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

<DISTANCE_CONSTRAINTS>
<TOTAL>1106</TOTAL>
<INTRA>211</INTRA>
<SEQUENTIAL>406</SEQUENTIAL>
<MEDIUM>105</MEDIUM>
<LONG>384</LONG>
<NUM_PER_RES>6.9</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>44</TOTAL>
<LONG>40 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>687</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>1837</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>11.4</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>2.6</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>7.5</GROUP1>
<GROUP2>3.65</GROUP2>
<GROUP3>0.3</GROUP3>
<RMS_DIST_VIOL>0.02</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.71</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>5.65</GROUP1>
<GROUP2>4.2</GROUP2>
<RMS_DIHEDRAL_VIOL>1.43</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>32.70</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.968</RECALL><PRECISION>0.937</PRECISION><F_MEASURE>0.953</F_MEASURE><DP_SCORE>0.722</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>3.7</BACKBONE_ATOMS>
<HEAVY_ATOMS>4.3</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>1.4</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.7</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>1.5</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.8</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.11</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.05</PROCHECK_G_ALL>
<VERIFY3D>0.42</VERIFY3D>
<PROSAII_NEG>0.39</PROSAII_NEG>
<MAGE_CLASH>6.70
</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>0.0293</VERIFY3D>
<PROSAII_NEG>0.0495</PROSAII_NEG>
<MAGE_CLASH>1.5615
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-0.12</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>0.30</PROCHECK_G_ALL>
<VERIFY3D>-0.64</VERIFY3D>
<PROSAII_NEG>-1.08</PROSAII_NEG>
<MAGE_CLASH>0.38
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>2.21
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>96.5%</MOST_FAVORED>
<ADDID_ALLOWED>2.9%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.6%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>98.9%</MOST_FAVORED>
<ALLOWED>1%</ALLOWED>
<DISALLOWED>0%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>8A-27A,30A-40A,44A-62A,68A-73A,75A-78A,81A-83A,87A-106A,109A-126A,130A-134A,146A-153A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>8A-27A,31A-40A,44A-62A,68A-73A,75A-78A,81A-83A,87A-106A,109A-126A,130A-134A,138A-140A,146A-153A</SEL_RES>

</SUMMARY>
