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KLQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CANCBBsing1.55Å1.52Å
CANCBCsing1.56Å1.52Å
CBBOAQsing1.44Å1.43Å
CBBCALsing1.54Å1.52Å
OAQCBDsing1.43Å1.41Å
CALCAMsing1.54Å1.51Å
CBCCAMsing1.55Å1.52Å
CBCNBEsing1.48Å1.47Å
CBDNBEsing1.47Å1.45Å
CBDCAOsing1.53Å1.54Å
NBECASsing1.33Å1.39Å
CAONBFsing1.47Å1.47Å
OABCASdoub1.22Å1.22Å
CASCAZsing1.48Å1.45Å
NBFCAZsing1.37Å1.39Å
NBFCAJsing1.34Å1.36Å
CAZCAWdoub1.37Å1.37Å
CAJCAXdoub1.38Å1.36Å
CAWOADsing1.36Å1.37Å
CAWCBAsing1.47Å1.45Å
CAXCBAsing1.47Å1.43Å
CAXCARsing1.47Å1.46Å
CBAOACdoub1.22Å1.21Å
OAACARdoub1.22Å1.21Å
CARNAPsing1.35Å1.37Å
NAPCAKsing1.47Å1.43Å
CAKCAYsing1.51Å1.50Å
FAFCAUsing1.35Å1.32Å
CAYCAUdoub1.38Å1.38ÅAromatic
CAYCAVsing1.38Å1.39ÅAromatic
FAGCAVsing1.35Å1.34Å
CAUCAHsing1.38Å1.38ÅAromatic
CAVCAIdoub1.38Å1.38ÅAromatic
CAHCATdoub1.38Å1.38ÅAromatic
CAICATsing1.38Å1.37ÅAromatic
CATFAEsing1.35Å1.34Å
CAHH1sing1.08Å1.08Å
CAIH2sing1.08Å1.08Å
CAJH3sing1.08Å1.08Å
CAKH4sing1.09Å1.10Å
CAKH5sing1.09Å1.10Å
CALH6sing1.09Å1.10Å
CALH7sing1.09Å1.10Å
CAMH8sing1.09Å1.10Å
CAMH9sing1.09Å1.10Å
CANH10sing1.09Å1.10Å
CANH11sing1.09Å1.10Å
CAOH12sing1.09Å1.10Å
CAOH13sing1.09Å1.10Å
CBBH14sing1.09Å1.10Å
CBCH15sing1.09Å1.10Å
CBDH16sing1.09Å1.10Å
NAPH17sing0.97Å1.00Å
OADH18sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBBCANCBC97.5°100.6°
CANCBBOAQ106.9°107.0°
CANCBBCAL105.7°103.5°
CBBCANH10112.4°111.2°
CBBCANH11112.3°111.2°
CANCBBH14110.5°112.4°
CANCBCCAM106.5°102.7°
CANCBCNBE105.7°104.1°
CBCCANH10112.3°111.1°
CBCCANH11112.4°111.3°
CANCBCH15112.1°114.3°
OAQCBBCAL111.0°108.2°
CBBOAQCBD118.7°114.4°
OAQCBBH14112.0°112.2°
CBBCALCAM104.5°106.5°
CBBCALH6110.7°110.1°
CBBCALH7110.7°110.1°
CALCBBH14110.5°113.0°
OAQCBDNBE112.4°108.1°
OAQCBDCAO109.5°107.9°
OAQCBDH16109.2°107.8°
CALCAMCBC105.1°105.6°
CAMCALH6110.7°110.1°
CAMCALH7110.7°110.1°
CALCAMH8110.5°110.2°
CALCAMH9110.5°110.3°
CAMCBCNBE106.9°105.8°
CBCCAMH8110.6°110.2°
CBCCAMH9110.6°110.3°
CAMCBCH15112.1°114.2°
CBCNBECBD117.7°117.7°
CBCNBECAS116.3°121.6°
NBECBCH15113.0°114.5°
NBECBDCAO109.5°117.5°
CBDNBECAS126.0°120.6°
NBECBDH16108.7°107.5°
CBDCAONBF113.9°118.0°
CBDCAOH12108.3°107.7°
CBDCAOH13108.3°107.7°
CAOCBDH16107.6°107.7°
NBECASOAB120.9°118.8°
NBECASCAZ117.4°122.4°
CAONBFCAZ122.4°119.6°
CAONBFCAJ119.7°117.8°
NBFCAOH12108.3°107.8°
NBFCAOH13108.3°107.7°
OABCASCAZ121.6°118.8°
CASCAZNBF117.9°121.4°
CASCAZCAW120.3°117.8°
CAZNBFCAJ117.8°122.6°
NBFCAZCAW121.8°120.8°
NBFCAJCAX124.1°122.0°
NBFCAJH3118.0°119.0°
CAZCAWOAD120.5°120.5°
CAZCAWCBA120.5°119.1°
CAJCAXCBA119.9°118.3°
CAJCAXCAR119.0°120.9°
CAXCAJH3118.0°119.0°
OADCAWCBA119.0°120.4°
CAWOADH18109.5°114.0°
CAWCBACAX115.8°117.2°
CAWCBAOAC118.5°121.3°
CBACAXCAR121.0°120.8°
CAXCBAOAC125.6°121.4°
CAXCAROAA117.4°120.0°
CAXCARNAP123.9°120.0°
OAACARNAP118.7°120.0°
CARNAPCAK126.0°120.0°
CARNAPH17117.0°120.0°
NAPCAKCAY112.7°109.4°
NAPCAKH4108.6°109.4°
NAPCAKH5108.7°109.5°
CAKNAPH17117.0°120.0°
CAKCAYCAU123.4°120.0°
CAKCAYCAV124.0°120.0°
CAYCAKH4108.6°109.5°
CAYCAKH5108.6°109.5°
FAFCAUCAY118.8°120.0°
FAFCAUCAH115.9°120.0°
CAUCAYCAV112.6°120.0°
CAYCAUCAH125.2°120.0°
CAYCAVFAG118.6°120.0°
CAYCAVCAI126.5°120.0°
FAGCAVCAI114.9°120.0°
CAUCAHCAT117.1°120.0°
CAUCAHH1121.5°120.0°
CAVCAICAT115.9°119.9°
CAVCAIH2122.0°120.0°
CAHCATCAI122.7°120.0°
CAHCATFAE118.8°120.0°
CATCAHH1121.5°120.0°
CAICATFAE118.5°119.9°
CATCAIH2122.0°120.0°
H4CAKH5109.5°109.5°
H6CALH7109.5°110.0°
H8CAMH9109.5°110.2°
H10CANH11109.5°111.1°
H12CAOH13109.5°107.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBBCANCBCH10118.0°117.8°
CBBCANCBCH11118.0°117.8°
CANCBBOAQCAL114.8°110.9°
CANCBBOAQH14121.2°123.7°
CANCBBCALH14119.6°121.9°
CANCBBOAQCBD56.6°66.5°
CANCBBCALCAM31.7°25.3°
CBBCANCBCCAM41.0°44.2°
CBBCANCBCNBE72.5°65.9°
CANCBBCALH6151.0°94.0°
CANCBBCALH787.5°144.6°
CBBCANH10H11125.6°124.4°
CBBCANCBCH15164.0°168.5°
CBCCANCBBOAQ74.0°71.3°
CBCCANCBBCAL44.3°42.8°
CANCBCCAMCAL23.3°29.1°
CANCBCCAMNBE112.7°108.9°
CANCBCCAMH15123.0°124.3°
CANCBCNBEH15123.0°125.5°
CANCBCNBECBD54.8°60.2°
CANCBCNBECAS124.9°119.6°
CANCBCCAMH8142.6°148.1°
CANCBCCAMH996.0°90.0°
CBCCANH10H11125.6°124.5°
CBCCANCBBH14163.9°165.0°
OAQCBBCALH14124.9°124.9°
OAQCBBCALCAM83.8°87.9°
CBBOAQCBDNBE31.1°50.8°
CBBOAQCBDCAO152.9°178.8°
OAQCBBCALH635.4°152.8°
OAQCBBCALH7157.0°31.4°
OAQCBBCANH10168.0°170.9°
OAQCBBCANH1144.0°46.6°
CBBOAQCBDH1689.5°65.1°
CALCBBOAQCBD58.2°44.4°
CBBCALCAMH6119.2°119.3°
CBBCALCAMH7119.2°119.3°
CBBCALCAMCBC5.0°2.5°
CBBCALH6H7122.3°121.5°
CBBCALCAMH8114.3°121.5°
CBBCALCAMH9124.3°116.6°
CALCBBCANH1073.7°75.0°
CALCBBCANH11162.3°160.7°
OAQCBDNBECBC30.3°49.4°
OAQCBDNBECAO121.9°122.3°
OAQCBDNBEH16120.9°116.1°
OAQCBDCAOH16118.5°116.1°
OAQCBDNBECAS149.3°130.4°
OAQCBDCAONBF163.2°127.9°
OAQCBDCAOH1242.6°5.7°
OAQCBDCAOH1376.1°109.9°
CBDOAQCBBH14177.7°169.8°
CALCAMCBCH8119.3°119.0°
CALCAMCBCH9119.3°119.1°
CALCAMCBCNBE89.4°79.7°
CAMCALH6H7122.3°121.5°
CALCAMH8H9122.0°121.9°
CAMCALCBBH14151.3°147.2°
CALCAMCBCH15146.3°153.4°
CAMCBCNBEH15123.7°126.7°
CAMCBCNBECBD58.5°47.7°
CAMCBCNBECAS121.9°132.5°
CBCCAMCALH6124.2°121.8°
CBCCAMCALH7114.2°116.8°
CBCCAMH8H9122.1°121.9°
CAMCBCCANH1077.0°73.5°
CAMCBCCANH11159.0°162.1°
CBCNBECBDCAS179.6°179.8°
CBCNBECBDCAO152.2°171.7°
CBCNBECASOAB0.6°5.3°
CBCNBECASCAZ179.9°173.8°
NBECBCCAMH829.9°39.3°
NBECBCCAMH9151.3°161.1°
NBECBCCANH10169.5°176.3°
NBECBCCANH1145.5°51.9°
CBCNBECBDH1690.6°66.7°
NBECBDCAOH16117.9°121.5°
NBECBDCAONBF39.6°5.5°
CBDNBECASOAB179.7°174.9°
CBDNBECASCAZ0.2°6.0°
NBECBDCAOH1281.0°116.7°
NBECBDCAOH13160.3°127.7°
CBDNBECBCH15177.8°174.4°
CAOCBDNBECAS27.5°8.1°
CBDCAONBFH12120.6°122.2°
CBDCAONBFH13120.7°122.1°
CBDCAONBFCAZ28.7°1.0°
CBDCAONBFCAJ150.9°179.0°
CBDCAOH12H13118.0°115.8°
NBECASOABCAZ179.5°179.2°
NBECASCAZNBF15.8°1.0°
NBECASCAZCAW164.6°178.8°
CASNBECBCH151.9°5.8°
CASNBECBDH1689.7°113.5°
CAONBFCAZCAS0.3°1.5°
CAONBFCAZCAJ179.6°179.9°
CAONBFCAZCAW179.9°178.7°
CAONBFCAJCAX179.5°178.4°
CAONBFCAJH30.5°1.3°
NBFCAOH12H13118.0°115.9°
NBFCAOCBDH1678.2°115.9°
OABCASCAZNBF164.7°179.8°
OABCASCAZCAW14.9°0.4°
CASCAZNBFCAW179.6°179.8°
CASCAZNBFCAJ179.9°178.6°
CASCAZCAWOAD0.4°0.7°
CASCAZCAWCBA179.9°179.9°
CAZNBFCAJCAX0.9°1.5°
NBFCAZCAWOAD180.0°179.5°
NBFCAZCAWCBA0.3°0.2°
CAZNBFCAJH3179.1°178.8°
CAZNBFCAOH1292.0°121.2°
CAZNBFCAOH13149.3°123.1°
CAJNBFCAZCAW0.5°1.2°
NBFCAJCAXH3180.0°179.7°
NBFCAJCAXCBA1.1°0.4°
NBFCAJCAXCAR179.1°179.5°
CAJNBFCAOH1288.4°58.9°
CAJNBFCAOH1330.3°56.9°
CAZCAWOADCBA179.7°179.4°
CAZCAWCBACAX0.4°1.1°
CAZCAWCBAOAC179.9°178.9°
CAZCAWOADH186.4°179.4°
CAJCAXCBACAW0.8°0.8°
CAJCAXCBACAR177.9°179.9°
CAJCAXCBAOAC179.5°179.2°
CAJCAXCAROAA5.8°5.6°
CAJCAXCARNAP176.0°174.3°
OADCAWCBACAX179.8°179.5°
OADCAWCBAOAC0.2°0.5°
CAWCBACAXOAC179.6°180.0°
CAWCBACAXCAR178.7°179.3°
CBACAWOADH18173.9°0.0°
CBACAXCAROAA172.1°174.4°
CBACAXCARNAP6.0°5.7°
CBACAXCAJH3178.9°179.8°
CARCAXCBAOAC1.6°0.8°
CAXCAROAANAP178.2°179.9°
CAXCARNAPCAK177.9°174.9°
CARCAXCAJH30.9°0.2°
CAXCARNAPH172.1°5.1°
OAACARNAPCAK0.2°5.0°
OAACARNAPH17179.8°175.0°
CARNAPCAKH17180.0°180.0°
CARNAPCAKCAY102.4°180.0°
CARNAPCAKH4137.1°60.0°
CARNAPCAKH518.1°60.0°
NAPCAKCAYH4120.5°120.0°
NAPCAKCAYH5120.5°120.0°
NAPCAKCAYCAU123.3°90.1°
NAPCAKCAYCAV54.8°90.0°
NAPCAKH4H5118.5°120.0°
CAKCAYCAUFAF1.3°0.1°
CAKCAYCAUCAV178.3°179.9°
CAKCAYCAVFAG1.4°0.4°
CAKCAYCAUCAH179.4°179.9°
CAKCAYCAVCAI179.1°179.8°
CAYCAKH4H5118.5°120.0°
CAYCAKNAPH1777.6°0.0°
FAFCAUCAYCAH179.4°180.0°
FAFCAUCAYCAV179.6°180.0°
FAFCAUCAHCAT179.9°180.0°
FAFCAUCAHH10.1°0.2°
CAUCAYCAVFAG179.7°179.7°
CAUCAYCAVCAI0.8°0.3°
CAYCAUCAHCAT0.7°0.0°
CAYCAUCAHH1179.3°179.8°
CAUCAYCAKH4116.2°150.0°
CAUCAYCAKH52.8°29.9°
CAYCAVFAGCAI179.5°179.4°
CAVCAYCAUCAH1.1°0.0°
CAYCAVCAICAT0.2°0.6°
CAYCAVCAIH2179.8°180.0°
CAVCAYCAKH465.7°29.9°
CAVCAYCAKH5175.3°150.0°
FAGCAVCAICAT179.6°180.0°
FAGCAVCAIH20.3°0.6°
CAUCAHCATH1180.0°179.8°
CAUCAHCATCAI0.0°0.3°
CAUCAHCATFAE180.0°179.8°
CAVCAICATCAH0.3°0.6°
CAVCAICATH2180.0°179.4°
CAVCAICATFAE179.7°179.4°
CAHCATCAIFAE180.0°180.0°
CAHCATCAIH2179.7°180.0°
CAICATCAHH1179.9°180.0°
FAECATCAHH10.0°0.0°
FAECATCAIH20.3°0.0°
H4CAKNAPH1742.9°120.0°
H5CAKNAPH17161.9°120.0°
H6CALCAMH84.9°119.2°
H6CALCAMH9116.4°2.6°
H6CALCBBH1489.4°27.9°
H7CALCAMH8126.5°2.3°
H7CALCAMH95.1°124.1°
H7CALCBBH1432.1°93.5°
H8CAMCBCH1594.4°87.5°
H9CAMCBCH1527.0°34.3°
H10CANCBBH1445.9°47.3°
H10CANCBCH1546.0°50.7°
H11CANCBBH1478.1°77.0°
H11CANCBCH1578.1°73.7°
H12CAOCBDH16161.1°121.8°
H13CAOCBDH1642.4°6.2°

224931

PDB entries from 2024-09-11

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