<?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>3.4</GROUP1>
<GROUP2>0.9</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.41</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1.25</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.16</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>3.90</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.973</RECALL><PRECISION>0.933</PRECISION><F_MEASURE>0.953</F_MEASURE><DP_SCORE>0.813</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>5.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>6.0</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.3</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.3</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.17</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.09</PROCHECK_G_ALL>
<VERIFY3D>0.38</VERIFY3D>
<PROSAII_NEG>0.62</PROSAII_NEG>
<MAGE_CLASH>20.28
</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>0.0239</VERIFY3D>
<PROSAII_NEG>0.0418</PROSAII_NEG>
<MAGE_CLASH>3.7164
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>0.98</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.53</PROCHECK_G_ALL>
<VERIFY3D>-1.28</VERIFY3D>
<PROSAII_NEG>-0.12</PROSAII_NEG>
<MAGE_CLASH>-1.95
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.55
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>95.0%</MOST_FAVORED>
<ADDID_ALLOWED>4.9%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.1%</MOST_FAVORED>
<ALLOWED>1.7%</ALLOWED>
<DISALLOWED>0.2%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>14A-18A,20A-38A,48A-78A,83A-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>
