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

<DISTANCE_CONSTRAINTS>
<TOTAL>3081</TOTAL>
<INTRA>557</INTRA>
<SEQUENTIAL>703</SEQUENTIAL>
<MEDIUM>1017</MEDIUM>
<LONG>804</LONG>
<NUM_PER_RES>32.4</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>80</TOTAL>
<LONG>0 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>143</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>3304</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>34.8</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>8.5</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>2.8</GROUP1>
<GROUP2>0.55</GROUP2>
<GROUP3>1.4</GROUP3>
<RMS_DIST_VIOL>0.02</RMS_DIST_VIOL>
<MAX_DIST_VIOL>1.16</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.05</GROUP1>
<GROUP2>0.95</GROUP2>
<RMS_DIHEDRAL_VIOL>4.53</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>125.70</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.932</RECALL><PRECISION>0.971</PRECISION><F_MEASURE>0.951</F_MEASURE><DP_SCORE>0.832</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.2</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.5</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.5</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.59</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.51</PROCHECK_G_ALL>
<VERIFY3D>0.37</VERIFY3D>
<PROSAII_NEG>0.85</PROSAII_NEG>
<MAGE_CLASH>1.03
</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>0.0267</PROSAII_NEG>
<MAGE_CLASH>0.7056
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>2.64</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>3.02</PROCHECK_G_ALL>
<VERIFY3D>-1.44</VERIFY3D>
<PROSAII_NEG>0.83</PROSAII_NEG>
<MAGE_CLASH>1.35
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>0.44
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>92.6%</MOST_FAVORED>
<ADDID_ALLOWED>7.3%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.8%</MOST_FAVORED>
<ALLOWED>1.2%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>2A-92A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>2A-92A</SEL_RES>

</SUMMARY>
