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

<DISTANCE_CONSTRAINTS>
<TOTAL>1137</TOTAL>
<INTRA>168</INTRA>
<SEQUENTIAL>337</SEQUENTIAL>
<MEDIUM>217</MEDIUM>
<LONG>415</LONG>
<NUM_PER_RES>13.1</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>54</TOTAL>
<LONG>32</LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>179</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1370</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>15.7</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>5.1</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>10</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>7.5</GROUP1>
<GROUP2>3.1</GROUP2>
<GROUP3>2.1</GROUP3>
<RMS_DIST_VIOL>0.03</RMS_DIST_VIOL>
<MAX_DIST_VIOL>1.09</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1.2</GROUP1>
<GROUP2>0.4</GROUP2>
<RMS_DIHEDRAL_VIOL>1.45</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>50.70</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.928</RECALL><PRECISION>0.781</PRECISION><F_MEASURE>0.848</F_MEASURE><DP_SCORE>0.764</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.4</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.8</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.8</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.11</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.11</PROCHECK_G_ALL>
<VERIFY3D>0.36</VERIFY3D>
<PROSAII_NEG>0.55</PROSAII_NEG>
<MAGE_CLASH>9.96
</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>0.0397</VERIFY3D>
<PROSAII_NEG>0.0837</PROSAII_NEG>
<MAGE_CLASH>2.7661
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-0.12</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.65</PROCHECK_G_ALL>
<VERIFY3D>-1.61</VERIFY3D>
<PROSAII_NEG>-0.41</PROSAII_NEG>
<MAGE_CLASH>-0.18
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.29
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>90.8%</MOST_FAVORED>
<ADDID_ALLOWED>7.1%</ADDID_ALLOWED>
<GEN_ALLOWED>1.2%</GEN_ALLOWED>
<DISALLOWED>0.8%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>95.5%</MOST_FAVORED>
<ALLOWED>4.3%</ALLOWED>
<DISALLOWED>0.2%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>14A-18A,28A-32A,38A-50A,53A-68A,70A-82A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>14A-18A,28A-32A,38A-50A,53A-67A,70A-82A</SEL_RES>

</SUMMARY>
