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

<DISTANCE_CONSTRAINTS>
<TOTAL>1571</TOTAL>
<INTRA>333</INTRA>
<SEQUENTIAL>481</SEQUENTIAL>
<MEDIUM>425</MEDIUM>
<LONG>332</LONG>
<NUM_PER_RES>14.7</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>399</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1970</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>18.4</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>3.1</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>18</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>13.17</GROUP1>
<GROUP2>7.78</GROUP2>
<GROUP3>3.06</GROUP3>
<RMS_DIST_VIOL>0.04</RMS_DIST_VIOL>
<MAX_DIST_VIOL>1.19</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1.28</GROUP1>
<GROUP2>1</GROUP2>
<RMS_DIHEDRAL_VIOL>0.98</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>30.00</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.947</RECALL><PRECISION>0.937</PRECISION><F_MEASURE>0.942</F_MEASURE><DP_SCORE>0.688</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>8.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>8.6</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.0</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.0</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.36</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.34</PROCHECK_G_ALL>
<VERIFY3D>0.34</VERIFY3D>
<PROSAII_NEG>0.65</PROSAII_NEG>
<MAGE_CLASH>6.72
</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>0.0401</VERIFY3D>
<PROSAII_NEG>0.0754</PROSAII_NEG>
<MAGE_CLASH>1.7549
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>1.73</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>2.01</PROCHECK_G_ALL>
<VERIFY3D>-1.93</VERIFY3D>
<PROSAII_NEG>0.00</PROSAII_NEG>
<MAGE_CLASH>0.37
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.40
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>92.6%</MOST_FAVORED>
<ADDID_ALLOWED>7.4%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.3%</MOST_FAVORED>
<ALLOWED>1.7%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>24A-44A,48A-82A,84A-102A,105A-113A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>24A-44A,48A-82A,84A-102A,105A-113A</SEL_RES>

</SUMMARY>
