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

<DISTANCE_CONSTRAINTS>
<TOTAL>893</TOTAL>
<INTRA>2</INTRA>
<SEQUENTIAL>129</SEQUENTIAL>
<MEDIUM>121</MEDIUM>
<LONG>641</LONG>
<NUM_PER_RES>6.4</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>62</TOTAL>
<LONG>62 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>210</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1165</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>8.3</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>5.0</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>1.6</GROUP1>
<GROUP2>2.05</GROUP2>
<GROUP3>1.9</GROUP3>
<RMS_DIST_VIOL>0.04</RMS_DIST_VIOL>
<MAX_DIST_VIOL>1.32</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1.05</GROUP1>
<GROUP2>0.8</GROUP2>
<RMS_DIHEDRAL_VIOL>1.15</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>28.90</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.901157</RECALL><PRECISION>0.882805</PRECISION><F_MEASURE>0.892</F_MEASURE><DP_SCORE>0.834437</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.36</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.00</PROCHECK_G_ALL>
<VERIFY3D>0.43</VERIFY3D>
<PROSAII_NEG>0.29</PROSAII_NEG>
<MAGE_CLASH>5.26
</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>0.0150</VERIFY3D>
<PROSAII_NEG>0.0389</PROSAII_NEG>
<MAGE_CLASH>1.3678
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-1.10</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.00</PROCHECK_G_ALL>
<VERIFY3D>-0.48</VERIFY3D>
<PROSAII_NEG>-1.49</PROSAII_NEG>
<MAGE_CLASH>0.62
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.82
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>90.8%</MOST_FAVORED>
<ADDID_ALLOWED>8.8%</ADDID_ALLOWED>
<GEN_ALLOWED>0.3%</GEN_ALLOWED>
<DISALLOWED>0.1%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>97.6%</MOST_FAVORED>
<ALLOWED>2.2%</ALLOWED>
<DISALLOWED>0.2%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>4A-16A,22A-30A,33A-67A,71A-139A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>4A-16A,19A-30A,33A-67A,70A-139A</SEL_RES>

</SUMMARY>
