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

<DISTANCE_CONSTRAINTS>
<TOTAL>2481</TOTAL>
<INTRA>559</INTRA>
<SEQUENTIAL>599</SEQUENTIAL>
<MEDIUM>469</MEDIUM>
<LONG>854</LONG>
<NUM_PER_RES>30.6</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>48</TOTAL>
<LONG>12 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>84</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2613</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>32.3</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>10.7</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>1.4</GROUP1>
<GROUP2>0.15</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.00</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.27</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.3</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.16</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>2.60</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.98</RECALL><PRECISION>0.973</PRECISION><F_MEASURE>0.976</F_MEASURE><DP_SCORE>0.907</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>4.3</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.8</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.8</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.20</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.06</PROCHECK_G_ALL>
<VERIFY3D>0.25</VERIFY3D>
<PROSAII_NEG>0.50</PROSAII_NEG>
<MAGE_CLASH>14.60
</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>0.0339</VERIFY3D>
<PROSAII_NEG>0.0667</PROSAII_NEG>
<MAGE_CLASH>2.2559
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-0.47</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.35</PROCHECK_G_ALL>
<VERIFY3D>-3.37</VERIFY3D>
<PROSAII_NEG>-0.62</PROSAII_NEG>
<MAGE_CLASH>-0.98
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>0.90
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>91.9%</MOST_FAVORED>
<ADDID_ALLOWED>7.9%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.1%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.8%</MOST_FAVORED>
<ALLOWED>1%</ALLOWED>
<DISALLOWED>0.2%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>19A-38A,44A-81A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>19A-38A,44A-81A</SEL_RES>

</SUMMARY>
