<?xml version="1.0" ?>
<wwPDB-validation-information xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="http://wwpdb.org/validation/schema/wwpdb_validation_v6.06.xsd">
	<Entry percentilebins="all,nmr" attemptedValidationSteps="mogul,buster-report,molprobity,validation-pack,coreclust,chemicalshiftanalysis,percentiles,writexml" PDB-deposition-date="2010-02-17" PDB-revision-date="2024-05-01" PDB-revision-number="5" protein-DNA-RNA-entities="1" PDB-resolution="NotAvailable" PDB-resolution-low="NotAvailable" PDB-R="NotAvailable" PDB-Rfree="NotAvailable" pdbid="2KUG" extended_pdbid="2KUG" no-ligands-for-buster-report="yes" num_angles_rmsz="3990" clashscore-full-length="11.04" percent-rota-outliers-full-length="16.88" angles_rmsz="1.55" num-H-reduce="2810" bonds_rmsz="0.78" num_bonds_rmsz="2970" RestypesNotcheckedForBondAngleGeometry="CA,HLT" percent-rama-outliers-full-length="0.00" nmrclust_number_of_outliers="0" nmrclust_number_of_clusters="1" shiftchecker_version="v1.2" nmrclust_number_of_models="5" cyrange_error="success" nmrclust_version="Kelley et al. (1996)" cyrange_version="Kirchner and G\&quot;{u}ntert (2011)" nmrclust_error="success" cyrange_number_of_domains="1" medoid_model="5" rci_version="v_1n_11_5_13_A (Berjanski et al., 2005)" nmrclust_representative_model="5" chemical_shift_completeness="94.32" chemical_shift_completeness_full_length="93.41" panav_version="Wang et al. (2010)" nmr_models_consistency_flag="True" clashscore="11.56" percent-rama-outliers="0.00" percent-rota-outliers="14.58" absolute-percentile-clashscore="21.7" numPDBids-absolute-percentile-clashscore="229148" relative-percentile-clashscore="49.0" numPDBids-relative-percentile-clashscore="14424" absolute-percentile-percent-rama-outliers="100.0" numPDBids-absolute-percentile-percent-rama-outliers="224038" relative-percentile-percent-rama-outliers="100.0" numPDBids-relative-percentile-percent-rama-outliers="12848" absolute-percentile-percent-rota-outliers="5.0" numPDBids-absolute-percentile-percent-rota-outliers="223484" relative-percentile-percent-rota-outliers="42.9" numPDBids-relative-percentile-percent-rota-outliers="12823" XMLcreationDate="Mar  9, 2026 -- 01:56 PM UTC" bmrb_id="16764">
		<chemical_shift_list file_id="5" block_name="assigned_chem_shift_list_1" list_id="1" file_name="working_cs.cif" type="full" total_number_of_shifts="1799" number_of_parsed_shifts="1799" number_of_unparsed_shifts="0" number_of_mapped_shifts="921" number_of_errors_while_mapping="878" number_of_warnings_while_mapping="0">
			<random_coil_index chain="A" resnum="1" rescode="ALA" value="0.116"/>
			<random_coil_index chain="A" resnum="1" rescode="HAL" value="0.116"/>
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			<random_coil_index chain="A" resnum="100" rescode="ILE" value="0.017"/>
			<random_coil_index chain="A" resnum="101" rescode="SER" value="0.018"/>
			<random_coil_index chain="A" resnum="102" rescode="ALA" value="0.018"/>
			<random_coil_index chain="A" resnum="103" rescode="ALA" value="0.017"/>
			<random_coil_index chain="A" resnum="104" rescode="GLU" value="0.016"/>
			<random_coil_index chain="A" resnum="105" rescode="LEU" value="0.015"/>
			<random_coil_index chain="A" resnum="106" rescode="ARG" value="0.013"/>
			<random_coil_index chain="A" resnum="107" rescode="HIS" value="0.012"/>
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			<random_coil_index chain="A" resnum="113" rescode="GLY" value="0.049"/>
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			<random_coil_index chain="A" resnum="99" rescode="TYR" value="0.019"/>
			<referencing_offset atom="C" number_of_measurements="123" value="-0.67" uncertainty="0.50" precision="0.22"/>
			<referencing_offset atom="CA" number_of_measurements="148" value="-0.21" uncertainty="0.50" precision="0.09"/>
			<referencing_offset atom="CB" number_of_measurements="137" value="0.15" uncertainty="0.50" precision="0.13"/>
			<referencing_offset atom="N" number_of_measurements="146" value="0.27" uncertainty="0.50" precision="0.32"/>
			<assignment_completeness_well_defined type="stereomethyl" element="stereomethyl" number_of_assigned_shifts="0" number_of_unassigned_shifts="8" number_of_shifts="8"/>
			<assignment_completeness_well_defined element="Total" type="overall" number_of_assigned_shifts="847" number_of_unassigned_shifts="51" number_of_shifts="898"/>
			<assignment_completeness_well_defined element="Total" type="backbone" number_of_assigned_shifts="337" number_of_unassigned_shifts="15" number_of_shifts="352"/>
			<assignment_completeness_well_defined element="Total" type="sidechain" number_of_assigned_shifts="462" number_of_unassigned_shifts="34" number_of_shifts="496"/>
			<assignment_completeness_well_defined element="Total" type="aromatic" number_of_assigned_shifts="48" number_of_unassigned_shifts="2" number_of_shifts="50"/>
			<assignment_completeness_well_defined element="H" type="overall" number_of_assigned_shifts="483" number_of_unassigned_shifts="6" number_of_shifts="489"/>
			<assignment_completeness_well_defined element="H" type="backbone" number_of_assigned_shifts="144" number_of_unassigned_shifts="0" number_of_shifts="144"/>
			<assignment_completeness_well_defined element="H" type="sidechain" number_of_assigned_shifts="315" number_of_unassigned_shifts="5" number_of_shifts="320"/>
			<assignment_completeness_well_defined element="H" type="aromatic" number_of_assigned_shifts="24" number_of_unassigned_shifts="1" number_of_shifts="25"/>
			<assignment_completeness_well_defined element="C" type="overall" number_of_assigned_shifts="290" number_of_unassigned_shifts="39" number_of_shifts="329"/>
			<assignment_completeness_well_defined element="C" type="backbone" number_of_assigned_shifts="125" number_of_unassigned_shifts="15" number_of_shifts="140"/>
			<assignment_completeness_well_defined element="C" type="sidechain" number_of_assigned_shifts="141" number_of_unassigned_shifts="23" number_of_shifts="164"/>
			<assignment_completeness_well_defined element="C" type="aromatic" number_of_assigned_shifts="24" number_of_unassigned_shifts="1" number_of_shifts="25"/>
			<assignment_completeness_well_defined element="N" type="overall" number_of_assigned_shifts="74" number_of_unassigned_shifts="6" number_of_shifts="80"/>
			<assignment_completeness_well_defined element="N" type="backbone" number_of_assigned_shifts="68" number_of_unassigned_shifts="0" number_of_shifts="68"/>
			<assignment_completeness_well_defined element="N" type="sidechain" number_of_assigned_shifts="6" number_of_unassigned_shifts="6" number_of_shifts="12"/>
			<assignment_completeness_full_length type="stereomethyl" element="stereomethyl" number_of_assigned_shifts="0" number_of_unassigned_shifts="8" number_of_shifts="8"/>
			<assignment_completeness_full_length element="Total" type="overall" number_of_assigned_shifts="922" number_of_unassigned_shifts="65" number_of_shifts="987"/>
			<assignment_completeness_full_length element="Total" type="backbone" number_of_assigned_shifts="365" number_of_unassigned_shifts="17" number_of_shifts="382"/>
			<assignment_completeness_full_length element="Total" type="sidechain" number_of_assigned_shifts="509" number_of_unassigned_shifts="46" number_of_shifts="555"/>
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			<assignment_completeness_full_length element="H" type="backbone" number_of_assigned_shifts="156" number_of_unassigned_shifts="0" number_of_shifts="156"/>
			<assignment_completeness_full_length element="H" type="sidechain" number_of_assigned_shifts="347" number_of_unassigned_shifts="10" number_of_shifts="357"/>
			<assignment_completeness_full_length element="H" type="aromatic" number_of_assigned_shifts="24" number_of_unassigned_shifts="1" number_of_shifts="25"/>
			<assignment_completeness_full_length element="C" type="overall" number_of_assigned_shifts="314" number_of_unassigned_shifts="44" number_of_shifts="358"/>
			<assignment_completeness_full_length element="C" type="backbone" number_of_assigned_shifts="135" number_of_unassigned_shifts="17" number_of_shifts="152"/>
			<assignment_completeness_full_length element="C" type="sidechain" number_of_assigned_shifts="155" number_of_unassigned_shifts="26" number_of_shifts="181"/>
			<assignment_completeness_full_length element="C" type="aromatic" number_of_assigned_shifts="24" number_of_unassigned_shifts="1" number_of_shifts="25"/>
			<assignment_completeness_full_length element="N" type="overall" number_of_assigned_shifts="81" number_of_unassigned_shifts="10" number_of_shifts="91"/>
			<assignment_completeness_full_length element="N" type="backbone" number_of_assigned_shifts="74" number_of_unassigned_shifts="0" number_of_shifts="74"/>
			<assignment_completeness_full_length element="N" type="sidechain" number_of_assigned_shifts="7" number_of_unassigned_shifts="10" number_of_shifts="17"/>
		</chemical_shift_list>
	</Entry>
	<Model nmrclust_cluster_id="1" model="1"/>
	<ModelledSubgroup num-H-reduce="7" validate="False" model="1" chain="A" resnum="1" said="A" ent="1" seq="1" icode=" " resname="ALA" altcode=" "/>
	<ModelledSubgroup num-H-reduce="4" phi="-86.4" psi="-68.0" rama="Allowed" rota="m-30" validate="False" model="1" chain="A" resnum="2" said="A" ent="1" seq="2" icode=" " resname="ASP" altcode=" "/>
	<ModelledSubgroup num-H-reduce="8" phi="-74.4" psi="-60.6" rama="Favored" rota="mm-40" validate="False" model="1" chain="A" resnum="3" said="A" ent="1" seq="3" icode=" " resname="GLN" altcode=" "/>
	<ModelledSubgroup num-H-reduce="11" phi="-153.9" psi="-174.6" rama="Favored" rota="OUTLIER" cyrange_domain_id="1" validate="True" model="1" chain="A" resnum="4" said="A" ent="1" seq="4" icode=" " resname="LEU" altcode=" "/>
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	<ModelledSubgroup num-H-reduce="4" phi="-112.2" psi="-173.3" rama="Favored" rota="p0" cyrange_domain_id="1" validate="True" model="5" chain="A" resnum="64" said="A" ent="1" seq="64" icode=" " resname="ASP" altcode=" ">
		<clash atom="CG" dist="2.28" clashmag="0.54" cid="8"/>
	</ModelledSubgroup>
	<ModelledSubgroup num-H-reduce="9" phi="-59.4" psi="-51.2" rama="Favored" rota="t80" cyrange_domain_id="1" validate="True" model="5" chain="A" resnum="65" said="A" ent="1" seq="65" icode=" " resname="PHE" altcode=" "/>
	<ModelledSubgroup num-H-reduce="7" phi="-47.2" psi="-51.3" rama="Favored" rota="Cg_exo" cyrange_domain_id="1" validate="True" model="5" chain="A" resnum="66" said="A" ent="1" seq="66" icode=" " resname="PRO" altcode=" ">
		<clash atom="HD2" dist="2.28" clashmag="0.54" cid="8"/>
	</ModelledSubgroup>
	<ModelledSubgroup num-H-reduce="6" phi="-65.3" psi="-36.5" rama="Favored" rota="mt-10" cyrange_domain_id="1" validate="True" model="5" chain="A" resnum="67" said="A" ent="1" seq="67" icode=" " resname="GLU" altcode=" "/>
	<ModelledSubgroup num-H-reduce="9" phi="-61.8" psi="-44.5" rama="Favored" rota="t80" cyrange_domain_id="1" validate="True" model="5" chain="A" resnum="68" said="A" ent="1" seq="68" icode=" " resname="PHE" altcode=" "/>
	<ModelledSubgroup num-H-reduce="11" phi="-64.6" psi="-40.7" rama="Favored" rota="tt" cyrange_domain_id="1" validate="True" model="5" chain="A" resnum="69" said="A" ent="1" seq="69" icode=" " resname="LEU" altcode=" "/>
	<ModelledSubgroup num-H-reduce="7" phi="-61.3" psi="-38.7" rama="Favored" rota="p" cyrange_domain_id="1" validate="True" model="5" chain="A" resnum="70" said="A" ent="1" seq="70" icode=" " resname="THR" altcode=" "/>
	<ModelledSubgroup num-H-reduce="9" phi="-60.3" psi="-42.5" rama="Favored" rota="tmt" cyrange_domain_id="1" validate="True" model="5" chain="A" resnum="71" said="A" ent="1" seq="71" icode=" " resname="MET" altcode=" ">
		<clash atom="HE1" dist="2.08" clashmag="1.04" cid="1"/>
		<clash atom="CE" dist="2.69" clashmag="0.95" cid="2"/>
		<clash atom="HE2" dist="2.54" clashmag="0.54" cid="6"/>
	</ModelledSubgroup>
	<ModelledSubgroup num-H-reduce="9" phi="-57.7" psi="-30.3" rama="Favored" rota="OUTLIER" cyrange_domain_id="1" validate="True" model="5" chain="A" resnum="72" said="A" ent="1" seq="72" icode=" " resname="MET" altcode=" ">
		<clash atom="SD" dist="3.05" clashmag="0.49" cid="10"/>
	</ModelledSubgroup>
	<ModelledSubgroup num-H-reduce="5" phi="-60.6" psi="-37.5" rama="Favored" cyrange_domain_id="1" validate="True" model="5" chain="A" resnum="73" said="A" ent="1" seq="73" icode=" " resname="ALA" altcode=" "/>
	<ModelledSubgroup num-H-reduce="13" phi="-68.1" psi="-22.4" rama="Favored" rota="OUTLIER" validate="False" model="5" chain="A" resnum="74" said="A" ent="1" seq="74" icode=" " resname="ARG" altcode=" "/>
	<ModelledSubgroup num-H-reduce="13" phi="-64.4" psi="94.5" rama="Allowed" rota="OUTLIER" validate="False" model="5" chain="A" resnum="75" said="A" ent="1" seq="75" icode=" " resname="LYS" altcode=" ">
		<clash atom="HE2" dist="2.05" clashmag="0.52" cid="9"/>
		<clash atom="O" dist="2.05" clashmag="0.52" cid="9"/>
	</ModelledSubgroup>
	<ModelledSubgroup num-H-reduce="9" rota="OUTLIER" validate="False" model="5" chain="A" resnum="76" said="A" ent="1" seq="76" icode=" " resname="MET" altcode=" "/>
	<ModelledSubgroup mogul-ignore="yes" validate="True" model="5" chain="A" resnum="990" said="B" ent="2" seq="." icode=" " resname="CA" altcode=" "/>
	<ModelledSubgroup mogul-ignore="yes" validate="True" model="5" chain="A" resnum="991" said="C" ent="2" seq="." icode=" " resname="CA" altcode=" "/>
	<ModelledSubgroup mogul_bonds_rmsz="3.29" mogul_rmsz_numbonds="4" mogul_angles_rmsz="1.19" mogul_rmsz_numangles="3" ligand_clashes_outlier="yes" ligand_num_clashes="7" ligand_num_symm_clashes="0" validate="True" model="5" chain="A" resnum="149" said="D" ent="3" seq="." icode=" " resname="HLT" altcode=" ">
		<mog-bond-outlier atoms="BR,C1" numobs="37" mean="1.96" stdev="0.03" mindiff="0.07" Zscore="-5.94" obsval="1.79"/>
		<clash atom="BR" dist="2.54" clashmag="1.10" cid="0"/>
		<clash atom="BR" dist="2.08" clashmag="1.04" cid="1"/>
		<clash atom="BR" dist="2.69" clashmag="0.95" cid="2"/>
		<clash atom="BR" dist="2.27" clashmag="0.82" cid="3"/>
		<clash atom="BR" dist="2.92" clashmag="0.82" cid="4"/>
		<clash atom="BR" dist="2.34" clashmag="0.78" cid="5"/>
		<clash atom="BR" dist="2.54" clashmag="0.54" cid="6"/>
	</ModelledSubgroup>
	<ModelledEntityInstance bonds_rmsz="0.78" num_bonds_rmsz="594" angles_rmsz="1.58" num_angles_rmsz="798" absolute_sidechain_percentile="3.16" relative_sidechain_percentile="3.16" absolute_rama_percentile="100.00" relative_rama_percentile="100.00" said="A" model="1" chain="A" ent="1"/>
	<ModelledEntityInstance bonds_rmsz="0.76" num_bonds_rmsz="594" angles_rmsz="1.54" num_angles_rmsz="798" absolute_sidechain_percentile="1.82" relative_sidechain_percentile="1.82" absolute_rama_percentile="100.00" relative_rama_percentile="100.00" said="A" model="2" chain="A" ent="1"/>
	<ModelledEntityInstance bonds_rmsz="0.78" num_bonds_rmsz="594" angles_rmsz="1.55" num_angles_rmsz="798" absolute_sidechain_percentile="1.82" relative_sidechain_percentile="1.82" absolute_rama_percentile="100.00" relative_rama_percentile="100.00" said="A" model="3" chain="A" ent="1"/>
	<ModelledEntityInstance bonds_rmsz="0.78" num_bonds_rmsz="594" angles_rmsz="1.55" num_angles_rmsz="798" absolute_sidechain_percentile="1.38" relative_sidechain_percentile="1.38" absolute_rama_percentile="100.00" relative_rama_percentile="100.00" said="A" model="4" chain="A" ent="1"/>
	<ModelledEntityInstance bonds_rmsz="0.78" num_bonds_rmsz="594" angles_rmsz="1.54" num_angles_rmsz="798" absolute_sidechain_percentile="1.82" relative_sidechain_percentile="1.82" absolute_rama_percentile="100.00" relative_rama_percentile="100.00" said="A" model="5" chain="A" ent="1"/>
	<programs>
		<program name="validation-pipeline" version="2.49" properties="PDB-Rfree,pdbid,PDB-resolution,PDB-revision-number,XMLcreationDate,PDB-revision-date,percentilebins,protein-DNA-RNA-entities,PDB-R,PDB-deposition-date,attemptedValidationSteps,PDB-resolution-low,extended_pdbid"/>
		<program name="mogul" version="2022.3.0, CSD as543be (2022)" properties="mogul-ignore,mogul-angle-outlier,mogul_rmsz_numangles,mogul-torsion-outlier,mogul-bond-outlier,mogul_rmsz_numbonds,mogul_bonds_rmsz,mogul_angles_rmsz"/>
		<program name="buster-report" version="unknown" properties="no-ligands-for-buster-report"/>
		<program name="molprobity" version="4-5-2 with Phenix2.0" properties="ligand_clashes_outlier,absolute_sidechain_percentile,psi,num_angles_rmsz,absolute_rama_percentile,clashscore-full-length,percent-rota-outliers-full-length,angle-outlier,rota,angles_rmsz,rama,bond-outlier,num-H-reduce,relative_sidechain_percentile,bonds_rmsz,num_bonds_rmsz,RestypesNotcheckedForBondAngleGeometry,clash,relative_rama_percentile,ligand_num_clashes,percent-rama-outliers-full-length,phi,ligand_num_symm_clashes"/>
		<program name="coreclust" version="2.49" properties="medoid_model,cyrange_domain_id,nmrclust_representative_model,nmrclust_cluster_id,nmrclust_version,nmrclust_representative,cyrange_version,nmrclust_number_of_outliers,nmrclust_number_of_clusters,nmrclust_error,nmrclust_number_of_models,cyrange_error,validate,cyrange_number_of_domains"/>
		<program name="chemicalshiftanalysis" version="v1.2" properties="panav_version,rci_version,chemical_shift_completeness,chemical_shift_completeness_full_length,shiftchecker_version"/>
		<program name="coreclust" version="unknown" properties="nmr_models_consistency_flag"/>
		<program name="nmrwriter" version="2.49" properties="percent-rota-outliers,percent-rama-outliers,clashscore"/>
		<program name="percentiles" version="20250101.v01 (using entries in the PDB archive January 1st 2025)" properties="relative-percentile-clashscore,numPDBids-absolute-percentile-clashscore,numPDBids-relative-percentile-clashscore,absolute-percentile-percent-rama-outliers,absolute-percentile-clashscore,numPDBids-absolute-percentile-percent-rama-outliers,numPDBids-relative-percentile-percent-rama-outliers,relative-percentile-percent-rota-outliers,absolute-percentile-percent-rota-outliers,numPDBids-absolute-percentile-percent-rota-outliers,relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-percent-rota-outliers"/>
	</programs>
</wwPDB-validation-information>
