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	<ModelledSubgroup num-H-reduce="11" ligand_chirality_outlier="yes" ligand_clashes_outlier="yes" ligand_num_symm_clashes="0" ligand_num_clashes="6" mogul_angles_rmsz="19.12" mogul_rmsz_numangles="9" mogul_rmsz_numbonds="7" mogul_bonds_rmsz="2.65" ligand_geometry_outlier="yes" model="1" chain="A" resnum="126" said="D" ent="3" seq="." icode=" " resname="MPD" altcode=" ">
		<chiral-outlier problem="PLANAR" atom="C4"/>
		<clash atom="H11" dist="2.16" clashmag="0.79" cid="23"/>
		<clash atom="H11" dist="1.50" clashmag="0.76" cid="24"/>
		<clash atom="C1" dist="2.69" clashmag="0.75" cid="25"/>
		<clash atom="C1" dist="2.77" clashmag="0.68" cid="26"/>
		<clash atom="C1" dist="2.13" clashmag="0.61" cid="27"/>
		<clash atom="H12" dist="1.69" clashmag="0.57" cid="28"/>
		<mog-bond-outlier atoms="C1,C2" numobs="682" mean="1.52" stdev="0.03" mindiff="0.01" Zscore="3.31" obsval="1.62"/>
		<mog-bond-outlier atoms="C3,C4" numobs="35" mean="1.51" stdev="0.06" mindiff="0.01" Zscore="2.65" obsval="1.67"/>
		<mog-bond-outlier atoms="O4,C4" numobs="686" mean="1.43" stdev="0.04" mindiff="0.00" Zscore="3.17" obsval="1.56"/>
		<mog-bond-outlier atoms="C5,C4" numobs="686" mean="1.51" stdev="0.04" mindiff="0.02" Zscore="4.38" obsval="1.69"/>
		<mog-angle-outlier atoms="CM,C2,C1" numobs="341" mean="110.63" stdev="2.24" mindiff="0.07" Zscore="-2.78" obsval="104.39"/>
		<mog-angle-outlier atoms="O2,C2,CM" numobs="682" mean="107.99" stdev="3.12" mindiff="71.22" Zscore="-34.06" obsval="1.83"/>
		<mog-angle-outlier atoms="O2,C2,C3" numobs="32" mean="109.27" stdev="3.74" mindiff="99.91" Zscore="-28.82" obsval="1.45"/>
		<mog-angle-outlier atoms="CM,C2,C3" numobs="64" mean="110.20" stdev="4.31" mindiff="95.25" Zscore="-25.45" obsval="0.38"/>
		<mog-angle-outlier atoms="O4,C4,C3" numobs="35" mean="111.35" stdev="3.98" mindiff="3.65" Zscore="-2.46" obsval="101.56"/>
		<mog-angle-outlier atoms="C5,C4,C3" numobs="35" mean="111.67" stdev="4.65" mindiff="1.89" Zscore="-2.46" obsval="100.24"/>
		<mog-angle-outlier atoms="O4,C4,C5" numobs="686" mean="109.45" stdev="4.30" mindiff="84.00" Zscore="-25.12" obsval="1.33"/>
		<mog-torsion-outlier atoms="C1,C2,C3,C4" numobs="44" mean="54.25" stdev="19.76" mindiff="4.06" local_density="2.27" obsval="-128.46"/>
		<mog-torsion-outlier atoms="C2,C3,C4,O4" numobs="45" mean="49.17" stdev="19.31" mindiff="1.26" local_density="4.44" obsval="113.87"/>
		<mog-torsion-outlier atoms="C2,C3,C4,C5" numobs="40" mean="53.30" stdev="12.70" mindiff="4.03" local_density="2.50" obsval="113.76"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="138" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<symm-clash atom="O" dist="1.71" clashmag="0.49" symop="2_555" scid="2"/>
		<symm-clash atom="O" dist="1.99" clashmag="0.21" symop="2_555" scid="3"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="140" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<symm-clash atom="O" dist="0.31" clashmag="1.89" symop="3_656" scid="0"/>
		<symm-clash atom="O" dist="1.23" clashmag="0.97" symop="3_656" scid="1"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="169" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<symm-clash atom="O" dist="1.99" clashmag="0.21" symop="1_555" scid="4"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="179" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<symm-clash atom="O" dist="2.08" clashmag="0.12" symop="2_554" scid="5"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="198" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<symm-clash atom="O" dist="1.99" clashmag="0.21" symop="2_555" scid="4"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="204" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="2.24" clashmag="0.47" cid="38"/>
	</ModelledSubgroup>
	<ModelledEntityInstance bonds_rmsz="0.96" num_bonds_rmsz="976" angles_rmsz="1.87" num_angles_rmsz="1317" absolute_sidechain_percentile="5.00" relative_sidechain_percentile="0.84" absolute_rama_percentile="100.00" relative_rama_percentile="100.00" said="A" model="1" chain="A" ent="1"/>
	<programs>
		<program name="validation-pipeline" version="2.49" properties="PDB-resolution-low,PDB-deposition-date,attemptedValidationSteps,percentilebins,PDB-resolution,PDB-R,PDB-revision-number,extended_pdbid,XMLcreationDate,protein-DNA-RNA-entities,PDB-Rfree,pdbid,PDB-revision-date"/>
		<program name="validation-pack" version="unknown" properties="symm-clash,chiral-outlier"/>
		<program name="molprobity" version="4-5-2 with Phenix2.0" properties="phi,relative_sidechain_percentile,absolute_rama_percentile,rota,bond-outlier,ligand_chirality_outlier,clashscore,flippable-sidechain,num_bonds_rmsz,ligand_clashes_outlier,relative_rama_percentile,psi,rama,percent-rama-outliers,absolute_sidechain_percentile,bonds_rmsz,ligand_num_clashes,clash,num_angles_rmsz,angle-outlier,angles_rmsz,num-H-reduce,ligand_num_symm_clashes,RestypesNotcheckedForBondAngleGeometry,percent-rota-outliers"/>
		<program name="buster-report" version="unknown" properties="no-ligands-for-buster-report"/>
		<program name="mogul" version="2022.3.0, CSD as543be (2022)" properties="mogul_rmsz_numbonds,mogul-bond-outlier,mogul-ignore,mogul-angle-outlier,mogul_angles_rmsz,mogul_rmsz_numangles,mogul_bonds_rmsz,mogul-torsion-outlier,ligand_geometry_outlier"/>
		<program name="percentiles" version="20250101.v01 (using entries in the PDB archive January 1st 2025)" properties="absolute-percentile-percent-rama-outliers,relative-percentile-percent-rama-outliers,numPDBids-absolute-percentile-percent-rota-outliers,absolute-percentile-clashscore,numPDBids-relative-percentile-percent-rama-outliers,low-resol-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-clashscore,relative-percentile-percent-rota-outliers,numPDBids-absolute-percentile-percent-rama-outliers,absolute-percentile-percent-rota-outliers,high-resol-relative-percentile-clashscore,low-resol-relative-percentile-percent-rota-outliers,low-resol-relative-percentile-clashscore,numPDBids-absolute-percentile-clashscore,relative-percentile-clashscore,numPDBids-relative-percentile-percent-rota-outliers,high-resol-relative-percentile-percent-rota-outliers,high-resol-relative-percentile-percent-rama-outliers"/>
	</programs>
</wwPDB-validation-information>
