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

<DISTANCE_CONSTRAINTS>
<TOTAL>1540</TOTAL>
<INTRA>324</INTRA>
<SEQUENTIAL>413</SEQUENTIAL>
<MEDIUM>321</MEDIUM>
<LONG>482</LONG>
<NUM_PER_RES>19.7</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>231</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1771</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>22.7</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>6.2</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>12.2</GROUP1>
<GROUP2>4.7</GROUP2>
<GROUP3>1.65</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.76</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>1.5</GROUP1>
<GROUP2>2</GROUP2>
<RMS_DIHEDRAL_VIOL>1.35</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>20.30</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.962</RECALL><PRECISION>0.916</PRECISION><F_MEASURE>0.939</F_MEASURE><DP_SCORE>0.796</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>1.3</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.6</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.6</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>0.6</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>0.04</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.13</PROCHECK_G_ALL>
<VERIFY3D>0.39</VERIFY3D>
<PROSAII_NEG>0.61</PROSAII_NEG>
<MAGE_CLASH>15.86
</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>0.0313</VERIFY3D>
<PROSAII_NEG>0.0971</PROSAII_NEG>
<MAGE_CLASH>2.1275
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>0.47</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.77</PROCHECK_G_ALL>
<VERIFY3D>-1.12</VERIFY3D>
<PROSAII_NEG>-0.17</PROSAII_NEG>
<MAGE_CLASH>-1.20
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>0.91
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>93.9%</MOST_FAVORED>
<ADDID_ALLOWED>6.1%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>95.4%</MOST_FAVORED>
<ALLOWED>4.6%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>3A-7A,13A-34A,37A-55A,58A-74A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>3A-7A,13A-34A,38A-55A,58A-74A</SEL_RES>

</SUMMARY>
