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

<DISTANCE_CONSTRAINTS>
<TOTAL>2302</TOTAL>
<INTRA>462</INTRA>
<SEQUENTIAL>508</SEQUENTIAL>
<MEDIUM>707</MEDIUM>
<LONG>625</LONG>
<NUM_PER_RES>29.9</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>34</TOTAL>
<LONG>0 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>97</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2433</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>31.6</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>8.1</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>0.45</GROUP1>
<GROUP2>2.25</GROUP2>
<GROUP3>0.15</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.56</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.05</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.03</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>1.30</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.6</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.7</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.7</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.42</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.51</PROCHECK_G_ALL>
<VERIFY3D>0.38</VERIFY3D>
<PROSAII_NEG>0.80</PROSAII_NEG>
<MAGE_CLASH>1.73
</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>0.0233</VERIFY3D>
<PROSAII_NEG>0.0478</PROSAII_NEG>
<MAGE_CLASH>1.2261
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>1.97</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>3.02</PROCHECK_G_ALL>
<VERIFY3D>-1.28</VERIFY3D>
<PROSAII_NEG>0.62</PROSAII_NEG>
<MAGE_CLASH>1.23
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<RAMACHANDRAN>
<MOST_FAVORED>94.2%</MOST_FAVORED>
<ADDID_ALLOWED>5.8%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.4%</MOST_FAVORED>
<ALLOWED>0.6%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>11A-30A,33A-42A,45A-83A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>11A-30A,33A-42A,46A-83A</SEL_RES>

</SUMMARY>
