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5h0s_validation.xml
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5h0s_validation.xml
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<?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_v002.xsd">
<Entry PDB-R="NotAvailable" PDB-Rfree="NotAvailable" PDB-deposition-date="2016-10-06" PDB-resolution="3.30" PDB-resolution-low="NotAvailable" PDB-revision-date="2017-01-25" PDB-revision-number="1" XMLcreationDate="Feb 16, 2018 -- 10:52 pm GMT" absolute-percentile-clashscore="1.4" absolute-percentile-percent-rama-outliers="4.8" absolute-percentile-percent-rota-outliers="5.1" angles_rmsz="1.34" attemptedValidationSteps="mogul,molprobity,validation-pack,percentiles,writexml" bonds_rmsz="1.39" clashscore="65.45" no-ligands-for-mogul="yes" num-H-reduce="18683" numPDBids-absolute-percentile-clashscore="136279" numPDBids-absolute-percentile-percent-rama-outliers="132675" numPDBids-absolute-percentile-percent-rota-outliers="132484" numPDBids-relative-percentile-clashscore="1886" numPDBids-relative-percentile-percent-rama-outliers="1663" numPDBids-relative-percentile-percent-rota-outliers="1531" num_angles_rmsz="26235" num_bonds_rmsz="19272" pdbid="5H0S" percent-rama-outliers="4.59" percent-rota-outliers="17.30" percentilebins="all,em" protein-DNA-RNA-entities="1" relative-percentile-clashscore="8.7" relative-percentile-percent-rama-outliers="17.1" relative-percentile-percent-rota-outliers="6.5"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="6" resname="THR" resnum="134" rota="p" said="A" seq="134"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="13" phi="-95.4" psi="141.4" rama="Favored" resname="LYS" resnum="135" rota="pttp" said="A" seq="135">
<clash atom="HD3" cid="230" clashmag="1.01" dist="1.59"/>
<clash atom="HE2" cid="77" clashmag="1.22" dist="1.30"/>
<clash atom="HE2" cid="520" clashmag="0.81" dist="1.61"/>
<clash atom="HE2" cid="1023" clashmag="0.63" dist="2.14"/>
<clash atom="HE2" cid="1098" clashmag="0.61" dist="2.30"/>
<clash atom="CD" cid="149" clashmag="1.11" dist="1.97"/>
<clash atom="HE3" cid="174" clashmag="1.08" dist="1.06"/>
<clash atom="HE3" cid="238" clashmag="1.00" dist="1.76"/>
<clash atom="CE" cid="46" clashmag="1.32" dist="1.77"/>
<clash atom="CE" cid="1014" clashmag="0.63" dist="2.28"/>
<clash atom="CE" cid="2050" clashmag="0.44" dist="2.93"/>
<clash atom="CE" cid="2258" clashmag="0.42" dist="2.65"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="9" phi="-86.5" psi="147.3" rama="Favored" resname="VAL" resnum="136" rota="t" said="A" seq="136"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="11" phi="-69.7" psi="124.3" rama="Favored" resname="ILE" resnum="137" rota="mm" said="A" seq="137"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="9" phi="-136.4" psi="119.5" rama="Favored" resname="PHE" resnum="138" rota="t80" said="A" seq="138"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" flippable-sidechain="1" icode=" " model="1" num-H-reduce="6" phi="-82.0" psi="-5.4" rama="Favored" resname="ASN" resnum="139" rota="m120" said="A" seq="139">
<clash atom="O" cid="686" clashmag="0.74" dist="1.88"/>
<clash atom="O" cid="819" clashmag="0.69" dist="2.10"/>
<clash atom="O" cid="1464" clashmag="0.53" dist="2.56"/>
<clash atom="O" cid="1814" clashmag="0.47" dist="2.63"/>
<clash atom="O" cid="2261" clashmag="0.42" dist="2.20"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="3" phi="-105.3" psi="-174.8" rama="Favored" resname="GLY" resnum="140" said="A" seq="140"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="11" phi="-93.0" psi="124.3" rama="Favored" resname="LEU" resnum="141" rota="tp" said="A" seq="141">
<clash atom="HD21" cid="2391" clashmag="0.41" dist="2.02"/>
<clash atom="HD11" cid="1289" clashmag="0.57" dist="1.87"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="4" phi="-107.0" psi="108.1" rama="Favored" resname="ASP" resnum="142" rota="t70" said="A" seq="142"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="9" phi="-101.3" psi="122.4" rama="Favored" resname="VAL" resnum="143" rota="m" said="A" seq="143"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="6" phi="-101.0" psi="-1.3" rama="Favored" resname="ASN" resnum="144" rota="p-10" said="A" seq="144">
<clash atom="H" cid="1518" clashmag="0.52" dist="1.58"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="7" phi="-138.6" psi="152.2" rama="Favored" resname="THR" resnum="145" rota="m" said="A" seq="145">
<clash atom="HB" cid="1152" clashmag="0.60" dist="1.83"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="6" phi="-128.9" psi="112.7" rama="Favored" resname="GLU" resnum="146" rota="mt-10" said="A" seq="146"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="9" phi="-89.4" psi="125.3" rama="Favored" resname="VAL" resnum="147" rota="p" said="A" seq="147">
<clash atom="HG13" cid="1999" clashmag="0.45" dist="1.99"/>
<clash atom="HB" cid="933" clashmag="0.66" dist="1.78"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" flippable-sidechain="1" icode=" " model="1" num-H-reduce="8" phi="-75.2" psi="174.1" rama="Favored" resname="GLN" resnum="148" rota="pt20" said="A" seq="148">
<clash atom="HB2" cid="1798" clashmag="0.47" dist="1.96"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="7" phi="-77.4" psi="92.3" rama="Allowed" resname="PRO" resnum="149" rota="Cg_endo" said="A" seq="149">
<clash atom="HD2" cid="1798" clashmag="0.47" dist="1.96"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="11" phi="-80.0" psi="91.6" rama="Favored" resname="LEU" resnum="150" rota="pp" said="A" seq="150">
<clash atom="O" cid="1725" clashmag="0.48" dist="2.12"/>
<clash atom="HD12" cid="1725" clashmag="0.48" dist="2.12"/>
<clash atom="HD21" cid="1591" clashmag="0.51" dist="1.93"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="5" phi="165.2" psi="159.4" rama="OUTLIER" resname="SER" resnum="151" rota="m" said="A" seq="151"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="4" phi="-136.3" psi="112.8" rama="Favored" resname="ASP" resnum="152" rota="m-20" said="A" seq="152"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="4" phi="-124.1" psi="-78.5" rama="Allowed" resname="ASP" resnum="153" rota="m-20" said="A" seq="153">
<clash atom="OD2" cid="2203" clashmag="0.42" dist="2.19"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="9" phi="-83.5" psi="176.8" rama="Favored" resname="PHE" resnum="154" rota="m-85" said="A" seq="154">
<clash atom="CG" cid="1837" clashmag="0.47" dist="2.50"/>
<clash atom="HA" cid="1861" clashmag="0.47" dist="2.15"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="13" phi="-141.2" psi="152.3" rama="Favored" resname="LYS" resnum="155" rota="pttp" said="A" seq="155"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="8" phi="-103.5" psi="108.8" rama="Favored" resname="GLN" resnum="156" rota="mp0" said="A" seq="156">
<clash atom="HG2" cid="1824" clashmag="0.47" dist="1.96"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="11" phi="-84.8" psi="-42.0" rama="Favored" resname="ILE" resnum="157" rota="pt" said="A" seq="157">
<clash atom="HG12" cid="2401" clashmag="0.41" dist="2.21"/>
<clash atom="HD13" cid="2077" clashmag="0.44" dist="1.98"/>
<clash atom="O" cid="1761" clashmag="0.48" dist="2.26"/>
<clash atom="HD12" cid="2402" clashmag="0.41" dist="2.02"/>
<clash atom="HG21" cid="1775" clashmag="0.48" dist="1.95"/>
<clash atom="HD11" cid="1392" clashmag="0.55" dist="1.88"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="5" phi="74.0" psi="-17.4" rama="Allowed" resname="SER" resnum="158" rota="p" said="A" seq="158">
<clash atom="OG" cid="1761" clashmag="0.48" dist="2.26"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="4" phi="-140.6" psi="82.7" rama="Favored" resname="ASP" resnum="159" rota="m-20" said="A" seq="159"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="7" phi="-67.5" psi="150.7" rama="Favored" resname="PRO" resnum="160" rota="Cg_endo" said="A" seq="160">
<clash atom="HA" cid="2402" clashmag="0.41" dist="2.02"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="13" phi="-127.6" psi="137.9" rama="Favored" resname="LYS" resnum="161" rota="ptpt" said="A" seq="161"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="3" phi="-80.7" psi="178.1" rama="Favored" resname="GLY" resnum="162" said="A" seq="162"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="9" phi="-81.8" psi="-25.0" rama="Favored" resname="TYR" resnum="163" rota="m-85" said="A" seq="163"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="11" phi="-116.7" psi="157.1" rama="Favored" resname="LEU" resnum="164" rota="mp" said="A" seq="164"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="7" phi="-148.8" psi="173.0" rama="Favored" resname="THR" resnum="165" rota="m" said="A" seq="165">
<clash atom="HG22" cid="1950" clashmag="0.45" dist="2.30"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="9" phi="-101.3" psi="118.1" rama="Favored" resname="TYR" resnum="166" rota="m-85" said="A" seq="166">
<clash atom="N" cid="1950" clashmag="0.45" dist="2.30"/>
<clash atom="OH" cid="1988" clashmag="0.45" dist="2.31"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="5" phi="-102.6" psi="125.2" rama="Favored" resname="SER" resnum="167" rota="p" said="A" seq="167">
<clash atom="OG" cid="1205" clashmag="0.59" dist="2.21"/>
</ModelledSubgroup>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="9" phi="-113.4" psi="130.3" rama="Favored" resname="VAL" resnum="168" rota="t" said="A" seq="168"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="13" phi="-111.6" psi="114.3" rama="Favored" resname="LYS" resnum="169" rota="mtpp" said="A" seq="169"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="9" phi="-89.3" psi="144.2" rama="Favored" resname="TYR" resnum="170" rota="m-85" said="A" seq="170"/>
<ModelledSubgroup altcode=" " chain="B" ent="1" icode=" " model="1" num-H-reduce="6" phi="-84.8" psi="125.3" rama="Favored" resname="GLU" resnum="171" rota="tp10" said="A" seq="171"/>
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