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

<DISTANCE_CONSTRAINTS>
<TOTAL>1226</TOTAL>
<INTRA>263</INTRA>
<SEQUENTIAL>374</SEQUENTIAL>
<MEDIUM>324</MEDIUM>
<LONG>265</LONG>
<NUM_PER_RES>11.2</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>84</TOTAL>
<LONG>0 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>128</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1438</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>13.2</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>2.4</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>2.3</GROUP1>
<GROUP2>0.6</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.34</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0.3</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.09</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>1.60</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.9806</RECALL><PRECISION>0.899107</PRECISION><F_MEASURE>0.938</F_MEASURE><DP_SCORE>0.8</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>3.2</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.8</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.2</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.36</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.19</PROCHECK_G_ALL>
<VERIFY3D>0.30</VERIFY3D>
<PROSAII_NEG>0.67</PROSAII_NEG>
<MAGE_CLASH>19.93
</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>0.0295</VERIFY3D>
<PROSAII_NEG>0.0774</PROSAII_NEG>
<MAGE_CLASH>2.3860
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>1.73</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>1.12</PROCHECK_G_ALL>
<VERIFY3D>-2.57</VERIFY3D>
<PROSAII_NEG>0.08</PROSAII_NEG>
<MAGE_CLASH>-1.89
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>0.93
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>96.1%</MOST_FAVORED>
<ADDID_ALLOWED>3.9%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>96.1%</MOST_FAVORED>
<ALLOWED>3.9%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>11A-19A,31A-63A,67A-83A,95A-108A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>11A-19A,31A-63A,67A-83A,95A-108A</SEL_RES>

</SUMMARY>
