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S48

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABNBJsing1.44Å1.50Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
NBJCARsing1.37Å1.32ÅAromatic
NBJCAPsing1.37Å1.34ÅAromatic
CARCBEdoub1.34Å1.33ÅAromatic
CARHARsing1.08Å1.08Å
CAPNAXdoub1.31Å1.35ÅAromatic
CAPHAPsing1.08Å1.08Å
NAXCBEsing1.34Å1.33ÅAromatic
CBESBLsing1.77Å1.72Å
SBLOAFdoub1.45Å1.51Å
SBLOAEdoub1.45Å1.51Å
SBLNsing1.72Å1.64Å
NCAsing1.48Å1.48Å
NCBGsing1.48Å1.47Å
CACsing1.51Å1.54Å
CAHA1sing1.09Å1.10Å
CAHA2sing1.09Å1.10Å
COdoub1.23Å1.24Å
COAYsing1.36Å1.35Å
OAYCAAsing1.43Å1.43Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CBGCASsing1.52Å1.55Å
CBGCAVsing1.52Å1.52Å
CBGHBGsing1.10Å1.10Å
CAVNBHsing1.46Å1.47Å
CAVHAV1sing1.10Å1.10Å
CAVHAV2sing1.10Å1.10Å
CASCBCsing1.51Å1.53Å
CASHAS1sing1.10Å1.10Å
CASHAS2sing1.10Å1.10Å
CBCCAQdoub1.41Å1.40ÅAromatic
CBCCBFsing1.42Å1.39ÅAromatic
CAQCBBsing1.39Å1.41ÅAromatic
CAQHAQsing1.09Å1.08Å
CBBCBAsing1.45Å1.42ÅAromatic
CBBCALdoub1.39Å1.40ÅAromatic
CBACAJdoub1.40Å1.40ÅAromatic
CBACAKsing1.39Å1.41ÅAromatic
CAJCAHsing1.39Å1.41ÅAromatic
CAJHAJsing1.09Å1.08Å
CAHCAGdoub1.39Å1.40ÅAromatic
CAHHAHsing1.09Å1.08Å
CAGCAIsing1.39Å1.39ÅAromatic
CAGHAGsing1.09Å1.08Å
CAICAKdoub1.39Å1.40ÅAromatic
CAIHAIsing1.09Å1.08Å
CAKHAKsing1.09Å1.08Å
CALCAMsing1.40Å1.40ÅAromatic
CALHALsing1.09Å1.08Å
CAMCBFdoub1.41Å1.41ÅAromatic
CAMHAMsing1.09Å1.08Å
CBFNBHsing1.40Å1.43Å
NBHCAUsing1.46Å1.48Å
CAUCBDsing1.50Å1.54Å
CAUHAU1sing1.10Å1.10Å
CAUHAU2sing1.10Å1.10Å
CBDCANdoub1.36Å1.35ÅAromatic
CBDNBKsing1.35Å1.33ÅAromatic
CANNAWsing1.37Å1.33ÅAromatic
CANHANsing1.08Å1.08Å
NAWCAOdoub1.31Å1.34ÅAromatic
CAONBKsing1.37Å1.33ÅAromatic
CAOHAOsing1.08Å1.08Å
NBKCACsing1.44Å1.51Å
CACHAC1sing1.09Å1.10Å
CACHAC2sing1.09Å1.10Å
CACHAC3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NBJCABHAB1109.5°108.0°
NBJCABHAB2109.5°109.5°
NBJCABHAB3109.5°109.3°
CABNBJCAR122.7°126.3°
CABNBJCAP127.4°126.2°
HAB1CABHAB2109.5°110.5°
HAB1CABHAB3109.4°110.5°
HAB2CABHAB3109.5°109.1°
CARNBJCAP110.0°107.5°
NBJCARCBE104.8°102.5°
NBJCARHAR127.6°122.4°
NBJCAPNAX107.9°111.8°
NBJCAPHAP126.0°122.5°
CBECARHAR127.6°135.1°
CARCBENAX112.1°115.9°
CARCBESBL121.6°124.3°
NAXCAPHAP126.0°125.8°
CAPNAXCBE105.1°102.3°
NAXCBESBL126.2°119.8°
CBESBLOAF108.8°107.3°
CBESBLOAE108.9°107.3°
CBESBLN114.5°102.6°
OAFSBLOAE110.7°119.4°
OAFSBLN104.0°109.5°
OAESBLN109.8°109.4°
SBLNCA111.9°117.9°
SBLNCBG117.1°117.7°
CANCBG120.1°111.9°
NCAC101.2°113.2°
NCAHA1112.3°107.6°
NCAHA2114.1°107.4°
NCBGCAS105.2°109.3°
NCBGCAV115.4°109.5°
NCBGHBG109.0°108.2°
CCAHA1112.3°108.9°
CCAHA2114.0°109.1°
CACO119.7°122.1°
CACOAY119.8°112.4°
HA1CAHA2103.3°110.6°
OCOAY120.5°125.4°
COAYCAA118.6°115.8°
OAYCAAHAA1109.5°109.5°
OAYCAAHAA2109.5°109.5°
OAYCAAHAA3109.5°109.0°
HAA1CAAHAA2109.5°110.1°
HAA1CAAHAA3109.4°109.4°
HAA2CAAHAA3109.5°109.4°
CASCBGCAV111.0°109.6°
CASCBGHBG113.6°110.1°
CBGCASCBC113.2°111.1°
CBGCASHAS1108.2°110.7°
CBGCASHAS2107.4°109.1°
CAVCBGHBG103.0°110.1°
CBGCAVNBH110.5°110.5°
CBGCAVHAV1109.1°111.0°
CBGCAVHAV2108.9°109.5°
NBHCAVHAV1109.1°109.4°
NBHCAVHAV2108.9°109.7°
CAVNBHCBF122.2°119.1°
CAVNBHCAU117.6°117.9°
HAV1CAVHAV2110.3°106.6°
CBCCASHAS1108.2°108.4°
CBCCASHAS2107.4°110.2°
CASCBCCAQ118.0°118.2°
CASCBCCBF121.7°121.0°
HAS1CASHAS2112.5°107.3°
CAQCBCCBF120.3°120.8°
CBCCAQCBB121.0°120.6°
CBCCAQHAQ119.5°120.4°
CBCCBFCAM119.1°116.9°
CBCCBFNBH119.2°120.8°
CBBCAQHAQ119.5°119.0°
CAQCBBCBA121.0°120.2°
CAQCBBCAL117.9°119.5°
CBACBBCAL121.0°120.3°
CBBCBACAJ123.1°120.0°
CBBCBACAK118.9°120.0°
CBBCALCAM121.1°120.2°
CBBCALHAL119.5°119.8°
CAJCBACAK117.8°120.0°
CBACAJCAH121.2°120.0°
CBACAJHAJ119.4°120.8°
CBACAKCAI121.4°120.0°
CBACAKHAK119.3°120.8°
CAHCAJHAJ119.4°119.2°
CAJCAHCAG119.9°120.0°
CAJCAHHAH120.1°120.0°
CAGCAHHAH120.0°120.0°
CAHCAGCAI119.6°120.1°
CAHCAGHAG120.2°120.0°
CAICAGHAG120.2°120.0°
CAGCAICAK120.0°120.0°
CAGCAIHAI120.0°120.1°
CAKCAIHAI120.0°120.0°
CAICAKHAK119.3°119.2°
CAMCALHAL119.5°120.1°
CALCAMCBF120.5°121.9°
CALCAMHAM119.8°117.5°
CBFCAMHAM119.8°120.6°
CAMCBFNBH121.7°122.3°
CBFNBHCAU120.2°121.3°
NBHCAUCBD108.7°112.0°
NBHCAUHAU1109.7°107.9°
NBHCAUHAU2109.9°107.8°
CBDCAUHAU1109.7°110.7°
CBDCAUHAU2109.9°111.1°
CAUCBDCAN126.9°130.7°
CAUCBDNBK126.5°122.5°
HAU1CAUHAU2108.9°107.2°
CANCBDNBK106.5°106.7°
CBDCANNAW108.7°110.2°
CBDCANHAN125.7°128.6°
CBDNBKCAO109.7°106.4°
CBDNBKCAC125.8°127.9°
NAWCANHAN125.6°121.2°
CANNAWCAO108.1°104.8°
NAWCAONBK107.1°111.8°
NAWCAOHAO126.4°125.8°
NBKCAOHAO126.5°122.4°
CAONBKCAC124.5°125.7°
NBKCACHAC1109.5°108.0°
NBKCACHAC2109.5°109.5°
NBKCACHAC3109.5°109.3°
HAC1CACHAC2109.5°110.4°
HAC1CACHAC3109.4°110.5°
HAC2CACHAC3109.5°109.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NBJCABHAB1HAB2120.0°119.7°
NBJCABHAB1HAB3120.0°119.5°
NBJCABHAB2HAB3120.0°119.5°
CABNBJCARCAP179.6°180.0°
CABNBJCARCBE179.3°180.0°
CABNBJCARHAR0.6°0.0°
CABNBJCAPNAX179.9°179.9°
CABNBJCAPHAP0.1°0.0°
HAB1CABHAB2HAB3120.0°121.6°
HAB1CABNBJCAR103.1°99.9°
HAB1CABNBJCAP76.4°80.1°
HAB2CABNBJCAR136.9°20.4°
HAB2CABNBJCAP43.6°159.6°
HAB3CABNBJCAR16.9°139.8°
HAB3CABNBJCAP163.6°40.2°
NBJCARCBEHAR180.0°180.0°
CARNBJCAPNAX0.4°0.1°
CARNBJCAPHAP179.7°180.0°
NBJCARCBENAX0.8°0.0°
NBJCARCBESBL179.5°180.0°
CAPNBJCARCBE0.2°0.0°
CAPNBJCARHAR179.8°180.0°
NBJCAPNAXHAP180.0°179.9°
NBJCAPNAXCBE0.8°0.1°
CARCBENAXCAP1.0°0.0°
CARCBENAXSBL178.6°180.0°
CARCBESBLOAF7.5°174.6°
CARCBESBLOAE113.3°45.2°
CARCBESBLN123.4°70.0°
HARCARCBENAX179.3°180.0°
HARCARCBESBL0.6°0.0°
CAPNAXCBESBL179.6°180.0°
HAPCAPNAXCBE179.2°180.0°
NAXCBESBLOAF174.0°5.4°
NAXCBESBLOAE65.2°134.9°
NAXCBESBLN58.1°110.0°
CBESBLOAFOAE119.7°122.2°
CBESBLOAFN122.4°110.7°
CBESBLOAEN126.1°110.6°
CBESBLNCA106.5°160.9°
CBESBLNCBG37.9°60.0°
OAFSBLOAEN114.3°127.2°
OAFSBLNCA134.9°85.4°
OAFSBLNCBG80.7°53.7°
OAESBLNCA16.4°47.3°
OAESBLNCBG160.8°173.7°
SBLNCACBG143.1°141.3°
SBLNCAC95.1°90.4°
SBLNCAHA124.9°30.0°
SBLNCAHA2142.0°149.1°
SBLNCBGCAS134.6°149.9°
SBLNCBGCAV102.8°90.0°
SBLNCBGHBG12.4°30.0°
NCACHA1120.0°119.7°
NCACHA2122.9°119.6°
NCAHA1HA2123.4°117.1°
NCACO6.0°0.4°
NCACOAY172.7°179.7°
CANCBGCAS84.1°68.7°
CANCBGCAV38.5°51.4°
CANCBGHBG153.8°171.4°
CBGNCAC121.7°128.3°
CBGNCAHA1118.2°111.3°
CBGNCAHA21.2°7.8°
NCBGCASCAV125.4°120.0°
NCBGCASHBG119.1°118.7°
NCBGCAVHBG118.7°118.9°
NCBGCAVNBH172.8°179.8°
NCBGCAVHAV152.8°58.2°
NCBGCAVHAV267.6°59.1°
NCBGCASCBC169.7°169.9°
NCBGCASHAS170.3°49.5°
NCBGCASHAS251.4°68.4°
CCAHA1HA2123.3°119.9°
CACOOAY178.7°180.0°
CACOAYCAA172.0°179.9°
HA1CACO126.0°120.0°
HA1CACOAY52.7°60.0°
HA2CACO116.9°119.2°
HA2CACOAY64.3°60.8°
OCOAYCAA9.2°0.0°
COAYCAAHAA1102.3°58.3°
COAYCAAHAA217.7°62.5°
COAYCAAHAA3137.7°177.9°
OAYCAAHAA1HAA2120.0°120.4°
OAYCAAHAA1HAA3120.0°119.4°
OAYCAAHAA2HAA3120.0°119.4°
HAA1CAAHAA2HAA3120.0°120.2°
CASCBGCAVHBG121.9°121.3°
CASCBGCAVNBH53.3°60.0°
CASCBGCAVHAV166.7°61.6°
CASCBGCAVHAV2172.9°179.0°
CBGCASCBCHAS1120.0°121.8°
CBGCASCBCHAS2118.4°121.1°
CBGCASHAS1HAS2118.5°119.0°
CBGCASCBCCAQ160.3°160.2°
CBGCASCBCCBF18.1°21.7°
CBGCAVNBHHAV1120.0°122.5°
CBGCAVNBHHAV2119.6°120.9°
CBGCAVHAV1HAV2119.6°119.2°
CAVCBGCASCBC44.4°49.8°
CAVCBGCASHAS1164.3°70.6°
CAVCBGCASHAS274.0°171.6°
CBGCAVNBHCBF38.4°40.9°
CBGCAVNBHCAU142.0°153.8°
HBGCBGCAVNBH68.5°61.3°
HBGCBGCAVHAV1171.5°177.1°
HBGCBGCAVHAV251.0°59.7°
HBGCBGCASCBC71.1°71.4°
HBGCBGCASHAS148.9°168.2°
HBGCBGCASHAS2170.5°50.3°
NBHCAVHAV1HAV2119.6°118.6°
CAVNBHCBFCBC11.3°11.4°
CAVNBHCBFCAM168.3°169.6°
CAVNBHCBFCAU179.6°164.8°
CAVNBHCAUCBD84.3°107.1°
CAVNBHCAUHAU135.7°14.9°
CAVNBHCAUHAU2155.4°130.5°
HAV1CAVNBHCBF81.6°81.6°
HAV1CAVNBHCAU98.0°83.7°
HAV2CAVNBHCBF158.0°161.8°
HAV2CAVNBHCAU22.4°32.9°
CBCCASHAS1HAS2118.5°119.0°
CASCBCCAQCBF178.5°178.1°
CASCBCCAQCBB178.0°179.3°
CASCBCCAQHAQ2.0°0.8°
CASCBCCBFCAM179.0°179.6°
CASCBCCBFNBH0.6°1.4°
HAS1CASCBCCAQ40.3°78.0°
HAS1CASCBCCBF138.1°100.0°
HAS2CASCBCCAQ81.3°39.1°
HAS2CASCBCCBF100.2°142.8°
CBCCAQCBBHAQ180.0°179.9°
CBCCAQCBBCBA178.4°179.8°
CBCCAQCBBCAL2.9°0.2°
CAQCBCCBFCAM2.6°1.6°
CAQCBCCBFNBH177.9°179.4°
CBFCBCCAQCBB3.5°1.2°
CBFCBCCAQHAQ176.5°178.9°
CBCCBFCAMCAL1.2°1.0°
CBCCBFCAMNBH179.6°179.0°
CBCCBFCAMHAM178.8°179.1°
CBCCBFNBHCAU169.1°176.2°
CAQCBBCBACAL175.4°179.9°
CAQCBBCBACAJ30.1°89.9°
CAQCBBCBACAK145.2°90.1°
CAQCBBCALCAM1.5°0.4°
CAQCBBCALHAL178.5°179.8°
HAQCAQCBBCBA1.5°0.0°
HAQCAQCBBCAL177.0°179.9°
CBBCBACAJCAK175.4°180.0°
CBBCBACAJCAH178.0°180.0°
CBBCBACAJHAJ2.1°0.0°
CBBCBACAKCAI177.6°180.0°
CBBCBACAKHAK2.4°0.0°
CBACBBCALCAM177.0°179.6°
CBACBBCALHAL3.0°0.3°
CALCBBCBACAJ154.5°90.0°
CALCBBCBACAK30.1°90.0°
CBBCALCAMHAL180.0°179.8°
CBBCALCAMCBF0.7°0.1°
CBBCALCAMHAM179.3°179.9°
CBACAJCAHHAJ180.0°180.0°
CBACAJCAHCAG1.6°0.0°
CBACAJCAHHAH178.4°179.9°
CAJCBACAKCAI2.0°0.0°
CAJCBACAKHAK178.0°180.0°
CAKCBACAJCAH2.5°0.0°
CAKCBACAJHAJ177.5°180.0°
CBACAKCAICAG0.5°0.0°
CBACAKCAIHAK180.0°180.0°
CBACAKCAIHAI179.5°180.0°
CAJCAHCAGHAH180.0°179.9°
CAJCAHCAGCAI0.0°0.1°
CAJCAHCAGHAG180.0°180.0°
HAJCAJCAHCAG178.4°179.9°
HAJCAJCAHHAH1.6°0.0°
CAHCAGCAIHAG180.0°179.9°
CAHCAGCAICAK0.5°0.1°
CAHCAGCAIHAI179.5°180.0°
HAHCAHCAGCAI180.0°180.0°
HAHCAHCAGHAG0.0°0.1°
CAGCAICAKHAI180.0°180.0°
CAGCAICAKHAK179.5°180.0°
HAGCAGCAICAK179.4°180.0°
HAGCAGCAIHAI0.5°0.0°
HAICAICAKHAK0.5°0.0°
CALCAMCBFHAM180.0°179.8°
CALCAMCBFNBH179.2°180.0°
HALCALCAMCBF179.3°179.8°
HALCALCAMHAM0.7°0.1°
CAMCBFNBHCAU11.3°4.9°
HAMCAMCBFNBH0.8°0.2°
CBFNBHCAUCBD95.3°88.0°
CBFNBHCAUHAU1144.8°150.0°
CBFNBHCAUHAU225.1°34.5°
NBHCAUCBDHAU1120.0°120.4°
NBHCAUCBDHAU2120.3°120.6°
NBHCAUHAU1HAU2120.3°115.9°
NBHCAUCBDCAN11.3°0.1°
NBHCAUCBDNBK169.0°179.9°
CBDCAUHAU1HAU2120.3°121.3°
CAUCBDCANNBK179.8°180.0°
CAUCBDCANNAW179.8°180.0°
CAUCBDCANHAN0.2°0.1°
CAUCBDNBKCAO179.7°180.0°
CAUCBDNBKCAC1.0°0.0°
HAU1CAUCBDCAN131.3°120.5°
HAU1CAUCBDNBK49.0°59.5°
HAU2CAUCBDCAN109.0°120.5°
HAU2CAUCBDNBK70.7°59.5°
CBDCANNAWHAN180.0°179.9°
CBDCANNAWCAO0.7°0.0°
CANCBDNBKCAO0.1°0.0°
CANCBDNBKCAC179.2°180.0°
NBKCBDCANNAW0.4°0.0°
NBKCBDCANHAN179.6°179.9°
CBDNBKCAONAW0.5°0.0°
CBDNBKCAOCAC179.3°180.0°
CBDNBKCAOHAO179.5°179.9°
CBDNBKCACHAC133.6°83.3°
CBDNBKCACHAC286.4°36.9°
CBDNBKCACHAC3153.6°156.4°
CANNAWCAONBK0.7°0.1°
CANNAWCAOHAO179.3°180.0°
HANCANNAWCAO179.3°180.0°
NAWCAONBKHAO180.0°179.9°
NAWCAONBKCAC178.8°180.0°
CAONBKCACHAC1145.5°96.6°
CAONBKCACHAC294.5°143.1°
CAONBKCACHAC325.5°23.7°
HAOCAONBKCAC1.2°0.1°
NBKCACHAC1HAC2120.0°119.7°
NBKCACHAC1HAC3120.0°119.5°
NBKCACHAC2HAC3120.0°119.6°
HAC1CACHAC2HAC3120.0°121.6°

223532

PDB entries from 2024-08-07

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