6ex9 - XML format - Validation reportDownload

-wwPDB-validation-information xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="http://wwpdb.org/validation/schema/wwpdb_validation_v002.xsd"
Entry B_factor_type="FULL" CCP4version="7.0 (Gargrove)" DCC_R="0.23" DCC_Rfree="0.28" DCC_refinement_program="PHENIX" DataAnisotropy="0.162" DataCompleteness="99.99" EDS_R="0.23" EDS_resolution="2.01" EDS_resolution_low="68.25" Fo_Fc_correlation="0.955" IoverSigma="2.45(2.02A)" PDB-R="0.23" PDB-Rfree="0.28" PDB-deposition-date="2017-11-07" PDB-resolution="2.01" PDB-resolution-low="68.25" PDB-revision-date="2018-06-06" PDB-revision-number="1" RefmacVersion="5.8.0158" TransNCS="The largest off-origin peak in the Patterson function is 7.24% of the height of the origin peak. No significant pseudotranslation is detected." TwinL="0.485" TwinL2="0.316" WilsonBaniso="[45.193,45.193,38.236,0.000,0.000,0.000]" WilsonBestimate="42.460" XMLcreationDate="May 29, 2018 -- 02:15 PM EDT" absolute-percentile-DCC_Rfree="13.9" absolute-percentile-clashscore="69.2" absolute-percentile-percent-RSRZ-outliers="66.5" absolute-percentile-percent-rama-outliers="100.0" absolute-percentile-percent-rota-outliers="63.5" acentric_outliers="1" angles_rmsz="0.54" attemptedValidationSteps="mogul,molprobity,validation-pack,xtriage,eds,percentiles,writexml" babinet_b="97.686" babinet_k="0.167" bonds_rmsz="0.44" bulk_solvent_b="51.359" bulk_solvent_k="0.334" centric_outliers="0" clashscore="3.95" high-resol-relative-percentile-DCC_Rfree="2.0" high-resol-relative-percentile-clashscore="2.0" high-resol-relative-percentile-percent-RSRZ-outliers="2.0" high-resol-relative-percentile-percent-rama-outliers="2.0" high-resol-relative-percentile-percent-rota-outliers="2.0" low-resol-relative-percentile-DCC_Rfree="2.04" low-resol-relative-percentile-clashscore="2.04" low-resol-relative-percentile-percent-RSRZ-outliers="2.04" low-resol-relative-percentile-percent-rama-outliers="2.04" low-resol-relative-percentile-percent-rota-outliers="2.04" no-ligands-for-mogul="yes" num-H-reduce="1102" num-free-reflections="810" numMillerIndices="15682" numPDBids-absolute-percentile-DCC_Rfree="111664" numPDBids-absolute-percentile-clashscore="122126" numPDBids-absolute-percentile-percent-RSRZ-outliers="108989" numPDBids-absolute-percentile-percent-rama-outliers="120053" numPDBids-absolute-percentile-percent-rota-outliers="120020" numPDBids-relative-percentile-DCC_Rfree="9172" numPDBids-relative-percentile-clashscore="10355" numPDBids-relative-percentile-percent-RSRZ-outliers="8961" numPDBids-relative-percentile-percent-rama-outliers="10237" numPDBids-relative-percentile-percent-rota-outliers="10236" num_angles_rmsz="1633" num_bonds_rmsz="1202" pdbid="6EX9" percent-RSRZ-outliers="1.94" percent-free-reflections="5.17" percent-rama-outliers="0.00" percent-rota-outliers="1.74" percentilebins="all,2.014,xray" protein-DNA-RNA-entities="1,2" relative-percentile-DCC_Rfree="7.3" relative-percentile-clashscore="68.9" relative-percentile-percent-RSRZ-outliers="66.1" relative-percentile-percent-rama-outliers="100.0" relative-percentile-percent-rota-outliers="66.3" xtriage_input_columns="F_meas_au,F_meas_sigma_au"
ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="65.420" resname="SER" resnum="57" rota="m" rscc="0.833" rsr="0.401" rsrz="4.768" said="A" seq="1"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="63.060" phi="-51.2" psi="-23.8" rama="Favored" resname="PRO" resnum="58" rota="Cg_exo" rscc="0.734" rsr="0.260" rsrz="2.483" said="A" seq="2"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="48.720" phi="-123.7" psi="26.9" rama="Favored" resname="GLY" resnum="59" rscc="0.910" rsr="0.140" rsrz="0.417" said="A" seq="3"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="48.900" phi="-103.0" psi="128.2" rama="Favored" resname="ILE" resnum="60" rota="mt" rscc="0.967" rsr="0.157" rsrz="0.592" said="A" seq="4"
ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="10" owab="37.000" phi="-128.4" psi="147.4" rama="Favored" resname="TRP" resnum="61" rota="m95" rscc="0.975" rsr="0.123" rsrz="0.201" said="A" seq="5"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="52.220" phi="-111.2" psi="129.8" rama="Favored" resname="GLN" resnum="62" rota="tt0" rscc="0.918" rsr="0.163" rsrz="0.295" said="A" seq="6"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="46.980" phi="-118.2" psi="133.8" rama="Favored" resname="LEU" resnum="63" rota="mp" rscc="0.966" rsr="0.123" rsrz="-0.111" said="A" seq="7"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="54.980" phi="-141.7" psi="164.2" rama="Favored" resname="ASP" resnum="64" rota="t70" rscc="0.948" rsr="0.131" rsrz="-0.023" said="A" seq="8"
ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="60.530" phi="-126.9" psi="113.9" rama="Favored" resname="CYS" resnum="65" rota="t" rscc="0.886" rsr="0.140" rsrz="0.792" said="A" seq="9"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="54.270" phi="-129.0" psi="171.6" rama="Favored" resname="THR" resnum="66" rota="t" rscc="0.903" rsr="0.140" rsrz="0.379" said="A" seq="10"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="45.220" phi="55.0" psi="34.6" rama="Favored" resname="GLU" resnum="69" rota="mt-10" rscc="0.950" rsr="0.125" rsrz="-0.424" said="A" seq="13"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="52.730" phi="61.7" psi="34.9" rama="Favored" resname="GLY" resnum="70" rscc="0.961" rsr="0.073" rsrz="-0.713" said="A" seq="14"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="51.180" phi="-131.1" psi="171.8" rama="Favored" resname="LYS" resnum="71" rota="mttp" rscc="0.922" rsr="0.139" rsrz="-0.314" said="A" seq="15"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="51.380" phi="-109.9" psi="130.8" rama="Favored" resname="VAL" resnum="72" rota="t" rscc="0.981" rsr="0.150" rsrz="0.530" said="A" seq="16"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="43.790" phi="-118.7" psi="123.4" rama="Favored" resname="ILE" resnum="73" rota="mt" rscc="0.970" rsr="0.156" rsrz="0.572" said="A" seq="17"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="38.600" phi="-122.4" psi="125.2" rama="Favored" resname="VAL" resnum="75" rota="t" rscc="0.982" rsr="0.123" rsrz="-0.014" said="A" seq="19"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="32.500" phi="-112.3" psi="130.2" rama="Favored" resname="ALA" resnum="76" rscc="0.966" rsr="0.129" rsrz="0.240" said="A" seq="20"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="34.520" phi="-120.4" psi="120.3" rama="Favored" resname="VAL" resnum="77" rota="t" rscc="0.978" rsr="0.154" rsrz="0.611" said="A" seq="21"
ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="33.170" phi="-77.2" psi="105.7" rama="Favored" resname="HIS" resnum="78" rota="t-80" rscc="0.979" rsr="0.135" rsrz="0.183" said="A" seq="22"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="37.360" phi="-58.6" psi="-41.0" rama="Favored" resname="VAL" resnum="79" rota="t" rscc="0.986" rsr="0.119" rsrz="-0.095" said="A" seq="23"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="35.610" phi="-70.7" psi="-25.6" rama="Favored" resname="ALA" resnum="80" rscc="0.975" rsr="0.131" rsrz="0.277" said="A" seq="24"
ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="30.730" phi="-110.1" psi="-18.8" rama="Favored" resname="SER" resnum="81" rota="p" rscc="0.982" rsr="0.146" rsrz="0.409" said="A" seq="25"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="32.820" phi="74.3" psi="4.4" rama="Favored" resname="GLY" resnum="82" rscc="0.981" rsr="0.107" rsrz="-0.140" said="A" seq="26"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="34.220" phi="-123.6" psi="141.8" rama="Favored" resname="ILE" resnum="84" rota="mt" rscc="0.950" rsr="0.174" rsrz="0.941" said="A" seq="28"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="48.030" phi="-153.7" psi="145.9" rama="Favored" resname="GLU" resnum="87" rota="tt0" rscc="0.904" rsr="0.147" rsrz="-0.125" said="A" seq="31"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="45.310" phi="-83.8" psi="120.2" rama="Favored" resname="VAL" resnum="88" rota="t" rscc="0.968" rsr="0.155" rsrz="0.631" said="A" seq="32"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="50.550" phi="-105.1" psi="146.8" rama="Favored" resname="ILE" resnum="89" rota="pt" rscc="0.958" rsr="0.132" rsrz="0.080" said="A" seq="33"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="61.490" phi="-57.7" psi="-38.2" rama="Favored" resname="PRO" resnum="90" rota="Cg_exo" rscc="0.951" rsr="0.149" rsrz="0.539" said="A" seq="34"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="62.220" phi="-154.3" psi="153.8" rama="Favored" resname="ALA" resnum="91" rscc="0.929" rsr="0.211" rsrz="1.764" said="A" seq="35"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="66.040" phi="-78.5" psi="52.9" rama="Allowed" resname="GLU" resnum="92" rota="tt0" rscc="0.903" rsr="0.148" rsrz="-0.111" said="A" seq="36"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="61.870" phi="-109.5" psi="159.8" rama="Favored" resname="THR" resnum="93" rota="p" rscc="0.971" rsr="0.139" rsrz="0.360" said="A" seq="37"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="55.930" phi="-59.4" psi="-34.5" rama="Favored" resname="GLY" resnum="94" rscc="0.953" rsr="0.125" rsrz="0.164" said="A" seq="38"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="2" owab="49.260" phi="-58.5" psi="-49.4" rama="Favored" resname="GLN" resnum="95" rscc="0.911" rsr="0.094" rsrz="-0.728" said="A" seq="39"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="53.940" phi="-69.4" psi="-32.2" rama="Favored" resname="GLU" resnum="96" rota="mm-40" rscc="0.922" rsr="0.156" rsrz="-0.003" said="A" seq="40"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="45.200" phi="-70.6" psi="-34.0" rama="Favored" resname="THR" resnum="97" rota="m" rscc="0.968" rsr="0.124" rsrz="0.083" said="A" seq="41"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="41.210" phi="-69.2" psi="-40.2" rama="Favored" resname="ALA" resnum="98" rscc="0.967" rsr="0.148" rsrz="0.593" said="A" seq="42"
ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="39.380" phi="-59.4" psi="-53.1" rama="Favored" resname="TYR" resnum="99" rota="t80" rscc="0.947" rsr="0.116" rsrz="-0.036" said="A" seq="43"
ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="36.850" phi="-53.3" psi="-47.9" rama="Favored" resname="PHE" resnum="100" rota="t80" rscc="0.965" rsr="0.142" rsrz="0.448" said="A" seq="44"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="41.130" phi="-62.2" psi="-40.0" rama="Favored" resname="LEU" resnum="101" rota="mt" rscc="0.972" rsr="0.188" rsrz="1.200" said="A" seq="45"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="38.990" phi="-61.9" psi="-45.6" rama="Favored" resname="LEU" resnum="102" rota="tp" rscc="0.959" rsr="0.183" rsrz="1.099" said="A" seq="46"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="39.420" phi="-58.5" psi="-47.5" rama="Favored" resname="LYS" resnum="103" rota="mtmt" rscc="0.959" rsr="0.138" rsrz="-0.327" said="A" seq="47"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="33.490" phi="-56.7" psi="-44.1" rama="Favored" resname="LEU" resnum="104" rota="tp" rscc="0.967" rsr="0.150" rsrz="0.433" said="A" seq="48"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="35.150" phi="-71.2" psi="-22.7" rama="Favored" resname="ALA" resnum="105" rscc="0.984" rsr="0.131" rsrz="0.277" said="A" seq="49"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="35.450" phi="-80.1" psi="-11.9" rama="Favored" resname="GLY" resnum="106" rscc="0.979" rsr="0.128" rsrz="0.214" said="A" seq="50"
ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="43.000" phi="-96.2" psi="-40.6" rama="Favored" resname="ARG" resnum="107" rota="mtm-85" rscc="0.903" rsr="0.176" rsrz="0.422" said="A" seq="51"
ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="10" owab="35.250" phi="-129.3" psi="153.9" rama="Favored" resname="TRP" resnum="108" rota="m95" rscc="0.985" rsr="0.126" rsrz="0.270" said="A" seq="52"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="45.930" phi="-69.0" psi="92.2" rama="Allowed" resname="PRO" resnum="109" rota="Cg_exo" rscc="0.953" rsr="0.108" rsrz="-0.179" said="A" seq="53"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="43.230" phi="-94.6" psi="111.2" rama="Favored" resname="VAL" resnum="110" rota="t" rscc="0.937" rsr="0.119" rsrz="-0.095" said="A" seq="54"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="54.320" phi="-105.6" psi="-40.6" rama="Favored" resname="LYS" resnum="111" rota="mmpt?" rscc="0.938" rsr="0.169" rsrz="0.097" said="A" seq="55"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="51.090" phi="-137.8" psi="137.6" rama="Favored" resname="THR" resnum="112" rota="m" rscc="0.957" rsr="0.135" rsrz="0.287" said="A" seq="56"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="50.640" phi="-118.8" psi="135.6" rama="Favored" resname="ILE" resnum="113" rota="pt" rscc="0.977" rsr="0.167" rsrz="0.797" said="A" seq="57"
ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="57.900" phi="-105.9" psi="125.4" rama="Favored" resname="HIS" resnum="114" rota="m80" rscc="0.881" rsr="0.194" rsrz="1.171" said="A" seq="58"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="55.740" phi="-131.9" psi="172.3" rama="Favored" resname="THR" resnum="115" rota="p" rscc="0.965" rsr="0.110" rsrz="-0.176" said="A" seq="59"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="65.100" phi="-80.5" psi="-160.8" rama="Allowed" resname="ASP" resnum="116" rota="p30" rscc="0.890" rsr="0.134" rsrz="0.023" said="A" seq="60"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="74.680" phi="-110.3" psi="17.1" rama="Favored" resname="ASN" resnum="117" rota="m-80" rscc="0.899" rsr="0.204" rsrz="1.190" said="A" seq="61"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="72.430" phi="-53.2" psi="154.6" rama="Favored" resname="GLY" resnum="118" rscc="0.928" rsr="0.088" rsrz="-0.460" said="A" seq="62"
ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="76.310" phi="-64.5" psi="-19.1" rama="Favored" resname="SER" resnum="119" rota="p" rscc="0.895" rsr="0.136" rsrz="0.238" said="A" seq="63"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="67.430" phi="-78.9" psi="-20.3" rama="Favored" resname="ASN" resnum="120" rota="p-10" rscc="0.854" rsr="0.181" rsrz="0.825" said="A" seq="64"
ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="61.420" phi="-102.2" psi="-12.8" rama="Favored" resname="PHE" resnum="121" rota="m-85" rscc="0.937" rsr="0.151" rsrz="0.634" said="A" seq="65"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="63.510" phi="-60.9" psi="174.3" rama="Favored" resname="GLY" resnum="123" rscc="0.911" rsr="0.116" rsrz="0.012" said="A" seq="67"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="58.900" phi="-70.7" psi="-38.5" rama="Favored" resname="ALA" resnum="124" rscc="0.956" rsr="0.107" rsrz="-0.169" said="A" seq="68"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="57.920" phi="-68.3" psi="-35.1" rama="Favored" resname="THR" resnum="125" rota="p" rscc="0.932" rsr="0.181" rsrz="1.137" said="A" seq="69"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="55.840" phi="-66.8" psi="-43.0" rama="Favored" resname="VAL" resnum="126" rota="t" rscc="0.968" rsr="0.125" rsrz="0.026" said="A" seq="70"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="2" owab="56.750" phi="-58.5" psi="-40.4" rama="Favored" resname="ARG" resnum="127" rscc="0.900" rsr="0.096" rsrz="-0.759" said="A" seq="71"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="53.510" phi="-68.8" psi="-44.2" rama="Favored" resname="ALA" resnum="128" rscc="0.955" rsr="0.118" rsrz="0.035" said="A" seq="72"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="50.240" phi="-58.2" psi="-42.0" rama="Favored" resname="ALA" resnum="129" rscc="0.961" rsr="0.157" rsrz="0.760" said="A" seq="73"
ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="51.860" phi="-67.7" psi="-38.8" rama="Favored" resname="CYS" resnum="130" rota="m" rscc="0.947" rsr="0.123" rsrz="0.403" said="A" seq="74"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="2" owab="52.960" phi="-58.3" psi="-50.1" rama="Favored" resname="ASP" resnum="131" rscc="0.938" rsr="0.100" rsrz="-0.495" said="A" seq="75"
ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="10" owab="47.620" phi="-63.9" psi="-46.3" rama="Favored" resname="TRP" resnum="132" rota="t90" rscc="0.951" rsr="0.111" rsrz="-0.073" said="A" seq="76"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="49.380" phi="-75.8" psi="-17.6" rama="Favored" resname="ALA" resnum="133" rscc="0.945" rsr="0.133" rsrz="0.314" said="A" seq="77"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="53.120" phi="80.6" psi="52.6" rama="Favored" resname="GLY" resnum="134" rscc="0.951" rsr="0.102" rsrz="-0.224" said="A" seq="78"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="51.930" phi="-121.2" psi="124.6" rama="Favored" resname="ILE" resnum="135" rota="mt" rscc="0.951" rsr="0.116" rsrz="-0.248" said="A" seq="79"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="2" owab="55.210" phi="-83.1" psi="136.5" rama="Favored" resname="LYS" resnum="136" rscc="0.957" rsr="0.106" rsrz="-0.766" said="A" seq="80"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="61.940" phi="-103.5" psi="150.4" rama="Favored" resname="GLN" resnum="137" rota="mt-30" rscc="0.877" rsr="0.164" rsrz="0.310" said="A" seq="81"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="71.550" phi="-132.6" psi="151.4" rama="Favored" resname="GLU" resnum="138" rota="mm-40" rscc="0.886" rsr="0.184" rsrz="0.378" said="A" seq="82"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="1" owab="76.970" resname="GLN" resnum="148" rscc="0.434" rsr="0.235" rsrz="1.364" said="A" seq="92"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="70.990" phi="-68.3" psi="9.7" rama="Allowed" resname="GLY" resnum="149" rscc="0.668" rsr="0.265" rsrz="2.524" said="A" seq="93"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="55.380" phi="-64.7" psi="-43.6" rama="Favored" resname="VAL" resnum="150" rota="t" rscc="0.943" rsr="0.148" rsrz="0.490" said="A" seq="94"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="2" owab="59.060" phi="-57.5" psi="-51.6" rama="Favored" resname="VAL" resnum="151" rscc="0.902" rsr="0.141" rsrz="0.349" said="A" seq="95"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="2" owab="59.010" phi="-64.5" psi="-38.9" rama="Favored" resname="GLU" resnum="152" rscc="0.952" rsr="0.107" rsrz="-0.668" said="A" seq="96"
ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="53.470" phi="-57.5" psi="-39.7" rama="Favored" resname="SER" resnum="153" rota="t" rscc="0.948" rsr="0.109" rsrz="-0.224" said="A" seq="97"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="44.680" phi="-80.2" psi="-39.7" rama="Favored" resname="MET" resnum="154" rota="mmt" rscc="0.970" rsr="0.136" rsrz="0.248" said="A" seq="98"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="52.130" phi="-59.0" psi="-41.1" rama="Favored" resname="ASN" resnum="155" rota="m-20" rscc="0.943" rsr="0.167" rsrz="0.603" said="A" seq="99"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="2" owab="44.760" phi="-67.2" psi="-44.9" rama="Favored" resname="LYS" resnum="156" rscc="0.974" rsr="0.126" rsrz="-0.492" said="A" seq="100"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="50.790" phi="-62.1" psi="-40.6" rama="Favored" resname="GLU" resnum="157" rota="tp10" rscc="0.918" rsr="0.170" rsrz="0.188" said="A" seq="101"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="41.920" phi="-67.7" psi="-47.3" rama="Favored" resname="LEU" resnum="158" rota="tp" rscc="0.979" rsr="0.186" rsrz="1.159" said="A" seq="102"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="2" owab="42.460" phi="-61.7" psi="-43.4" rama="Favored" resname="LYS" resnum="160" rscc="0.933" rsr="0.131" rsrz="-0.423" said="A" seq="104"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="37.910" phi="-68.9" psi="-41.2" rama="Favored" resname="ILE" resnum="161" rota="mt" rscc="0.964" rsr="0.156" rsrz="0.572" said="A" seq="105"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="35.560" phi="-59.0" psi="-43.8" rama="Favored" resname="ILE" resnum="162" rota="mt" rscc="0.980" rsr="0.129" rsrz="0.018" said="A" seq="106"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="38.830" phi="-55.9" psi="-38.9" rama="Favored" resname="GLY" resnum="163" rscc="0.972" rsr="0.081" rsrz="-0.578" said="A" seq="107"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="46.800" phi="-75.5" psi="-23.6" rama="Favored" resname="GLN" resnum="164" rota="mt-30" rscc="0.953" rsr="0.169" rsrz="0.384" said="A" seq="108"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="42.360" phi="-109.0" psi="-9.2" rama="Favored" resname="VAL" resnum="165" rota="m" rscc="0.960" rsr="0.146" rsrz="0.450" said="A" seq="109"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="51.640" phi="-68.0" psi="-17.9" rama="Favored" resname="ASP" resnum="167" rota="m-20" rscc="0.911" rsr="0.131" rsrz="-0.023" said="A" seq="111"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="52.290" phi="-89.2" psi="-1.0" rama="Favored" resname="GLN" resnum="168" rota="mt-30" rscc="0.941" rsr="0.101" rsrz="-0.625" said="A" seq="112"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="50.650" phi="-122.9" psi="130.4" rama="Favored" resname="ALA" resnum="169" rscc="0.969" rsr="0.150" rsrz="0.630" said="A" seq="113"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="58.960" phi="-54.6" psi="-39.7" rama="Favored" resname="GLU" resnum="170" rota="tt0" rscc="0.889" rsr="0.185" rsrz="0.391" said="A" seq="114"
ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="52.560" phi="-128.9" psi="148.9" rama="Favored" resname="HIS" resnum="171" rota="m80" rscc="0.910" rsr="0.147" rsrz="0.384" said="A" seq="115"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="37.430" phi="-46.9" psi="-50.3" rama="Favored" resname="LEU" resnum="172" rota="tp" rscc="0.921" rsr="0.136" rsrz="0.151" said="A" seq="116"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="43.370" phi="-52.3" psi="-40.7" rama="Favored" resname="LYS" resnum="173" rota="ptmt" rscc="0.940" rsr="0.158" rsrz="-0.053" said="A" seq="117"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="37.570" phi="-66.1" psi="-45.6" rama="Favored" resname="THR" resnum="174" rota="m" rscc="0.984" rsr="0.115" rsrz="-0.083" said="A" seq="118"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="34.370" phi="-58.1" psi="-39.4" rama="Favored" resname="ALA" resnum="175" rscc="0.960" rsr="0.127" rsrz="0.203" said="A" seq="119"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="34.240" phi="-58.4" psi="-47.6" rama="Favored" resname="VAL" resnum="176" rota="t" rscc="0.975" rsr="0.128" rsrz="0.087" said="A" seq="120"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="33.000" phi="-71.1" psi="-28.4" rama="Favored" resname="GLN" resnum="177" rota="mm-40" rscc="0.969" rsr="0.137" rsrz="-0.091" said="A" seq="121"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="37.310" phi="-63.9" psi="-42.0" rama="Favored" resname="MET" resnum="178" rota="mtp" rscc="0.976" rsr="0.124" rsrz="0.028" said="A" seq="122"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="35.530" phi="-67.3" psi="-39.1" rama="Favored" resname="ALA" resnum="179" rscc="0.980" rsr="0.138" rsrz="0.407" said="A" seq="123"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="30.990" phi="-60.4" psi="-46.8" rama="Favored" resname="VAL" resnum="180" rota="t" rscc="0.977" rsr="0.137" rsrz="0.268" said="A" seq="124"
ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="36.580" phi="-53.2" psi="-60.6" rama="Favored" resname="PHE" resnum="181" rota="t80" rscc="0.973" rsr="0.135" rsrz="0.304" said="A" seq="125"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="36.760" phi="-51.4" psi="-45.3" rama="Favored" resname="ILE" resnum="182" rota="mt" rscc="0.975" rsr="0.136" rsrz="0.162" said="A" seq="126"
ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="34.760" phi="-62.0" psi="-50.3" rama="Favored" resname="HIS" resnum="183" rota="t60" rscc="0.946" rsr="0.127" rsrz="0.049" said="A" seq="127"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="31.680" phi="-72.3" psi="-21.9" rama="Favored" resname="ASN" resnum="184" rota="m-20" rscc="0.971" rsr="0.115" rsrz="-0.222" said="A" seq="128"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="36.970" phi="-95.2" psi="-12.5" rama="Favored" resname="LYS" resnum="185" rota="mmtt" rscc="0.977" rsr="0.124" rsrz="-0.519" said="A" seq="129"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="2" owab="43.510" phi="-77.1" psi="132.0" rama="Favored" resname="LYS" resnum="186" rscc="0.967" rsr="0.109" rsrz="-0.725" said="A" seq="130"
ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="61.370" phi="-89.5" psi="163.6" rama="Favored" resname="ARG" resnum="187" rota="OUTLIER" rscc="0.880" rsr="0.139" rsrz="-0.124" said="A" seq="131"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="2" owab="70.270" resname="LYS" resnum="188" rscc="0.774" rsr="0.176" rsrz="0.193" said="A" seq="132"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="2" owab="69.280" resname="GLY" resnum="193" rscc="0.790" rsr="0.166" rsrz="0.855" said="A" seq="137"
ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="56.410" phi="70.9" psi="97.5" rama="Allowed" resname="TYR" resnum="194" rota="m-85" rscc="0.933" rsr="0.157" rsrz="0.831" said="A" seq="138"
ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="40.510" phi="-61.1" psi="170.3" rama="Allowed" resname="SER" resnum="195" rota="p" rscc="0.937" rsr="0.131" rsrz="0.152" said="A" seq="139"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="33.510" phi="-65.0" psi="-35.0" rama="Favored" resname="ALA" resnum="196" rscc="0.973" rsr="0.125" rsrz="0.165" said="A" seq="140"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="29.740" phi="-68.6" psi="-32.3" rama="Favored" resname="GLY" resnum="197" rscc="0.983" rsr="0.121" rsrz="0.096" said="A" seq="141"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="42.050" phi="-76.7" psi="-34.3" rama="Favored" resname="GLU" resnum="198" rota="mt-10" rscc="0.945" rsr="0.130" rsrz="-0.356" said="A" seq="142"
ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="37.910" phi="-65.5" psi="-44.4" rama="Favored" resname="ARG" resnum="199" rota="tpp180" rscc="0.961" rsr="0.134" rsrz="-0.198" said="A" seq="143"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="29.990" phi="-59.0" psi="-45.4" rama="Favored" resname="ILE" resnum="200" rota="tt" rscc="0.978" rsr="0.155" rsrz="0.551" said="A" seq="144"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="35.980" phi="-71.3" psi="-31.8" rama="Favored" resname="VAL" resnum="201" rota="m" rscc="0.922" rsr="0.167" rsrz="0.873" said="A" seq="145"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="37.470" phi="-54.5" psi="-50.5" rama="Favored" resname="ILE" resnum="203" rota="mt" rscc="0.966" rsr="0.148" rsrz="0.408" said="A" seq="147"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="42.140" phi="-68.8" psi="-45.6" rama="Favored" resname="ILE" resnum="204" rota="mt" rscc="0.972" rsr="0.141" rsrz="0.264" said="A" seq="148"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="48.250" phi="-58.2" psi="-32.6" rama="Favored" resname="ALA" resnum="205" rscc="0.968" rsr="0.107" rsrz="-0.169" said="A" seq="149"
ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="40.600" phi="-73.4" psi="-39.0" rama="Favored" resname="THR" resnum="206" rota="m" rscc="0.806" rsr="0.139" rsrz="0.360" said="A" seq="150"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="69.300" phi="-67.0" psi="8.6" rama="Allowed" resname="ASP" resnum="207" rota="OUTLIER" rscc="0.810" rsr="0.158" rsrz="0.388" said="A" seq="151"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="68.330" resname="ILE" resnum="208" rota="mt" rscc="0.747" rsr="0.168" rsrz="0.818" said="A" seq="152"
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="54.960" resname="HOH" resnum="302" rscc="0.832" rsr="0.223" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="53.020" resname="HOH" resnum="303" rscc="0.765" rsr="0.162" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="58.950" resname="HOH" resnum="304" rscc="0.730" rsr="0.284" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="49.800" resname="HOH" resnum="305" rscc="0.952" rsr="0.341" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="33.490" resname="HOH" resnum="306" rscc="0.924" rsr="0.154" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="34.200" resname="HOH" resnum="307" rscc="0.945" rsr="0.172" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="53.720" resname="HOH" resnum="308" rscc="0.783" rsr="0.150" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="52.580" resname="HOH" resnum="309" rscc="0.869" rsr="0.627" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="39.420" resname="HOH" resnum="310" rscc="0.943" rsr="0.129" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="36.570" resname="HOH" resnum="311" rscc="0.953" rsr="0.077" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="66.880" resname="HOH" resnum="312" rscc="0.334" rsr="0.148" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="64.400" resname="HOH" resnum="313" rscc="0.367" rsr="0.207" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="56.870" resname="HOH" resnum="314" rscc="0.562" rsr="0.251" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="38.010" resname="HOH" resnum="315" rscc="0.936" rsr="0.137" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="39.450" resname="HOH" resnum="316" rscc="0.950" rsr="0.412" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="66.280" resname="HOH" resnum="317" rscc="0.665" rsr="0.130" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="57.700" resname="HOH" resnum="318" rscc="0.701" rsr="0.214" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="45.590" resname="HOH" resnum="319" rscc="0.963" rsr="0.312" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="41.980" resname="HOH" resnum="320" rscc="0.869" rsr="0.191" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="38.340" resname="HOH" resnum="321" rscc="0.967" rsr="0.480" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="51.690" resname="HOH" resnum="322" rscc="0.855" rsr="0.160" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="32.800" resname="HOH" resnum="323" rscc="0.928" rsr="0.260" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="65.360" resname="HOH" resnum="324" rscc="0.724" rsr="0.115" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="44.320" resname="HOH" resnum="325" rscc="0.859" rsr="0.199" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="45.550" resname="HOH" resnum="326" rscc="0.912" rsr="0.124" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="39.910" resname="HOH" resnum="327" rscc="0.955" rsr="0.204" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="48.000" resname="HOH" resnum="328" rscc="0.833" rsr="0.535" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="47.630" resname="HOH" resnum="329" rscc="0.931" rsr="0.176" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="32.480" resname="HOH" resnum="330" rscc="0.942" rsr="0.155" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="59.130" resname="HOH" resnum="331" rscc="0.416" rsr="0.223" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="59.750" resname="HOH" resnum="332" rscc="0.730" rsr="0.148" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="50.760" resname="HOH" resnum="333" rscc="0.659" rsr="0.195" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="65.530" resname="HOH" resnum="334" rscc="0.487" rsr="0.254" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="70.540" resname="HOH" resnum="335" rscc="0.765" rsr="0.286" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="60.830" resname="HOH" resnum="336" rscc="0.870" rsr="0.210" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="70.080" resname="HOH" resnum="337" rscc="0.736" rsr="0.230" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="86.630" resname="HOH" resnum="338" rscc="0.764" rsr="0.330" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="60.040" resname="HOH" resnum="339" rscc="0.883" rsr="0.287" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="55.770" resname="HOH" resnum="340" rscc="0.704" rsr="0.401" said="C" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="57.180" resname="HOH" resnum="341" rscc="0.879" rsr="0.243" said="C" seq="."
ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="5" owab="42.470" phi="-128.2" psi="128.1" rama="Favored" resname="SER" resnum="2" rota="m" rscc="0.938" rsr="0.129" rsrz="0.118" said="B" seq="2"
ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="9" owab="41.590" phi="-110.9" psi="126.0" rama="Favored" resname="TYR" resnum="3" rota="m-85" rscc="0.960" rsr="0.150" rsrz="0.683" said="B" seq="3"
ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="9" owab="53.150" phi="-97.6" psi="172.2" rama="Favored" resname="PHE" resnum="4" rota="m-85" rscc="0.965" rsr="0.128" rsrz="0.159" said="B" seq="4"
ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="2" owab="58.360" phi="-61.7" psi="-51.3" rama="Favored" resname="TYR" resnum="5" rscc="0.862" rsr="0.122" rsrz="0.091" said="B" seq="5"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="4" owab="63.350" phi="-64.9" psi="168.7" rama="Favored" resname="ASP" resnum="6" rota="p30" rscc="0.848" rsr="0.146" rsrz="0.205" said="B" seq="6"
ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="3" owab="58.630" phi="-65.5" psi="-1.0" rama="Favored" resname="GLY" resnum="7" rscc="0.905" rsr="0.094" rsrz="-0.359" said="B" seq="7"
ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="5" owab="50.200" phi="-83.4" psi="167.2" rama="Favored" resname="SER" resnum="8" rota="p" rscc="0.940" rsr="0.120" rsrz="-0.036" said="B" seq="8"
ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="9" owab="44.520" phi="-151.5" psi="165.8" rama="Favored" resname="TYR" resnum="9" rota="p90" rscc="0.938" rsr="0.124" rsrz="0.133" said="B" seq="9"
ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="5" owab="40.240" phi="-130.4" psi="146.8" rama="Favored" resname="SER" resnum="10" rota="t" rscc="0.972" rsr="0.117" rsrz="-0.087" said="B" seq="10"
ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="9" owab="40.950" phi="-71.9" psi="-17.3" rama="Favored" resname="TYR" resnum="11" rota="m-85" rscc="0.950" rsr="0.125" rsrz="0.154" said="B" seq="11"
ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="9" owab="38.730" phi="-87.0" psi="142.3" rama="Favored" resname="TYR" resnum="12" rota="t80" rscc="0.976" rsr="0.126" rsrz="0.175" said="B" seq="12"
ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="4" owab="39.990" phi="-92.5" psi="96.3" rama="Favored" resname="ASP" resnum="13" rota="m-20" rscc="0.971" rsr="0.087" rsrz="-0.693" said="B" seq="13"
ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="9" owab="44.390" phi="-77.9" psi="-19.0" rama="Favored" resname="TYR" resnum="14" rota="m-85" rscc="0.944" rsr="0.120" rsrz="0.049" said="B" seq="14"
ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" num-H-reduce="6" owab="71.790" resname="GLU" resnum="15" rota="mm-40" rscc="0.816" rsr="0.211" rsrz="0.745" said="B" seq="15"
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="3" icode=" " model="1" owab="45.210" resname="HOH" resnum="101" rscc="0.958" rsr="0.114" said="D" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="3" icode=" " model="1" owab="36.880" resname="HOH" resnum="102" rscc="0.956" rsr="0.141" said="D" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="3" icode=" " model="1" owab="56.650" resname="HOH" resnum="103" rscc="0.658" rsr="0.278" said="D" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="3" icode=" " model="1" owab="53.190" resname="HOH" resnum="104" rscc="0.858" rsr="0.136" said="D" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="3" icode=" " model="1" owab="51.430" resname="HOH" resnum="105" rscc="0.921" rsr="0.287" said="D" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="3" icode=" " model="1" owab="47.090" resname="HOH" resnum="106" rscc="0.862" rsr="0.153" said="D" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="3" icode=" " model="1" owab="54.550" resname="HOH" resnum="107" rscc="0.749" rsr="0.243" said="D" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="3" icode=" " model="1" owab="74.290" resname="HOH" resnum="108" rscc="0.664" rsr="0.282" said="D" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="3" icode=" " model="1" owab="62.580" resname="HOH" resnum="109" rscc="0.705" rsr="0.272" said="D" seq="."
ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="3" icode=" " model="1" owab="64.580" resname="HOH" resnum="110" rscc="0.759" rsr="0.146" said="D" seq="."
ModelledEntityInstance absolute_RSRZ_percentile="63.22" absolute_rama_percentile="100.00" absolute_sidechain_percentile="58.02" angles_rmsz="0.55" bonds_rmsz="0.43" chain="A" ent="1" model="1" num_angles_rmsz="1437" num_bonds_rmsz="1058" relative_RSRZ_percentile="62.98" relative_rama_percentile="100.00" relative_sidechain_percentile="59.92" said="A"
ModelledEntityInstance absolute_RSRZ_percentile="100.00" absolute_rama_percentile="100.00" absolute_sidechain_percentile="100.00" angles_rmsz="0.50" bonds_rmsz="0.51" chain="B" ent="2" model="1" num_angles_rmsz="196" num_bonds_rmsz="144" relative_RSRZ_percentile="100.00" relative_rama_percentile="100.00" relative_sidechain_percentile="100.00" said="B"