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

<DISTANCE_CONSTRAINTS>
<TOTAL>1661</TOTAL>
<INTRA>542</INTRA>
<SEQUENTIAL>444</SEQUENTIAL>
<MEDIUM>362</MEDIUM>
<LONG>313</LONG>
<NUM_PER_RES>13.4</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>273</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1934</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>15.6</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>19.65</GROUP1>
<GROUP2>3.4</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.42</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>5.45</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.27</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>4.30</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.987</RECALL><PRECISION>0.869</PRECISION><F_MEASURE>0.924</F_MEASURE><DP_SCORE>0.727</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.4</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>0.52</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.26</PROCHECK_G_ALL>
<VERIFY3D>0.29</VERIFY3D>
<PROSAII_NEG>0.80</PROSAII_NEG>
<MAGE_CLASH>22.21
</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>0.0270</VERIFY3D>
<PROSAII_NEG>0.0541</PROSAII_NEG>
<MAGE_CLASH>3.8090
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>2.36</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>1.54</PROCHECK_G_ALL>
<VERIFY3D>-2.73</VERIFY3D>
<PROSAII_NEG>0.62</PROSAII_NEG>
<MAGE_CLASH>-2.29
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.24
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>98.1%</MOST_FAVORED>
<ADDID_ALLOWED>1.8%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.5%</MOST_FAVORED>
<ALLOWED>0.4%</ALLOWED>
<DISALLOWED>0.1%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>6A-45A,47A-56A,63A-70A,73A-91A,100A-122A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>6A-45A,47A-56A,63A-70A,73A-91A,100A-122A</SEL_RES>

</SUMMARY>
