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

<DISTANCE_CONSTRAINTS>
<TOTAL>1823</TOTAL>
<INTRA>419</INTRA>
<SEQUENTIAL>481</SEQUENTIAL>
<MEDIUM>370</MEDIUM>
<LONG>553</LONG>
<NUM_PER_RES>14.9</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>80</TOTAL>
<LONG>40 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>172</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>2075</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>17.0</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>4.9</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>21.3</GROUP1>
<GROUP2>41.2</GROUP2>
<GROUP3>125.15</GROUP3>
<RMS_DIST_VIOL>0.58</RMS_DIST_VIOL>
<MAX_DIST_VIOL>8.61</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>9.75</GROUP1>
<GROUP2>7.1</GROUP2>
<RMS_DIHEDRAL_VIOL>4.21</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>46.20</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.884</RECALL><PRECISION>0.845</PRECISION><F_MEASURE>0.864</F_MEASURE><DP_SCORE>0.707</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.2</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.9</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>1.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.6</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>1.1</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.6</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.01</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.22</PROCHECK_G_ALL>
<VERIFY3D>0.44</VERIFY3D>
<PROSAII_NEG>0.78</PROSAII_NEG>
<MAGE_CLASH>4.35
</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>0.0310</VERIFY3D>
<PROSAII_NEG>0.0621</PROSAII_NEG>
<MAGE_CLASH>1.7071
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>0.35</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>1.30</PROCHECK_G_ALL>
<VERIFY3D>-0.32</VERIFY3D>
<PROSAII_NEG>0.54</PROSAII_NEG>
<MAGE_CLASH>0.78
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.71
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>91.9%</MOST_FAVORED>
<ADDID_ALLOWED>8.1%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.4%</MOST_FAVORED>
<ALLOWED>0.5%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>2A-18A,20A-36A,40A-53A,57A-83A,90A-99A,102A-117A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>2A-36A,40A-53A,57A-83A,90A-99A,101A-116A</SEL_RES>

</SUMMARY>
