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1A9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBECARsing1.53Å1.50Å
CBECAQsing1.53Å1.50Å
CBECAPsing1.53Å1.50Å
CARCAOsing1.53Å1.49Å
CAQCANsing1.53Å1.50Å
OAACAXdoub1.21Å1.23Å
CALCANsing1.53Å1.50Å
CALCAMsing1.53Å1.50Å
SAWCAHsing1.77Å1.70Å
SAWCBDsing1.77Å1.67Å
CAMCAPsing1.53Å1.49Å
CAHCBBdoub1.34Å1.44Å
CAOCAXsing1.51Å1.49Å
CAXNASsing1.35Å1.42Å
CBDOABdoub1.22Å1.23Å
CBDNAUsing1.34Å1.34Å
CBBNAUsing1.37Å1.39Å
CBBCBAsing1.48Å1.48Å
CAJCBAdoub1.39Å1.39ÅAromatic
CAJCAYsing1.39Å1.39ÅAromatic
NASCAYsing1.40Å1.43Å
CBACAKsing1.40Å1.39ÅAromatic
CAYCAIdoub1.39Å1.38ÅAromatic
CAKCAZdoub1.39Å1.39ÅAromatic
CAICAZsing1.39Å1.38ÅAromatic
CAZNATsing1.40Å1.43Å
NATSBFsing1.66Å1.65Å
SAVCBCsing1.76Å1.63ÅAromatic
SAVCAFsing1.76Å1.63ÅAromatic
OADSBFdoub1.42Å1.47Å
SBFCBCsing1.76Å1.77Å
SBFOACdoub1.42Å1.45Å
CBCCAGdoub1.33Å1.45ÅAromatic
CAFCAEdoub1.33Å1.42ÅAromatic
CAGCAEsing1.38Å1.50ÅAromatic
CAPH1sing1.09Å1.10Å
CAPH2sing1.09Å1.10Å
CAMH3sing1.09Å1.10Å
CAMH4sing1.09Å1.10Å
CALH5sing1.09Å1.10Å
CALH6sing1.09Å1.10Å
CANH7sing1.09Å1.10Å
CAQH8sing1.09Å1.10Å
CBEH9sing1.09Å1.10Å
CARH10sing1.09Å1.10Å
CARH11sing1.09Å1.10Å
CAOH12sing1.09Å1.10Å
CAOH13sing1.09Å1.10Å
NASH14sing0.97Å1.00Å
CAIH15sing1.08Å1.08Å
CAJH16sing1.08Å1.08Å
CAHH17sing1.08Å1.08Å
CAKH18sing1.08Å1.08Å
NATH19sing0.97Å1.00Å
CAFH20sing1.08Å1.08Å
CAEH21sing1.08Å1.08Å
CAGH22sing1.08Å1.08Å
CANH23sing1.09Å1.10Å
CAQH24sing1.09Å1.10Å
NAUH25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CARCBECAQ111.2°109.5°
CARCBECAP112.0°109.5°
CBECARCAO112.1°109.5°
CARCBEH9107.6°109.4°
CBECARH10108.8°109.5°
CBECARH11108.8°109.5°
CAQCBECAP110.6°109.5°
CBECAQCAN115.2°109.4°
CBECAQH8108.0°109.5°
CAQCBEH9107.7°109.5°
CBECAQH24108.0°109.4°
CBECAPCAM113.0°109.5°
CBECAPH1108.6°109.4°
CBECAPH2108.6°109.5°
CAPCBEH9107.6°109.5°
CARCAOCAX112.3°109.5°
CAOCARH10108.8°109.5°
CAOCARH11108.8°109.5°
CARCAOH12108.8°109.4°
CARCAOH13108.7°109.5°
CAQCANCAL117.4°109.5°
CAQCANH7107.5°109.5°
CANCAQH8108.0°109.5°
CAQCANH23107.5°109.5°
CANCAQH24108.0°109.5°
OAACAXCAO122.4°120.0°
OAACAXNAS121.8°120.0°
CANCALCAM117.1°109.5°
CANCALH5107.5°109.5°
CANCALH6107.6°109.5°
CALCANH7107.5°109.5°
CALCANH23107.5°109.4°
CALCAMCAP113.4°109.5°
CALCAMH3108.5°109.5°
CALCAMH4108.5°109.5°
CAMCALH5107.6°109.5°
CAMCALH6107.5°109.4°
CAHSAWCBD96.5°94.5°
SAWCAHCBB108.1°105.4°
SAWCAHH17125.9°127.3°
SAWCBDOAB128.5°127.4°
SAWCBDNAU107.7°105.2°
CAMCAPH1108.6°109.5°
CAMCAPH2108.5°109.5°
CAPCAMH3108.5°109.4°
CAPCAMH4108.5°109.5°
CAHCBBNAU108.4°117.5°
CAHCBBCBA126.1°121.3°
CBBCAHH17125.9°127.3°
CAOCAXNAS115.8°120.0°
CAXCAOH12108.8°109.5°
CAXCAOH13108.8°109.5°
CAXNASCAY127.4°120.0°
CAXNASH14116.3°120.0°
OABCBDNAU123.8°127.4°
CBDNAUCBB119.2°117.4°
CBDNAUH25120.4°121.3°
NAUCBBCBA125.5°121.2°
CBBNAUH25120.4°121.3°
CBBCBACAJ119.7°120.1°
CBBCBACAK119.1°120.0°
CBACAJCAY118.6°120.0°
CAJCBACAK121.1°119.9°
CBACAJH16120.7°120.0°
CAJCAYNAS124.8°120.0°
CAJCAYCAI120.4°120.1°
CAYCAJH16120.7°120.0°
NASCAYCAI114.9°120.0°
CAYNASH14116.3°120.0°
CBACAKCAZ119.6°119.9°
CBACAKH18120.2°120.1°
CAYCAICAZ120.8°120.2°
CAYCAIH15119.6°119.9°
CAKCAZCAI119.5°120.1°
CAKCAZNAT122.1°119.9°
CAZCAKH18120.2°120.1°
CAICAZNAT118.4°120.0°
CAZCAIH15119.6°119.9°
CAZNATSBF117.8°120.0°
CAZNATH19107.3°120.0°
NATSBFOAD107.1°106.4°
NATSBFCBC113.2°107.2°
NATSBFOAC112.1°106.4°
SBFNATH19107.4°120.0°
CBCSAVCAF99.6°91.0°
SAVCBCSBF123.0°125.2°
SAVCBCCAG110.0°109.6°
SAVCAFCAE109.8°109.6°
SAVCAFH20125.1°125.2°
OADSBFCBC107.3°106.4°
OADSBFOAC110.0°123.2°
CBCSBFOAC107.1°106.4°
SBFCBCCAG127.0°125.2°
CBCCAGCAE109.3°114.9°
CBCCAGH22125.3°122.6°
CAFCAECAG111.4°114.9°
CAECAFH20125.1°125.2°
CAFCAEH21124.3°122.5°
CAGCAEH21124.3°122.6°
CAECAGH22125.3°122.5°
H1CAPH2109.5°109.5°
H3CAMH4109.5°109.5°
H5CALH6109.5°109.5°
H7CANH23109.5°109.4°
H8CAQH24109.5°109.5°
H10CARH11109.5°109.4°
H12CAOH13109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CARCBECAQCAP125.0°120.0°
CARCBECAQH9117.6°120.0°
CARCBECAPH9118.0°120.0°
CBECARCAOH10120.4°120.0°
CBECARCAOH11120.4°120.0°
CARCBECAQCAN159.1°180.0°
CARCBECAPCAM172.2°NaN°
CBECARCAOCAX171.9°180.0°
CARCBECAPH151.6°60.0°
CARCBECAPH267.3°60.0°
CARCBECAQH838.2°60.0°
CBECARH10H11118.8°120.0°
CBECARCAOH1267.6°60.0°
CBECARCAOH1351.5°59.9°
CARCBECAQH2480.1°60.0°
CAQCBECAPH9117.4°120.0°
CAQCBECARCAO38.7°175.0°
CBECAQCANH8120.9°120.0°
CBECAQCANH24120.8°120.0°
CBECAQCANCAL13.5°60.0°
CAQCBECAPCAM63.2°60.0°
CAQCBECAPH1176.2°60.0°
CAQCBECAPH257.3°180.0°
CBECAQCANH7107.7°60.0°
CBECAQH8H24117.3°119.9°
CAQCBECARH10159.0°55.0°
CAQCBECARH1181.7°65.0°
CBECAQCANH23134.6°180.0°
CAPCBECARCAO85.6°65.0°
CAPCBECAQCAN34.0°60.0°
CBECAPCAMCAL40.9°60.0°
CBECAPCAMH1120.5°120.0°
CBECAPCAMH2120.5°120.0°
CBECAPH1H2118.4°120.0°
CBECAPCAMH3161.5°60.0°
CBECAPCAMH479.7°180.0°
CAPCBECAQH886.8°180.0°
CAPCBECARH1034.8°175.0°
CAPCBECARH11154.0°55.0°
CAPCBECAQH24154.9°60.0°
CARCAOCAXOAA4.1°0.0°
CARCAOCAXH12120.5°119.9°
CARCAOCAXH13120.4°120.1°
CARCAOCAXNAS175.9°180.0°
CAOCARCBEH9156.4°55.0°
CAOCARH10H11118.8°120.0°
CARCAOH12H13118.7°120.0°
CAQCANCALH7121.1°120.1°
CAQCANCALH23121.1°120.0°
CAQCANCALCAM36.1°60.0°
CAQCANCALH5157.2°180.0°
CAQCANCALH685.0°59.9°
CAQCANH7H23116.4°120.0°
CANCAQH8H24117.4°120.1°
CANCAQCBEH983.3°60.0°
OAACAXCAONAS180.0°180.0°
OAACAXNASCAY0.4°5.3°
OAACAXCAOH12116.4°120.0°
OAACAXCAOH13124.5°120.0°
OAACAXNASH14179.6°174.7°
CANCALCAMH5121.1°120.0°
CANCALCAMH6121.1°120.0°
CANCALCAMCAP8.0°60.0°
CANCALCAMH3112.6°60.0°
CANCALCAMH4128.6°180.0°
CANCALH5H6116.6°120.0°
CALCANH7H23116.4°120.0°
CALCANCAQH8134.3°180.0°
CALCANCAQH24107.4°59.9°
CALCAMCAPH3120.6°120.0°
CALCAMCAPH4120.6°120.0°
CALCAMCAPH1161.4°60.0°
CALCAMCAPH279.7°180.0°
CALCAMH3H4118.2°120.1°
CAMCALH5H6116.5°120.0°
CAMCALCANH785.1°60.1°
CAMCALCANH23157.2°180.0°
SAWCAHCBBH17180.0°179.9°
CAHSAWCBDOAB179.7°180.0°
CAHSAWCBDNAU0.8°0.0°
SAWCAHCBBNAU0.3°0.1°
SAWCAHCBBCBA179.5°179.7°
CBDSAWCAHCBB0.6°0.0°
SAWCBDOABNAU179.5°180.0°
SAWCBDNAUCBB0.7°0.0°
CBDSAWCAHH17179.4°179.9°
SAWCBDNAUH25179.3°179.7°
CAMCAPH1H2118.3°120.0°
CAPCAMH3H4118.2°120.0°
CAPCAMCALH5129.1°180.0°
CAPCAMCALH6113.1°60.0°
CAMCAPCBEH954.1°60.0°
CAHCBBNAUCBD0.3°0.1°
CAHCBBNAUCBA179.2°179.6°
CAHCBBCBACAJ3.2°179.7°
CAHCBBCBACAK175.2°0.4°
CAHCBBNAUH25179.7°179.7°
CAOCAXNASCAY179.6°174.7°
CAXCAOCARH1051.5°60.0°
CAXCAOCARH1167.7°60.0°
CAXCAOH12H13118.7°120.1°
CAOCAXNASH140.4°5.3°
CAXNASCAYCAJ3.1°33.6°
CAXNASCAYH14180.0°180.0°
CAXNASCAYCAI177.6°146.7°
NASCAXCAOH1263.7°60.0°
NASCAXCAOH1355.5°60.0°
OABCBDNAUCBB179.7°179.9°
OABCBDNAUH250.4°0.3°
CBDNAUCBBH25180.0°179.8°
CBDNAUCBBCBA178.9°179.7°
NAUCBBCBACAJ177.8°0.1°
NAUCBBCBACAK3.8°180.0°
NAUCBBCAHH17179.7°180.0°
CBBCBACAJCAK178.4°179.9°
CBBCBACAJCAY179.8°179.9°
CBBCBACAKCAZ179.6°179.8°
CBBCBACAJH160.2°0.1°
CBACBBCAHH170.5°0.4°
CBBCBACAKH180.4°0.1°
CBACBBNAUH251.1°0.1°
CBACAJCAYH16180.0°180.0°
CBACAJCAYNAS179.8°180.0°
CBACAJCAYCAI1.0°0.3°
CAJCBACAKCAZ1.2°0.2°
CAJCBACAKH18178.8°180.0°
CAJCAYNASCAI179.2°179.7°
CAYCAJCBACAK1.5°0.0°
CAJCAYCAICAZ0.4°0.3°
CAJCAYNASH14176.9°146.4°
CAJCAYCAIH15179.6°179.8°
NASCAYCAICAZ179.7°180.0°
NASCAYCAIH150.3°0.1°
NASCAYCAJH160.2°0.0°
CBACAKCAZH18180.0°179.8°
CBACAKCAZCAI0.6°0.2°
CBACAKCAZNAT178.7°179.8°
CAKCBACAJH16178.6°179.9°
CAYCAICAZCAK0.1°0.1°
CAYCAICAZH15180.0°179.9°
CAYCAICAZNAT178.4°180.0°
CAICAYNASH142.4°33.3°
CAICAYCAJH16179.0°179.7°
CAKCAZCAINAT178.3°180.0°
CAKCAZNATSBF114.5°135.0°
CAKCAZCAIH15179.8°180.0°
CAKCAZNATH196.7°45.0°
CAICAZNATSBF63.7°45.0°
CAICAZCAKH18179.4°180.0°
CAICAZNATH19175.1°135.1°
CAZNATSBFH19121.2°179.9°
CAZNATSBFOAD71.8°48.5°
CAZNATSBFCBC46.2°65.0°
CAZNATSBFOAC167.5°178.5°
NATCAZCAIH151.6°0.1°
NATCAZCAKH181.3°0.0°
NATSBFCBCSAV64.5°89.7°
NATSBFOADCBC121.8°114.1°
NATSBFOADOAC122.0°122.9°
NATSBFCBCOAC124.0°113.5°
NATSBFCBCCAG117.4°90.0°
SAVCBCSBFOAD53.4°23.8°
SAVCBCSBFCAG178.0°179.7°
SAVCBCSBFOAC171.4°156.8°
CBCSAVCAFCAE0.0°0.0°
SAVCBCCAGCAE0.6°0.4°
CBCSAVCAFH20179.9°180.0°
SAVCBCCAGH22179.4°179.7°
CAFSAVCBCSBF178.7°180.0°
CAFSAVCBCCAG0.4°0.2°
SAVCAFCAEH20180.0°180.0°
SAVCAFCAECAG0.4°0.2°
SAVCAFCAEH21179.6°180.0°
OADSBFCBCOAC118.1°133.0°
OADSBFCBCCAG124.7°156.5°
OADSBFNATH19167.0°131.5°
SBFCBCCAGCAE178.9°179.9°
CBCSBFNATH1974.9°114.9°
SBFCBCCAGH221.1°0.0°
OACSBFCBCCAG6.6°23.5°
OACSBFNATH1946.3°1.4°
CBCCAGCAECAF0.7°0.4°
CBCCAGCAEH22180.0°179.9°
CBCCAGCAEH21179.3°179.8°
CAFCAECAGH21180.0°179.7°
CAFCAECAGH22179.4°179.7°
CAGCAECAFH20179.6°179.8°
H1CAPCAMH378.0°180.0°
H1CAPCAMH440.8°60.0°
H1CAPCBEH966.4°180.0°
H2CAPCAMH340.9°60.0°
H2CAPCAMH4159.7°60.0°
H2CAPCBEH9174.7°60.0°
H3CAMCALH58.5°60.0°
H3CAMCALH6126.3°180.0°
H4CAMCALH5110.3°60.0°
H4CAMCALH67.5°60.0°
H5CALCANH736.0°59.9°
H5CALCANH2381.7°60.0°
H6CALCANH7153.8°180.0°
H6CALCANH2336.1°60.1°
H7CANCAQH813.2°60.0°
H7CANCAQH24131.5°180.0°
H8CAQCBEH9155.9°60.0°
H8CAQCANH23104.5°60.0°
H9CBECARH1083.3°65.0°
H9CBECARH1136.0°175.0°
H9CBECAQH2437.6°180.0°
H10CARCAOH12172.0°180.0°
H10CARCAOH1368.9°60.1°
H11CARCAOH1252.7°60.0°
H11CARCAOH13171.8°179.9°
H20CAFCAEH210.4°0.0°
H21CAECAGH220.6°0.0°
H23CANCAQH2413.8°60.0°

224931

PDB entries from 2024-09-11

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