>29.75</GROUP1>
<GROUP2>14.6</GROUP2>
<GROUP3>1.2</GROUP3>
<RMS_DIST_VIOL>0.08</RMS_DIST_VIOL>
<MAX_DIST_VIOL>2.20</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>30.1</GROUP1>
<GROUP2>1.75</GROUP2>
<RMS_DIHEDRAL_VIOL>1.78</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>21.90</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.706</RECALL><PRECISION>0.949</PRECISION><F_MEASURE>0.809</F_MEASURE><DP_SCORE>0.686</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>4.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>5.2</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.3</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.3</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.46</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.29</PROCHECK_G_ALL>
<VERIFY3D>0.40</VERIFY3D>
<PROSAII_NEG>0.41</PROSAII_NEG>
<MAGE_CLASH>19.10
</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>0.0204</VERIFY3D>
<PROSAII_NEG>0.0449</PROSAII_NEG>
<MAGE_CLASH>1.8075
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.49</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-1.71</PROCHECK_G_ALL>
<VERIFY3D>-0.96</VERIFY3D>
<PROSAII_NEG>-0.99</PROSAII_NEG>
<MAGE_CLASH>-1.75
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>3.08
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>88.2%</MOST_FAVORED>
<ADDID_ALLOWED>11.6%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>94.3%</MOST_FAVORED>
<ALLOWED>5.1%</ALLOWED>
<DISALLOWED>0.6%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>21A-36A,42A-82A,84A-139A,147A-175A,184A-195A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>21A-36A,42A-82A,84A-139A,147A-175A,184A-195A</SEL_RES>

</SUMMARY>
