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563

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CACNBEsing1.47Å1.49Å
CALNBEsing1.47Å1.50Å
CALCANsing1.53Å1.43Å
NBECAMsing1.47Å1.45Å
CANNBFsing1.47Å1.51Å
CAHCAFdoub1.38Å1.40ÅAromatic
CAHCAZsing1.39Å1.40ÅAromatic
CAFCAYsing1.39Å1.40ÅAromatic
NBFC4sing1.39Å1.38Å
NBFCAOsing1.47Å1.49Å
CAMCAOsing1.53Å1.52Å
N3C4doub1.33Å1.35ÅAromatic
N3C2sing1.32Å1.34ÅAromatic
OAVCAZsing1.36Å1.37Å
OAVC2sing1.35Å1.37Å
C4C5sing1.39Å1.42ÅAromatic
CAZCAIdoub1.39Å1.39ÅAromatic
C2N1doub1.32Å1.35ÅAromatic
CAYNASsing1.40Å1.35Å
CAYCAGdoub1.39Å1.39ÅAromatic
C5C6doub1.39Å1.41ÅAromatic
NASCAWsing1.35Å1.36Å
N1C6sing1.33Å1.36ÅAromatic
C6NATsing1.39Å1.39Å
CAICAGsing1.38Å1.40ÅAromatic
CAWOADdoub1.22Å1.23Å
CAWCAEsing1.47Å1.56Å
CAECAAdoub1.33Å1.55Å
NATCBAsing1.40Å1.37Å
CBACAJsing1.40Å1.33ÅAromatic
CBANAPdoub1.31Å1.35ÅAromatic
CAJCAXdoub1.35Å1.34ÅAromatic
NAPNAUsing1.40Å1.23ÅAromatic
CAXNAUsing1.35Å1.30ÅAromatic
CAXCABsing1.51Å1.54Å
C5H1sing1.08Å1.08Å
CANH2sing1.09Å1.10Å
CANH3sing1.09Å1.10Å
CALH4sing1.09Å1.10Å
CALH5sing1.09Å1.10Å
CACH7sing1.09Å1.10Å
CACH8sing1.09Å1.10Å
CACH9sing1.09Å1.10Å
CAMH10sing1.09Å1.10Å
CAMH11sing1.09Å1.10Å
CAOH12sing1.09Å1.10Å
CAOH13sing1.09Å1.10Å
NATH14sing0.97Å1.00Å
CAJH15sing1.08Å1.08Å
CABH16sing1.09Å1.10Å
CABH17sing1.09Å1.10Å
CABH18sing1.09Å1.10Å
NAUH19sing0.97Å1.00Å
CAIH20sing1.08Å1.08Å
CAGH21sing1.08Å1.08Å
CAHH22sing1.08Å1.08Å
CAFH23sing1.08Å1.08Å
NASH24sing0.97Å1.00Å
CAEH25sing1.08Å1.08Å
CAAH27sing1.08Å1.08Å
CAAH28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CACNBECAL112.5°111.0°
CACNBECAM107.1°111.0°
NBECACH7109.5°109.5°
NBECACH8109.5°109.5°
NBECACH9109.5°109.5°
NBECALCAN114.5°109.4°
CALNBECAM110.2°110.9°
NBECALH4108.2°109.5°
NBECALH5108.2°109.4°
CALCANNBF116.4°109.3°
CALCANH2107.7°109.5°
CALCANH3107.7°109.4°
CANCALH4108.2°109.5°
CANCALH5108.2°109.5°
NBECAMCAO106.7°109.4°
NBECAMH10110.2°109.5°
NBECAMH11110.2°109.5°
CANNBFC4120.6°111.0°
CANNBFCAO120.8°110.9°
NBFCANH2107.7°109.6°
NBFCANH3107.7°109.5°
CAFCAHCAZ121.4°120.1°
CAHCAFCAY120.2°119.9°
CAFCAHH22119.3°120.0°
CAHCAFH23119.9°120.0°
CAHCAZOAV118.5°120.0°
CAHCAZCAI118.2°120.0°
CAZCAHH22119.3°119.9°
CAFCAYNAS120.1°120.0°
CAFCAYCAG118.1°120.0°
CAYCAFH23119.9°120.0°
C4NBFCAO118.5°111.0°
NBFC4N3118.6°120.4°
NBFC4C5124.5°120.5°
NBFCAOCAM113.7°109.3°
NBFCAOH12108.4°109.5°
NBFCAOH13108.4°109.5°
CAOCAMH10110.1°109.5°
CAOCAMH11110.2°109.5°
CAMCAOH12108.4°109.5°
CAMCAOH13108.4°109.5°
C4N3C2122.3°120.8°
N3C4C5116.9°119.1°
N3C2OAV114.5°119.1°
N3C2N1120.6°121.8°
CAZOAVC2128.2°118.0°
OAVCAZCAI123.2°120.0°
OAVC2N1124.9°119.1°
C4C5C6121.3°118.4°
C4C5H1119.4°120.8°
CAZCAICAG120.6°120.0°
CAZCAIH20119.7°120.0°
C2N1C6122.7°120.8°
NASCAYCAG121.7°120.0°
CAYNASCAW125.2°120.0°
CAYNASH24117.4°120.1°
CAYCAGCAI121.5°120.0°
CAYCAGH21119.3°120.0°
C5C6N1116.2°119.1°
C5C6NAT118.4°120.5°
C6C5H1119.3°120.8°
NASCAWOAD119.9°119.9°
NASCAWCAE120.2°120.0°
CAWNASH24117.4°119.9°
N1C6NAT125.4°120.4°
C6NATCBA126.3°120.0°
C6NATH14116.9°120.0°
CAGCAIH20119.7°120.0°
CAICAGH21119.2°120.0°
OADCAWCAE119.9°120.0°
CAWCAECAA120.8°120.0°
CAWCAEH25119.6°120.0°
CAACAEH25119.6°120.0°
CAECAAH27120.0°120.0°
CAECAAH28120.0°120.0°
NATCBACAJ130.2°125.9°
NATCBANAP125.2°126.0°
CBANATH14116.9°120.0°
CAJCBANAP104.6°108.0°
CBACAJCAX106.1°107.8°
CBACAJH15126.9°126.1°
CBANAPNAU112.5°108.2°
CAJCAXNAU109.5°107.9°
CAJCAXCAB126.7°126.1°
CAXCAJH15127.0°126.1°
NAPNAUCAX107.2°108.0°
NAPNAUH19126.4°126.0°
NAUCAXCAB123.8°126.1°
CAXNAUH19126.4°126.0°
CAXCABH16109.5°109.5°
CAXCABH17109.5°109.5°
CAXCABH18109.4°109.5°
H2CANH3109.4°109.5°
H4CALH5109.5°109.5°
H7CACH8109.5°109.4°
H7CACH9109.4°109.5°
H8CACH9109.4°109.5°
H10CAMH11109.5°109.5°
H12CAOH13109.5°109.5°
H16CABH17109.5°109.5°
H16CABH18109.5°109.4°
H17CABH18109.4°109.4°
H27CAAH28120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CACNBECALCAM119.5°123.8°
CACNBECALCAN176.0°64.5°
CACNBECAMCAO166.4°64.6°
CACNBECALH455.2°175.5°
CACNBECALH563.3°55.4°
NBECACH7H8120.1°120.0°
NBECACH7H9120.0°120.0°
NBECACH8H9120.0°120.0°
CACNBECAMH1046.8°175.5°
CACNBECAMH1174.1°55.4°
NBECALCANH4120.7°120.0°
NBECALCANH5120.7°119.9°
NBECALCANNBF14.5°58.5°
CALNBECAMCAO70.9°59.3°
NBECALCANH2135.5°61.6°
NBECALCANH3106.5°178.4°
NBECALH4H5117.7°120.0°
CALNBECACH7180.0°60.0°
CALNBECACH860.0°180.0°
CALNBECACH960.0°60.0°
CALNBECAMH10169.6°60.6°
CALNBECAMH1148.7°179.3°
CANCALNBECAM56.5°59.3°
CALCANNBFH2121.0°120.0°
CALCANNBFH3121.0°119.9°
CALCANNBFC4176.1°176.8°
CALCANNBFCAO9.2°59.4°
CALCANH2H3116.9°120.0°
CANCALH4H5117.7°120.1°
NBECAMCAONBF45.2°58.4°
NBECAMCAOH10119.6°120.0°
NBECAMCAOH11119.6°120.0°
CAMNBECALH464.3°60.7°
CAMNBECALH5177.2°179.3°
CAMNBECACH758.7°63.8°
CAMNBECACH8178.7°56.2°
CAMNBECACH961.3°176.2°
NBECAMH10H11121.3°120.1°
NBECAMCAOH12165.8°178.4°
NBECAMCAOH1375.4°61.6°
CANNBFC4CAO174.9°123.8°
CANNBFCAOCAM6.7°59.4°
CANNBFC4N314.2°0.3°
CANNBFC4C5167.1°180.0°
NBFCANH2H3116.9°120.1°
NBFCANCALH4106.2°61.5°
NBFCANCALH5135.3°178.3°
CANNBFCAOH12127.3°179.3°
CANNBFCAOH13113.9°60.6°
CAFCAHCAZH22180.0°180.0°
CAHCAFCAYH23180.0°179.9°
CAFCAHCAZOAV178.5°180.0°
CAFCAHCAZCAI1.5°0.3°
CAHCAFCAYNAS178.2°180.0°
CAHCAFCAYCAG0.8°0.4°
CAZCAHCAFCAY1.0°0.1°
CAHCAZOAVCAI176.9°179.6°
CAHCAZOAVC2134.5°111.5°
CAHCAZCAICAG1.8°0.4°
CAHCAZCAIH20178.2°179.7°
CAZCAHCAFH23179.0°180.0°
CAFCAYNASCAG177.3°179.6°
CAFCAYNASCAW102.9°143.8°
CAFCAYCAGCAI1.1°0.3°
CAFCAYCAGH21178.8°179.7°
CAYCAFCAHH22179.0°180.0°
CAFCAYNASH2477.1°36.2°
C4NBFCAOCAM168.2°176.8°
NBFC4N3C5178.8°179.7°
NBFC4N3C2180.0°179.7°
NBFC4C5C6178.9°179.7°
NBFC4C5H11.1°0.3°
C4NBFCANH262.9°63.2°
C4NBFCANH355.0°56.9°
C4NBFCAOH1247.5°56.8°
C4NBFCAOH1371.2°63.3°
NBFCAOCAMH12120.6°120.0°
NBFCAOCAMH13120.6°120.0°
CAONBFC4N3160.7°123.5°
CAONBFC4C518.1°56.2°
CAONBFCANH2111.8°60.6°
CAONBFCANH3130.2°179.3°
NBFCAOCAMH10164.8°61.6°
NBFCAOCAMH1174.4°178.4°
NBFCAOH12H13118.1°120.1°
CAOCAMH10H11121.3°120.0°
CAMCAOH12H13118.0°120.0°
C4N3C2OAV179.8°180.0°
C4N3C2N11.4°0.0°
N3C4C5C60.2°0.0°
N3C4C5H1179.8°180.0°
N3C2OAVCAZ175.4°175.1°
N3C2OAVN1178.4°180.0°
C2N3C4C51.2°0.0°
N3C2N1C60.4°0.0°
CAZOAVC2N16.2°4.9°
OAVCAZCAICAG178.7°180.0°
OAVCAZCAIH201.3°0.1°
OAVCAZCAHH221.5°0.0°
C2OAVCAZCAI48.7°68.8°
OAVC2N1C6178.7°180.0°
C4C5C6H1180.0°180.0°
C4C5C6N10.7°0.0°
C4C5C6NAT180.0°180.0°
CAZCAICAGCAY1.7°0.1°
CAZCAICAGH20180.0°179.9°
CAZCAICAGH21178.3°180.0°
CAICAZCAHH22178.6°179.6°
C2N1C6C50.6°0.0°
C2N1C6NAT179.8°180.0°
CAYNASCAWH24180.0°180.0°
NASCAYCAGCAI178.5°179.9°
CAYNASCAWOAD178.2°4.6°
CAYNASCAWCAE1.7°175.4°
NASCAYCAGH211.5°0.0°
NASCAYCAFH231.8°0.1°
CAGCAYNASCAW79.9°36.6°
CAYCAGCAIH21180.0°180.0°
CAYCAGCAIH20178.3°180.0°
CAGCAYCAFH23179.2°179.7°
CAGCAYNASH24100.1°143.4°
C5C6N1NAT179.2°180.0°
C5C6NATCBA177.0°7.2°
C5C6NATH143.0°172.9°
NASCAWOADCAE179.9°180.0°
NASCAWCAECAA179.2°180.0°
NASCAWCAEH250.8°0.0°
N1C6NATCBA3.8°172.8°
N1C6C5H1179.3°180.0°
N1C6NATH14176.2°7.1°
C6NATCBAH14180.0°179.9°
C6NATCBACAJ15.2°175.4°
C6NATCBANAP166.0°4.3°
NATC6C5H10.0°0.0°
OADCAWCAECAA0.9°0.0°
OADCAWNASH241.8°175.4°
OADCAWCAEH25179.1°180.0°
CAWCAECAAH25180.0°180.0°
CAECAWNASH24178.3°4.6°
CAWCAECAAH27180.0°179.9°
CAWCAECAAH280.0°0.1°
CAECAAH27H28180.0°179.9°
NATCBACAJNAP178.9°179.8°
NATCBACAJCAX179.1°180.0°
NATCBANAPNAU179.5°179.9°
NATCBACAJH150.9°0.0°
CBACAJCAXH15180.0°180.0°
CAJCBANAPNAU0.5°0.3°
CBACAJCAXNAU0.1°0.0°
CBACAJCAXCAB179.9°180.0°
CAJCBANATH14164.8°4.5°
NAPCBACAJCAX0.2°0.2°
CBANAPNAUCAX0.6°0.3°
NAPCBANATH1414.0°175.7°
NAPCBACAJH15179.8°179.8°
CBANAPNAUH19179.4°179.8°
CAJCAXNAUNAP0.4°0.2°
CAJCAXNAUCAB179.8°180.0°
CAJCAXCABH1689.9°90.0°
CAJCAXCABH17150.1°150.0°
CAJCAXCABH1830.1°30.0°
CAJCAXNAUH19179.5°180.0°
NAPNAUCAXH19180.0°179.8°
NAPNAUCAXCAB179.7°179.8°
NAUCAXCAJH15179.9°180.0°
NAUCAXCABH1689.9°90.0°
NAUCAXCABH1730.1°30.0°
NAUCAXCABH18150.1°150.0°
CABCAXCAJH150.1°0.0°
CAXCABH16H17120.0°120.1°
CAXCABH16H18120.0°120.0°
CAXCABH17H18120.0°120.0°
CABCAXNAUH190.3°0.0°
H2CANCALH414.8°178.4°
H2CANCALH5103.7°58.3°
H3CANCALH4132.8°58.4°
H3CANCALH514.2°61.7°
H7CACH8H9120.0°120.0°
H10CAMCAOH1274.6°58.4°
H10CAMCAOH1344.1°178.4°
H11CAMCAOH1246.3°61.6°
H11CAMCAOH13165.0°58.4°
H16CABH17H18120.0°119.9°
H20CAICAGH211.7°0.1°
H22CAHCAFH231.0°0.1°
H25CAECAAH270.0°0.1°
H25CAECAAH28180.0°180.0°

224931

PDB entries from 2024-09-11

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