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SH3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBAOBBsing1.44Å1.44Å
CBAOAZsing1.44Å1.47Å
OBBCBCsing1.37Å1.36Å
CAICAGsing1.53Å1.54Å
OAAPABdoub1.48Å1.48Å
CAFCAGsing1.53Å1.53Å
CAFOAEsing1.43Å1.43Å
OAZCAYsing1.36Å1.36Å
CBCCAYdoub1.39Å1.33ÅAromatic
CBCCBDsing1.39Å1.34ÅAromatic
CAGCAHsing1.53Å1.54Å
CAGCAJsing1.53Å1.55Å
OAEPABsing1.61Å1.59Å
CAYCAXsing1.39Å1.33ÅAromatic
PABOACsing1.61Å1.62Å
PABOADsing1.61Å1.60Å
CBDCAVdoub1.38Å1.40ÅAromatic
OAKCAJsing1.43Å1.43Å
CAPCAQsing1.51Å1.52Å
CAPCAOsing1.53Å1.53Å
CAJCALsing1.51Å1.53Å
CAXCAWdoub1.38Å1.39ÅAromatic
NASCAQsing1.35Å1.34Å
NASCATsing1.47Å1.45Å
NANCALsing1.35Å1.34Å
NANCAOsing1.47Å1.46Å
CALOAMdoub1.21Å1.23Å
CAQOARdoub1.21Å1.23Å
CAVCAWsing1.38Å1.39ÅAromatic
CAVCAUsing1.51Å1.42Å
CATCAUsing1.53Å1.52Å
OACH1sing0.97Å0.95Å
OADH2sing0.97Å0.95Å
CAFH3sing1.09Å1.10Å
CAFH4sing1.09Å1.10Å
CAHH5sing1.09Å1.10Å
CAHH6sing1.09Å1.10Å
CAHH7sing1.09Å1.10Å
CAIH8sing1.09Å1.10Å
CAIH9sing1.09Å1.10Å
CAIH10sing1.09Å1.10Å
CAJH11sing1.09Å1.10Å
OAKH12sing0.97Å0.95Å
NANH13sing0.97Å1.00Å
CAOH14sing1.09Å1.10Å
CAOH15sing1.09Å1.10Å
CAPH16sing1.09Å1.10Å
CAPH17sing1.09Å1.10Å
NASH18sing0.97Å1.00Å
CATH19sing1.09Å1.10Å
CATH20sing1.09Å1.10Å
CAUH21sing1.09Å1.10Å
CAUH22sing1.09Å1.10Å
CBDH23sing1.08Å1.08Å
CBAH24sing1.09Å1.10Å
CBAH25sing1.09Å1.10Å
CAXH26sing1.08Å1.08Å
CAWH27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBBCBAOAZ102.6°103.7°
CBAOBBCBC105.3°105.5°
OBBCBAH24111.2°110.6°
OBBCBAH25111.2°110.6°
CBAOAZCAY104.5°105.5°
OAZCBAH24111.2°110.5°
OAZCBAH25111.2°110.5°
OBBCBCCAY110.1°108.6°
OBBCBCCBD129.1°131.6°
CAICAGCAF107.8°109.5°
CAICAGCAH110.4°109.5°
CAICAGCAJ111.1°109.5°
CAGCAIH8109.5°109.4°
CAGCAIH9109.4°109.5°
CAGCAIH10109.5°109.5°
OAAPABOAE113.1°109.5°
OAAPABOAC112.7°109.4°
OAAPABOAD110.7°109.5°
CAGCAFOAE109.1°109.5°
CAFCAGCAH109.0°109.5°
CAFCAGCAJ108.2°109.5°
CAGCAFH3109.6°109.4°
CAGCAFH4109.6°109.5°
CAFOAEPAB119.4°123.0°
OAECAFH3109.5°109.5°
OAECAFH4109.6°109.5°
OAZCAYCBC110.1°108.7°
OAZCAYCAX129.1°131.5°
CAYCBCCBD120.7°119.9°
CBCCAYCAX120.8°119.8°
CBCCBDCAV121.3°120.0°
CBCCBDH23119.3°120.0°
CAHCAGCAJ110.3°109.5°
CAGCAHH5109.5°109.5°
CAGCAHH6109.5°109.5°
CAGCAHH7109.5°109.5°
CAGCAJOAK109.2°109.5°
CAGCAJCAL111.7°109.4°
CAGCAJH11108.8°109.5°
OAEPABOAC107.3°109.5°
OAEPABOAD107.5°109.5°
CAYCAXCAW121.2°120.0°
CAYCAXH26119.4°120.0°
OACPABOAD105.1°109.5°
PABOACH1109.5°114.0°
PABOADH2109.5°114.0°
CBDCAVCAW117.2°120.2°
CBDCAVCAU122.0°119.9°
CAVCBDH23119.4°120.0°
OAKCAJCAL107.4°109.5°
OAKCAJH11110.6°109.5°
CAJOAKH12109.5°114.1°
CAQCAPCAO107.3°109.4°
CAPCAQNAS114.9°120.0°
CAPCAQOAR119.7°120.0°
CAQCAPH16110.0°109.5°
CAQCAPH17110.0°109.5°
CAPCAONAN109.1°109.5°
CAPCAOH14109.5°109.5°
CAPCAOH15109.6°109.5°
CAOCAPH16110.0°109.5°
CAOCAPH17110.0°109.4°
CAJCALNAN113.8°120.0°
CAJCALOAM121.1°120.0°
CALCAJH11109.2°109.5°
CAXCAWCAV118.8°120.2°
CAWCAXH26119.4°120.0°
CAXCAWH27120.6°119.9°
CAQNASCAT122.8°120.0°
NASCAQOAR125.3°120.0°
CAQNASH18118.6°120.0°
NASCATCAU104.5°109.5°
CATNASH18118.6°120.0°
NASCATH19110.7°109.5°
NASCATH20110.7°109.5°
CALNANCAO123.3°120.0°
NANCALOAM125.1°120.0°
CALNANH13118.3°120.0°
CAONANH13118.4°120.0°
NANCAOH14109.6°109.5°
NANCAOH15109.6°109.5°
CAWCAVCAU120.8°119.9°
CAVCAWH27120.6°120.0°
CAVCAUCAT107.0°109.4°
CAVCAUH21110.1°109.5°
CAVCAUH22110.1°109.5°
CAUCATH19110.7°109.5°
CAUCATH20110.7°109.4°
CATCAUH21110.1°109.5°
CATCAUH22110.1°109.5°
H3CAFH4109.5°109.5°
H5CAHH6109.5°109.5°
H5CAHH7109.5°109.4°
H6CAHH7109.4°109.5°
H8CAIH9109.5°109.5°
H8CAIH10109.5°109.4°
H9CAIH10109.5°109.5°
H14CAOH15109.5°109.5°
H16CAPH17109.5°109.5°
H19CATH20109.5°109.5°
H21CAUH22109.4°109.5°
H24CBAH25109.5°110.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBBCBAOAZH24118.9°118.6°
OBBCBAOAZH25118.9°118.6°
OBBCBAOAZCAY25.7°27.1°
CBAOBBCBCCAY16.9°17.3°
CBAOBBCBCCBD163.4°162.7°
OBBCBAH24H25123.2°122.9°
OAZCBAOBBCBC25.6°27.1°
CBAOAZCAYCBC16.7°17.2°
CBAOAZCAYCAX163.9°162.8°
OAZCBAH24H25123.2°122.8°
OBBCBCCAYOAZ0.2°0.0°
OBBCBCCAYCBD179.8°180.0°
OBBCBCCAYCAX179.7°179.9°
OBBCBCCBDCAV180.0°180.0°
OBBCBCCBDH230.0°0.0°
CBCOBBCBAH24144.5°145.7°
CBCOBBCBAH2593.3°91.4°
CAICAGCAFCAH119.8°120.0°
CAICAGCAFCAJ120.2°120.0°
CAICAGCAFOAE175.2°59.9°
CAICAGCAHCAJ123.1°120.0°
CAICAGCAJOAK67.0°54.3°
CAICAGCAJCAL51.6°174.3°
CAICAGCAFH364.9°60.1°
CAICAGCAFH455.2°180.0°
CAICAGCAHH5180.0°53.6°
CAICAGCAHH660.0°66.4°
CAICAGCAHH760.0°173.5°
CAGCAIH8H9120.0°120.0°
CAGCAIH8H10120.0°120.0°
CAGCAIH9H10120.0°120.1°
CAICAGCAJH11172.2°65.7°
OAAPABOAECAF53.9°55.0°
OAAPABOAEOAC124.9°120.0°
OAAPABOAEOAD122.5°120.0°
OAAPABOACOAD120.6°120.0°
OAAPABOACH10.0°60.0°
OAAPABOADH20.0°180.0°
CAGCAFOAEH3119.9°120.0°
CAGCAFOAEH4119.9°120.0°
CAFCAGCAHCAJ118.7°120.0°
CAGCAFOAEPAB131.6°180.0°
CAFCAGCAJOAK51.2°65.7°
CAFCAGCAJCAL169.8°54.2°
CAGCAFH3H4120.2°120.0°
CAFCAGCAHH561.8°66.4°
CAFCAGCAHH6178.2°173.6°
CAFCAGCAHH758.3°53.5°
CAFCAGCAIH8180.0°63.4°
CAFCAGCAIH960.0°176.6°
CAFCAGCAIH1060.0°56.5°
CAFCAGCAJH1169.6°174.2°
OAECAFCAGCAH65.0°60.0°
OAECAFCAGCAJ55.0°180.0°
CAFOAEPABOAC71.0°175.0°
CAFOAEPABOAD176.4°65.0°
OAECAFH3H4120.2°120.0°
OAZCAYCBCCAX179.5°180.0°
OAZCAYCBCCBD179.6°180.0°
OAZCAYCAXCAW179.4°179.9°
CAYOAZCBAH24144.5°145.7°
CAYOAZCBAH2593.2°91.5°
OAZCAYCAXH260.6°0.1°
CAYCBCCBDCAV0.2°0.0°
CBCCAYCAXCAW0.0°0.1°
CAYCBCCBDH23179.8°179.9°
CBCCAYCAXH26180.0°180.0°
CBDCBCCAYCAX0.1°0.1°
CBCCBDCAVH23180.0°179.9°
CBCCBDCAVCAW0.7°0.1°
CBCCBDCAVCAU179.5°179.8°
CAHCAGCAJOAK170.3°174.3°
CAHCAGCAJCAL71.1°65.7°
CAHCAGCAFH354.9°180.0°
CAHCAGCAFH4175.1°60.0°
CAGCAHH5H6120.0°120.0°
CAGCAHH5H7120.0°120.0°
CAGCAHH6H7120.0°120.0°
CAHCAGCAIH861.0°176.6°
CAHCAGCAIH9178.9°56.6°
CAHCAGCAIH1059.0°63.4°
CAHCAGCAJH1149.5°54.3°
CAGCAJOAKCAL121.3°119.9°
CAGCAJOAKH11119.7°120.1°
CAGCAJCALH11120.3°120.0°
CAGCAJCALNAN113.5°68.2°
CAGCAJCALOAM66.3°111.8°
CAJCAGCAFH3174.9°60.0°
CAJCAGCAFH465.0°60.0°
CAJCAGCAHH556.9°173.6°
CAJCAGCAHH663.1°53.6°
CAJCAGCAHH7176.9°66.5°
CAJCAGCAIH861.6°56.6°
CAJCAGCAIH958.4°63.4°
CAJCAGCAIH10178.4°176.6°
CAGCAJOAKH12180.0°60.0°
OAEPABOACOAD114.3°120.0°
OAEPABOACH1125.1°179.9°
OAEPABOADH2124.0°60.0°
PABOAECAFH3108.5°60.0°
PABOAECAFH411.7°60.0°
CAYCAXCAWH26180.0°179.9°
CAYCAXCAWCAV0.5°0.1°
CAYCAXCAWH27179.5°179.7°
OACPABOADH2121.9°60.0°
OADPABOACH1120.6°60.0°
CBDCAVCAWCAX0.8°0.1°
CBDCAVCAWCAU179.8°179.7°
CBDCAVCAUCAT60.3°89.7°
CBDCAVCAUH2159.3°150.3°
CBDCAVCAUH22179.9°30.3°
CBDCAVCAWH27179.2°179.7°
OAKCAJCALH11119.9°120.0°
OAKCAJCALNAN6.2°171.9°
OAKCAJCALOAM174.0°8.1°
CAQCAPCAOH16119.7°120.0°
CAQCAPCAOH17119.7°120.0°
CAPCAQNASOAR177.8°180.0°
CAPCAQNASCAT177.4°180.0°
CAQCAPCAONAN157.4°180.0°
CAQCAPCAOH1482.6°60.0°
CAQCAPCAOH1537.5°60.0°
CAQCAPH16H17121.0°120.1°
CAPCAQNASH182.5°0.0°
CAOCAPCAQNAS105.1°180.0°
CAPCAONANCAL82.4°180.0°
CAPCAONANH14119.9°120.0°
CAPCAONANH15119.9°120.0°
CAOCAPCAQOAR72.8°0.0°
CAPCAONANH1397.6°0.1°
CAPCAOH14H15120.2°120.0°
CAOCAPH16H17121.0°120.0°
CAJCALNANOAM179.8°180.0°
CAJCALNANCAO179.7°175.6°
CALCAJOAKH1258.7°60.0°
CAJCALNANH130.3°4.4°
CAXCAWCAVH27180.0°179.8°
CAXCAWCAVCAU179.4°179.8°
CAQNASCATH18180.0°180.0°
CAQNASCATCAU141.1°180.0°
NASCAQCAPH16135.2°60.0°
NASCAQCAPH1714.5°60.0°
CAQNASCATH1999.7°60.0°
CAQNASCATH2021.9°60.0°
CATNASCAQOAR0.4°0.0°
NASCATCAUCAV108.8°180.0°
NASCATCAUH19119.2°120.0°
NASCATCAUH20119.2°120.0°
NASCATH19H20122.3°120.0°
NASCATCAUH2110.9°60.0°
NASCATCAUH22131.6°60.0°
CALNANCAOH13180.0°179.9°
NANCALCAJH11126.1°51.9°
CALNANCAOH14157.7°60.0°
CALNANCAOH1537.6°60.0°
CAONANCALOAM0.5°4.4°
NANCAOH14H15120.2°120.0°
NANCAOCAPH1637.8°60.0°
NANCAOCAPH1782.9°60.0°
OAMCALCAJH1154.1°128.1°
OAMCALNANH13179.5°175.5°
OARCAQCAPH1646.8°120.0°
OARCAQCAPH17167.5°119.9°
OARCAQNASH18179.6°180.0°
CAWCAVCAUCAT119.9°90.0°
CAWCAVCAUH21120.5°30.0°
CAWCAVCAUH220.3°150.0°
CAWCAVCBDH23179.3°180.0°
CAVCAWCAXH26179.5°180.0°
CAVCAUCATH21119.6°119.9°
CAVCAUCATH22119.6°120.0°
CAVCAUCATH1910.4°60.0°
CAVCAUCATH20132.0°60.0°
CAVCAUH21H22121.1°120.1°
CAUCAVCBDH230.5°0.3°
CAUCAVCAWH270.6°0.0°
CAUCATNASH1838.9°0.0°
CAUCATH19H20122.3°120.0°
CATCAUH21H22121.1°120.0°
H5CAHH6H7120.0°120.0°
H8CAIH9H10120.0°119.9°
H11CAJOAKH1260.3°180.0°
H13NANCAOH1422.3°119.9°
H13NANCAOH15142.5°120.0°
H14CAOCAPH16157.7°180.0°
H14CAOCAPH1737.0°60.0°
H15CAOCAPH1682.2°60.0°
H15CAOCAPH17157.2°180.0°
H18NASCATH1980.3°120.0°
H18NASCATH20158.1°120.0°
H19CATCAUH21130.1°180.0°
H19CATCAUH22109.2°60.0°
H20CATCAUH21108.3°60.0°
H20CATCAUH2212.4°180.0°
H26CAXCAWH270.5°0.2°

227344

PDB entries from 2024-11-13

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