<?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>2.1</GROUP1>
<GROUP2>2.05</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.02</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.48</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.05</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.05</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>1.10</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.893796</RECALL><PRECISION>0.883085</PRECISION><F_MEASURE>0.888</F_MEASURE><DP_SCORE>0.818482</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>0.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.4</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.67</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.48</PROCHECK_G_ALL>
<VERIFY3D>0.39</VERIFY3D>
<PROSAII_NEG>0.27</PROSAII_NEG>
<MAGE_CLASH>23.82
</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>0.0230</VERIFY3D>
<PROSAII_NEG>0.0459</PROSAII_NEG>
<MAGE_CLASH>2.5367
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-2.32</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-2.84</PROCHECK_G_ALL>
<VERIFY3D>-1.12</VERIFY3D>
<PROSAII_NEG>-1.57</PROSAII_NEG>
<MAGE_CLASH>-2.56
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>2.22
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>85.5%</MOST_FAVORED>
<ADDID_ALLOWED>13.7%</ADDID_ALLOWED>
<GEN_ALLOWED>0.7%</GEN_ALLOWED>
<DISALLOWED>0.1%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>94.7%</MOST_FAVORED>
<ALLOWED>4.7%</ALLOWED>
<DISALLOWED>0.6%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>4A-16A,19A-30A,33A-67A,70A-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>
