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

<DISTANCE_CONSTRAINTS>
<TOTAL>1700</TOTAL>
<INTRA>477</INTRA>
<SEQUENTIAL>441</SEQUENTIAL>
<MEDIUM>170</MEDIUM>
<LONG>612</LONG>
<NUM_PER_RES>17.3</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>125</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1825</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>18.6</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>15.15</GROUP1>
<GROUP2>31.05</GROUP2>
<GROUP3>73.25</GROUP3>
<RMS_DIST_VIOL>0.46</RMS_DIST_VIOL>
<MAX_DIST_VIOL>6.38</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>4.05</GROUP1>
<GROUP2>4.8</GROUP2>
<RMS_DIHEDRAL_VIOL>11.64</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>111.30</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.984</RECALL><PRECISION>0.883</PRECISION><F_MEASURE>0.931</F_MEASURE><DP_SCORE>0.809</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.5</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.0</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.0</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.44</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.04</PROCHECK_G_ALL>
<VERIFY3D>0.47</VERIFY3D>
<PROSAII_NEG>0.43</PROSAII_NEG>
<MAGE_CLASH>3.37
</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>0.0207</VERIFY3D>
<PROSAII_NEG>0.0469</PROSAII_NEG>
<MAGE_CLASH>1.4296
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.42</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.24</PROCHECK_G_ALL>
<VERIFY3D>0.16</VERIFY3D>
<PROSAII_NEG>-0.91</PROSAII_NEG>
<MAGE_CLASH>0.95
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.51
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>94.9%</MOST_FAVORED>
<ADDID_ALLOWED>3.8%</ADDID_ALLOWED>
<GEN_ALLOWED>0.2%</GEN_ALLOWED>
<DISALLOWED>1.1%</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>1A-35A,37A-78A,83A-93A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>2A-33A,38A-78A,83A-94A</SEL_RES>

</SUMMARY>
