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

<DISTANCE_CONSTRAINTS>
<TOTAL>1790</TOTAL>
<INTRA>497</INTRA>
<SEQUENTIAL>465</SEQUENTIAL>
<MEDIUM>399</MEDIUM>
<LONG>429</LONG>
<NUM_PER_RES>12.7</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>116</TOTAL>
<LONG>4 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>196</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2102</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>14.9</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>3.1</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>16.45</GROUP1>
<GROUP2>30</GROUP2>
<GROUP3>54.95</GROUP3>
<RMS_DIST_VIOL>0.43</RMS_DIST_VIOL>
<MAX_DIST_VIOL>6.30</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>6.9</GROUP1>
<GROUP2>3.65</GROUP2>
<RMS_DIHEDRAL_VIOL>2.50</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>34.50</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.959</RECALL><PRECISION>0.931</PRECISION><F_MEASURE>0.945</F_MEASURE><DP_SCORE>0.771</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>5.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>5.9</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>1.0</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.5</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>1.0</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.4</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.11</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.30</PROCHECK_G_ALL>
<VERIFY3D>0.43</VERIFY3D>
<PROSAII_NEG>0.74</PROSAII_NEG>
<MAGE_CLASH>3.68
</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>0.0267</VERIFY3D>
<PROSAII_NEG>0.0711</PROSAII_NEG>
<MAGE_CLASH>1.5459
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>0.75</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>1.77</PROCHECK_G_ALL>
<VERIFY3D>-0.48</VERIFY3D>
<PROSAII_NEG>0.37</PROSAII_NEG>
<MAGE_CLASH>0.89
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.71
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>94.8%</MOST_FAVORED>
<ADDID_ALLOWED>5.2%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99%</MOST_FAVORED>
<ALLOWED>0.9%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>14A-38A,48A-78A,82A-99A,102A-143A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>14A-18A,20A-38A,48A-78A,83A-99A,102A-143A</SEL_RES>

</SUMMARY>
