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

<DISTANCE_CONSTRAINTS>
<TOTAL>1661</TOTAL>
<INTRA>542</INTRA>
<SEQUENTIAL>444</SEQUENTIAL>
<MEDIUM>362</MEDIUM>
<LONG>313</LONG>
<NUM_PER_RES>13.4</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>273</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1934</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>15.6</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>2.5</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>20.9</GROUP1>
<GROUP2>14.8</GROUP2>
<GROUP3>2.1</GROUP3>
<RMS_DIST_VIOL>0.03</RMS_DIST_VIOL>
<MAX_DIST_VIOL>1.24</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1.6</GROUP1>
<GROUP2>0.2</GROUP2>
<RMS_DIHEDRAL_VIOL>0.59</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>22.80</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.987</RECALL><PRECISION>0.862</PRECISION><F_MEASURE>0.92</F_MEASURE><DP_SCORE>0.697</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.9</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.4</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.9</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.76</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.69</PROCHECK_G_ALL>
<VERIFY3D>0.34</VERIFY3D>
<PROSAII_NEG>0.85</PROSAII_NEG>
<MAGE_CLASH>4.12
</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>0.0266</VERIFY3D>
<PROSAII_NEG>0.0471</PROSAII_NEG>
<MAGE_CLASH>1.1799
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>3.30</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>4.08</PROCHECK_G_ALL>
<VERIFY3D>-1.93</VERIFY3D>
<PROSAII_NEG>0.83</PROSAII_NEG>
<MAGE_CLASH>0.82
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.06
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>98.0%</MOST_FAVORED>
<ADDID_ALLOWED>2.0%</ADDID_ALLOWED>
<GEN_ALLOWED>0.1%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>99.7%</MOST_FAVORED>
<ALLOWED>0.3%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>6A-56A,63A-70A,73A-91A,100A-122A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>6A-45A,47A-56A,63A-70A,73A-91A,100A-122A</SEL_RES>

</SUMMARY>
