<?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>1.05</GROUP1>
<GROUP2>0.05</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.00</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.25</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1.35</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.22</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>3.10</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.1</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.28</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.27</PROCHECK_G_ALL>
<VERIFY3D>0.33</VERIFY3D>
<PROSAII_NEG>0.73</PROSAII_NEG>
<MAGE_CLASH>15.46
</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>0.0150</VERIFY3D>
<PROSAII_NEG>0.0487</PROSAII_NEG>
<MAGE_CLASH>2.7873
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>1.42</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>1.60</PROCHECK_G_ALL>
<VERIFY3D>-2.09</VERIFY3D>
<PROSAII_NEG>0.33</PROSAII_NEG>
<MAGE_CLASH>-1.13
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<RAMACHANDRAN>
<MOST_FAVORED>92.0%</MOST_FAVORED>
<ADDID_ALLOWED>7.9%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.1%</MOST_FAVORED>
<ALLOWED>1.9%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>11A-30A,33A-42A,46A-83A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>11A-30A,33A-42A,46A-83A</SEL_RES>

</SUMMARY>
