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

<DISTANCE_CONSTRAINTS>
<TOTAL>1384</TOTAL>
<INTRA>0</INTRA>
<SEQUENTIAL>220</SEQUENTIAL>
<MEDIUM>774</MEDIUM>
<LONG>390</LONG>
<NUM_PER_RES>21.0</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>124</TOTAL>
<LONG>0</LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>212</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1720</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>26.1</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>5.9</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>15.7</GROUP1>
<GROUP2>31.9</GROUP2>
<GROUP3>60.8</GROUP3>
<RMS_DIST_VIOL>0.24</RMS_DIST_VIOL>
<MAX_DIST_VIOL>5.33</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.9</GROUP1>
<GROUP2>1</GROUP2>
<RMS_DIHEDRAL_VIOL>1.42</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>27.20</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.893</RECALL><PRECISION>0.95</PRECISION><F_MEASURE>0.921</F_MEASURE><DP_SCORE>0.726</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.0</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.4</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>0.43</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.55</PROCHECK_G_ALL>
<VERIFY3D>0.39</VERIFY3D>
<PROSAII_NEG>0.98</PROSAII_NEG>
<MAGE_CLASH>2.43
</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>0.0331</VERIFY3D>
<PROSAII_NEG>0.0786</PROSAII_NEG>
<MAGE_CLASH>1.4306
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>2.01</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>3.25</PROCHECK_G_ALL>
<VERIFY3D>-1.12</VERIFY3D>
<PROSAII_NEG>1.36</PROSAII_NEG>
<MAGE_CLASH>1.11
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.52
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>97.0%</MOST_FAVORED>
<ADDID_ALLOWED>3.0%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.7%</MOST_FAVORED>
<ALLOWED>0.3%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>9A-69A,9B-69B</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>8A-69A,8B-69B</SEL_RES>

</SUMMARY>
