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

<DISTANCE_CONSTRAINTS>
<TOTAL>1023</TOTAL>
<INTRA>306</INTRA>
<SEQUENTIAL>207</SEQUENTIAL>
<MEDIUM>318</MEDIUM>
<LONG>192</LONG>
<NUM_PER_RES>23.2</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>48</TOTAL>
<LONG>0 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>68</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1139</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>25.9</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>4.4</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>2.55</GROUP1>
<GROUP2>6.1</GROUP2>
<GROUP3>15.55</GROUP3>
<RMS_DIST_VIOL>0.22</RMS_DIST_VIOL>
<MAX_DIST_VIOL>3.24</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.55</GROUP1>
<GROUP2>0.1</GROUP2>
<RMS_DIHEDRAL_VIOL>0.87</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>21.00</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.992</RECALL><PRECISION>0.945</PRECISION><F_MEASURE>0.968</F_MEASURE><DP_SCORE>0.827</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.9</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.2</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.6</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.2</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.6</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.65</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.69</PROCHECK_G_ALL>
<VERIFY3D>0.29</VERIFY3D>
<PROSAII_NEG>0.98</PROSAII_NEG>
<MAGE_CLASH>0.76
</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>0.0294</VERIFY3D>
<PROSAII_NEG>0.0930</PROSAII_NEG>
<MAGE_CLASH>0.9575
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>2.87</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>4.08</PROCHECK_G_ALL>
<VERIFY3D>-2.73</VERIFY3D>
<PROSAII_NEG>1.36</PROSAII_NEG>
<MAGE_CLASH>1.40
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>-0.14
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>99.3%</MOST_FAVORED>
<ADDID_ALLOWED>0.7%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>100%</MOST_FAVORED>
<ALLOWED>0%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>3A-38A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>2A-38A</SEL_RES>

</SUMMARY>
