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BH3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACAKsing1.53Å1.53Å
CAKCALsing1.53Å1.53Å
CALCAMsing1.53Å1.53Å
CAMCANsing1.53Å1.53Å
CANCAOsing1.53Å1.53Å
CAOCAPsing1.53Å1.53Å
CAPCAQsing1.53Å1.53Å
CAQCARsing1.53Å1.53Å
CARCASsing1.53Å1.53Å
CASCATsing1.53Å1.53Å
CATCAUsing1.53Å1.53Å
CAUCAVsing1.53Å1.53Å
CAVCAWsing1.53Å1.53Å
OAEPBCdoub1.52Å1.61Å
OABPBCsing1.52Å1.48Å
OADPBCsing1.61Å1.61Å
CAWCAXsing1.53Å1.53Å
PBCCAZsing1.82Å1.84Å
CAXNBAsing1.46Å1.48Å
CAJNBAdoub1.30Å1.33ÅAromatic
CAJNBBsing1.35Å1.33ÅAromatic
NBACAHsing1.34Å1.33ÅAromatic
CAZCAYsing1.53Å1.53Å
CAZPBDsing1.82Å1.84Å
OACPBDdoub1.52Å1.48Å
CAYNBBsing1.46Å1.48Å
NBBCAIsing1.37Å1.33ÅAromatic
OAFPBDsing1.61Å1.61Å
PBDOAGsing1.61Å1.61Å
CAHCAIdoub1.35Å1.33ÅAromatic
OADH1sing0.97Å0.95Å
CAZH3sing1.09Å1.10Å
OAFH4sing0.97Å0.95Å
OAGH5sing0.97Å0.95Å
CAYH6sing1.09Å1.10Å
CAYH7sing1.09Å1.10Å
CAJH8sing1.08Å1.08Å
CAIH9sing1.08Å1.08Å
CAHH10sing1.08Å1.08Å
CAXH11sing1.09Å1.10Å
CAXH12sing1.09Å1.10Å
CAWH13sing1.09Å1.10Å
CAWH14sing1.09Å1.10Å
CAVH15sing1.09Å1.10Å
CAVH16sing1.09Å1.10Å
CAUH17sing1.09Å1.10Å
CAUH18sing1.09Å1.10Å
CATH19sing1.09Å1.10Å
CATH20sing1.09Å1.10Å
CASH21sing1.09Å1.10Å
CASH22sing1.09Å1.10Å
CARH23sing1.09Å1.10Å
CARH24sing1.09Å1.10Å
CAQH25sing1.09Å1.10Å
CAQH26sing1.09Å1.10Å
CAPH27sing1.09Å1.10Å
CAPH28sing1.09Å1.10Å
CAOH29sing1.09Å1.10Å
CAOH30sing1.09Å1.10Å
CANH31sing1.09Å1.10Å
CANH32sing1.09Å1.10Å
CAMH33sing1.09Å1.10Å
CAMH34sing1.09Å1.10Å
CALH35sing1.09Å1.10Å
CALH36sing1.09Å1.10Å
CAKH37sing1.09Å1.10Å
CAKH38sing1.09Å1.10Å
CAAH39sing1.09Å1.10Å
CAAH40sing1.09Å1.10Å
CAAH41sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACAKCAL110.1°109.4°
CAACAKH37109.3°109.5°
CAACAKH38109.3°109.5°
CAKCAAH39109.5°109.4°
CAKCAAH40109.5°109.5°
CAKCAAH41109.4°109.4°
CAKCALCAM109.5°109.4°
CAKCALH35109.5°109.4°
CAKCALH36109.5°109.5°
CALCAKH37109.4°109.4°
CALCAKH38109.3°109.5°
CALCAMCAN109.8°109.4°
CALCAMH33109.4°109.5°
CALCAMH34109.4°109.5°
CAMCALH35109.5°109.5°
CAMCALH36109.5°109.5°
CAMCANCAO110.0°109.5°
CAMCANH31109.4°109.5°
CAMCANH32109.3°109.4°
CANCAMH33109.4°109.5°
CANCAMH34109.4°109.4°
CANCAOCAP109.7°109.5°
CANCAOH29109.4°109.5°
CANCAOH30109.4°109.5°
CAOCANH31109.3°109.5°
CAOCANH32109.4°109.5°
CAOCAPCAQ110.0°109.5°
CAOCAPH27109.3°109.5°
CAOCAPH28109.3°109.5°
CAPCAOH29109.4°109.5°
CAPCAOH30109.4°109.5°
CAPCAQCAR109.9°109.5°
CAPCAQH25109.4°109.4°
CAPCAQH26109.4°109.4°
CAQCAPH27109.3°109.4°
CAQCAPH28109.3°109.5°
CAQCARCAS109.9°109.5°
CAQCARH23109.4°109.5°
CAQCARH24109.4°109.5°
CARCAQH25109.4°109.5°
CARCAQH26109.4°109.5°
CARCASCAT109.8°109.5°
CARCASH21109.4°109.4°
CARCASH22109.4°109.5°
CASCARH23109.4°109.4°
CASCARH24109.3°109.4°
CASCATCAU109.8°109.5°
CASCATH19109.4°109.5°
CASCATH20109.4°109.5°
CATCASH21109.4°109.5°
CATCASH22109.4°109.5°
CATCAUCAV109.5°109.5°
CATCAUH17109.4°109.5°
CATCAUH18109.5°109.5°
CAUCATH19109.4°109.5°
CAUCATH20109.4°109.5°
CAUCAVCAW109.6°109.4°
CAUCAVH15109.4°109.5°
CAUCAVH16109.4°109.4°
CAVCAUH17109.5°109.5°
CAVCAUH18109.4°109.4°
CAVCAWCAX109.8°109.4°
CAVCAWH13109.4°109.5°
CAVCAWH14109.4°109.5°
CAWCAVH15109.4°109.5°
CAWCAVH16109.4°109.5°
OAEPBCOAB111.8°109.5°
OAEPBCOAD105.5°109.4°
OAEPBCCAZ106.3°109.5°
OABPBCOAD112.1°109.5°
OABPBCCAZ113.5°109.5°
OADPBCCAZ107.1°109.5°
PBCOADH1109.5°114.0°
CAWCAXNBA111.6°109.4°
CAWCAXH11108.9°109.4°
CAWCAXH12108.9°109.5°
CAXCAWH13109.4°109.4°
CAXCAWH14109.4°109.5°
PBCCAZCAY110.3°109.5°
PBCCAZPBD110.7°109.5°
PBCCAZH3107.9°109.5°
CAXNBACAJ125.8°125.4°
CAXNBACAH125.6°125.4°
NBACAXH11108.9°109.5°
NBACAXH12109.0°109.5°
NBACAJNBB108.1°108.7°
CAJNBACAH108.1°109.3°
NBACAJH8125.9°125.7°
CAJNBBCAY125.3°126.4°
CAJNBBCAI107.7°107.2°
NBBCAJH8125.9°125.6°
NBACAHCAI108.0°108.0°
NBACAHH10126.0°126.0°
CAYCAZPBD108.6°109.5°
CAZCAYNBB113.0°109.5°
CAYCAZH3111.6°109.4°
CAZCAYH6108.6°109.5°
CAZCAYH7108.6°109.5°
CAZPBDOAC113.4°109.5°
CAZPBDOAF106.9°109.5°
CAZPBDOAG105.3°109.4°
PBDCAZH3107.8°109.5°
OACPBDOAF112.8°109.5°
OACPBDOAG112.1°109.5°
CAYNBBCAI125.8°126.4°
NBBCAYH6108.6°109.4°
NBBCAYH7108.6°109.5°
NBBCAICAH108.0°106.8°
NBBCAIH9126.0°126.6°
OAFPBDOAG105.8°109.5°
PBDOAFH4109.5°114.0°
PBDOAGH5109.5°114.0°
CAHCAIH9126.0°126.5°
CAICAHH10126.0°126.0°
H6CAYH7109.5°109.4°
H11CAXH12109.5°109.5°
H13CAWH14109.5°109.5°
H15CAVH16109.5°109.5°
H17CAUH18109.5°109.4°
H19CATH20109.5°109.4°
H21CASH22109.5°109.5°
H23CARH24109.5°109.5°
H25CAQH26109.5°109.5°
H27CAPH28109.5°109.5°
H29CAOH30109.5°109.4°
H31CANH32109.5°109.4°
H33CAMH34109.5°109.5°
H35CALH36109.4°109.5°
H37CAKH38109.5°109.5°
H39CAAH40109.5°109.5°
H39CAAH41109.5°109.5°
H40CAAH41109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACAKCALH37120.1°120.0°
CAACAKCALH38120.1°120.0°
CAACAKCALCAM164.6°180.0°
CAACAKCALH3544.6°60.0°
CAACAKCALH3675.4°60.0°
CAACAKH37H38119.7°120.0°
CAKCAAH39H40120.0°120.0°
CAKCAAH39H41120.0°119.9°
CAKCAAH40H41120.0°120.0°
CAKCALCAMH35120.0°120.0°
CAKCALCAMH36120.0°120.0°
CAKCALCAMCAN140.9°180.0°
CAKCALCAMH3399.0°60.0°
CAKCALCAMH3420.9°60.1°
CAKCALH35H36120.0°120.0°
CALCAKH37H38119.8°120.0°
CALCAKCAAH39180.0°179.9°
CALCAKCAAH4060.0°60.0°
CALCAKCAAH4160.0°60.0°
CALCAMCANH33120.0°120.1°
CALCAMCANH34120.1°120.0°
CALCAMCANCAO166.9°180.0°
CALCAMCANH3173.1°59.9°
CALCAMCANH3246.8°60.0°
CALCAMH33H34119.9°120.1°
CAMCALH35H36120.0°120.1°
CAMCALCAKH3775.3°60.0°
CAMCALCAKH3844.5°60.0°
CAMCANCAOH31120.1°120.1°
CAMCANCAOH32120.1°120.0°
CAMCANCAOCAP130.0°180.0°
CAMCANCAOH2910.0°59.9°
CAMCANCAOH30109.9°60.0°
CAMCANH31H32119.8°119.9°
CANCAMH33H34119.8°119.9°
CANCAMCALH3520.9°60.0°
CANCAMCALH3699.1°60.0°
CANCAOCAPH29120.1°120.1°
CANCAOCAPH30120.0°120.0°
CANCAOCAPCAQ175.5°180.0°
CANCAOCAPH2764.5°60.0°
CANCAOCAPH2855.4°60.0°
CANCAOH29H30119.9°120.0°
CAOCANH31H32119.8°120.0°
CAOCANCAMH3346.8°59.9°
CAOCANCAMH3473.1°60.0°
CAOCAPCAQH27120.1°120.0°
CAOCAPCAQH28120.1°120.0°
CAOCAPCAQCAR161.3°180.0°
CAOCAPCAQH2578.7°60.0°
CAOCAPCAQH2641.2°60.0°
CAOCAPH27H28119.7°120.0°
CAPCAOH29H30119.9°119.9°
CAPCAOCANH31109.9°60.0°
CAPCAOCANH329.9°60.0°
CAPCAQCARH25120.0°119.9°
CAPCAQCARH26120.1°120.0°
CAPCAQCARCAS116.4°NaN°
CAPCAQCARH233.6°60.1°
CAPCAQCARH24123.6°60.0°
CAPCAQH25H26119.8°120.0°
CAQCAPH27H28119.8°120.0°
CAQCAPCAOH2955.4°60.0°
CAQCAPCAOH3064.5°60.0°
CAQCARCASH23120.1°120.0°
CAQCARCASH24120.1°120.0°
CAQCARCASCAT157.4°180.0°
CAQCARCASH2182.6°60.0°
CAQCARCASH2237.4°60.0°
CAQCARH23H24119.8°120.1°
CARCAQH25H26119.8°120.1°
CARCAQCAPH2741.2°60.0°
CARCAQCAPH2878.7°60.0°
CARCASCATH21120.1°120.0°
CARCASCATH22120.0°120.0°
CARCASCATCAU142.0°180.0°
CARCASCATH1921.9°60.0°
CARCASCATH2098.0°60.0°
CARCASH21H22119.9°120.0°
CASCARH23H24119.8°120.0°
CASCARCAQH25123.6°60.1°
CASCARCAQH263.7°60.0°
CASCATCAUH19120.1°120.0°
CASCATCAUH20120.0°120.0°
CASCATCAUCAV154.6°180.0°
CASCATCAUH1734.6°60.0°
CASCATCAUH1885.4°60.0°
CASCATH19H20119.8°119.9°
CATCASH21H22119.8°120.0°
CATCASCARH2337.4°60.0°
CATCASCARH2482.5°60.0°
CATCAUCAVH17120.0°120.1°
CATCAUCAVH18120.0°120.0°
CATCAUCAVCAW107.8°180.0°
CATCAUCAVH15132.1°60.0°
CATCAUCAVH1612.2°60.0°
CATCAUH17H18120.0°120.0°
CAUCATH19H20119.9°120.0°
CAUCATCASH2197.9°60.0°
CAUCATCASH2222.0°60.0°
CAUCAVCAWH15120.0°120.0°
CAUCAVCAWH16120.0°120.0°
CAUCAVCAWCAX102.2°180.0°
CAUCAVCAWH1317.9°60.0°
CAUCAVCAWH14137.8°60.0°
CAUCAVH15H16119.9°120.0°
CAVCAUH17H18120.0°119.9°
CAVCAUCATH1985.3°59.9°
CAVCAUCATH2034.6°60.0°
CAVCAWCAXH13120.0°120.0°
CAVCAWCAXH14120.0°120.0°
CAVCAWCAXNBA137.4°180.0°
CAVCAWCAXH11102.3°60.0°
CAVCAWCAXH1217.1°60.0°
CAVCAWH13H14119.9°120.1°
CAWCAVH15H16119.9°120.1°
CAWCAVCAUH1712.2°59.9°
CAWCAVCAUH18132.2°60.0°
OAEPBCOABOAD118.2°120.0°
OAEPBCOABCAZ120.3°120.0°
OAEPBCOADCAZ113.0°120.0°
OAEPBCCAZCAY74.7°60.0°
OAEPBCCAZPBD165.1°180.0°
OAEPBCOADH1121.9°60.0°
OAEPBCCAZH347.4°60.0°
OABPBCOADCAZ125.1°120.0°
OABPBCCAZCAY162.0°180.0°
OABPBCCAZPBD41.8°60.0°
OABPBCOADH10.0°60.0°
OABPBCCAZH375.9°60.0°
OADPBCCAZCAY37.7°60.0°
OADPBCCAZPBD82.4°60.0°
OADPBCCAZH3159.8°179.9°
CAWCAXNBAH11120.3°120.0°
CAWCAXNBAH12120.3°120.0°
CAWCAXNBACAJ69.0°90.0°
CAWCAXNBACAH119.7°89.8°
CAWCAXH11H12119.0°120.0°
CAXCAWH13H14119.9°120.0°
CAXCAWCAVH15137.8°60.0°
CAXCAWCAVH1617.9°60.0°
PBCCAZCAYPBD121.4°120.0°
PBCCAZCAYH3119.9°120.0°
PBCCAZPBDH3117.8°120.0°
PBCCAZPBDOAC44.1°60.0°
PBCCAZCAYNBB89.2°65.0°
PBCCAZPBDOAF80.8°180.0°
PBCCAZPBDOAG166.9°60.0°
CAZPBCOADH1125.1°180.0°
PBCCAZCAYH631.3°175.0°
PBCCAZCAYH7150.3°55.0°
CAXNBACAJCAH172.6°179.9°
CAXNBACAJNBB172.2°180.0°
CAXNBACAHCAI172.3°179.9°
CAXNBACAJH87.7°0.1°
CAXNBACAHH107.7°0.0°
NBACAXH11H12119.1°120.1°
NBACAXCAWH1317.4°60.0°
NBACAXCAWH14102.5°60.0°
NBACAJNBBH8180.0°180.0°
NBACAJNBBCAY167.8°179.9°
NBACAJNBBCAI0.3°0.2°
CAJNBACAHCAI0.3°0.0°
CAJNBACAHH10179.7°179.9°
CAJNBACAXH11170.7°150.0°
CAJNBACAXH1251.3°30.0°
NBBCAJNBACAH0.3°0.1°
CAJNBBCAYCAZ87.1°89.7°
CAJNBBCAYCAI165.9°179.6°
CAJNBBCAICAH0.1°0.2°
CAJNBBCAYH633.4°150.3°
CAJNBBCAYH7152.4°30.4°
CAJNBBCAIH9179.9°179.8°
NBACAHCAINBB0.2°0.2°
NBACAHCAIH10180.0°179.9°
CAHNBACAJH8179.7°179.8°
NBACAHCAIH9179.9°179.9°
CAHNBACAXH110.6°30.1°
CAHNBACAXH12120.0°150.2°
CAYCAZPBDH3121.1°119.9°
CAYCAZPBDOAC77.1°60.0°
CAZCAYNBBH6120.5°120.0°
CAZCAYNBBH7120.5°120.1°
CAZCAYNBBCAI107.0°90.0°
CAYCAZPBDOAF158.0°60.0°
CAYCAZPBDOAG45.7°180.0°
CAZCAYH6H7118.4°120.0°
CAZPBDOACOAF121.7°120.0°
CAZPBDOACOAG119.0°120.0°
PBDCAZCAYNBB149.4°175.0°
CAZPBDOAFOAG111.9°120.0°
CAZPBDOAFH4125.3°60.0°
CAZPBDOAGH5123.6°180.0°
PBDCAZCAYH690.1°55.0°
PBDCAZCAYH728.9°65.0°
OACPBDOAFOAG122.9°120.0°
OACPBDCAZH3161.8°180.0°
OACPBDOAFH40.0°180.0°
OACPBDOAGH50.0°60.0°
CAYNBBCAICAH167.9°179.9°
NBBCAYCAZH330.7°55.0°
NBBCAYH6H7118.4°120.0°
CAYNBBCAJH812.2°0.0°
CAYNBBCAIH912.1°0.1°
NBBCAICAHH9180.0°180.0°
CAINBBCAYH6132.5°30.1°
CAINBBCAYH713.5°150.0°
CAINBBCAJH8179.8°179.7°
NBBCAICAHH10179.8°180.0°
OAFPBDCAZH336.9°59.9°
OAFPBDOAGH5123.3°60.0°
OAGPBDCAZH375.3°60.0°
OAGPBDOAFH4122.8°60.0°
H3CAZCAYH6151.2°65.0°
H3CAZCAYH789.8°175.0°
H9CAICAHH100.1°0.0°
H11CAXCAWH13137.7°NaN°
H11CAXCAWH1417.8°60.0°
H12CAXCAWH13102.9°60.0°
H12CAXCAWH14137.1°180.0°
H13CAWCAVH15102.2°180.0°
H13CAWCAVH16137.9°60.0°
H14CAWCAVH1517.7°59.9°
H14CAWCAVH16102.2°180.0°
H15CAVCAUH17107.9°180.0°
H15CAVCAUH1812.1°60.0°
H16CAVCAUH17132.2°60.1°
H16CAVCAUH18107.8°NaN°
H17CAUCATH19154.7°180.0°
H17CAUCATH2085.4°60.0°
H18CAUCATH1934.6°60.0°
H18CAUCATH20154.6°NaN°
H19CATCASH21142.0°179.9°
H19CATCASH2298.1°60.1°
H20CATCASH2122.1°60.0°
H20CATCASH22142.0°180.0°
H21CASCARH23157.4°180.0°
H21CASCARH2437.5°60.0°
H22CASCARH2382.7°60.0°
H22CASCARH24157.5°180.0°
H23CARCAQH25116.4°180.0°
H23CARCAQH26123.7°59.9°
H24CARCAQH253.5°59.9°
H24CARCAQH26116.4°180.0°
H25CAQCAPH27161.2°180.0°
H25CAQCAPH2841.4°60.0°
H26CAQCAPH2778.9°60.0°
H26CAQCAPH28161.3°180.0°
H27CAPCAOH29175.5°179.9°
H27CAPCAOH3055.5°60.0°
H28CAPCAOH2964.7°60.1°
H28CAPCAOH30175.4°180.0°
H29CAOCANH31130.1°180.0°
H29CAOCANH32110.1°60.0°
H30CAOCANH3110.1°60.0°
H30CAOCANH32130.0°180.0°
H31CANCAMH33166.9°180.0°
H31CANCAMH3447.0°60.0°
H32CANCAMH3373.3°60.1°
H32CANCAMH34166.8°180.0°
H33CAMCALH35140.9°180.0°
H33CAMCALH3621.0°60.0°
H34CAMCALH3599.1°59.9°
H34CAMCALH36140.9°180.0°
H35CALCAKH37164.7°180.0°
H35CALCAKH3875.5°60.0°
H36CALCAKH3744.7°60.0°
H36CALCAKH38164.5°180.0°
H37CAKCAAH3959.9°60.0°
H37CAKCAAH4060.1°180.0°
H37CAKCAAH41179.9°59.9°
H38CAKCAAH3959.9°60.1°
H38CAKCAAH40179.9°60.0°
H38CAKCAAH4160.1°180.0°
H39CAAH40H41120.0°120.1°

225946

PDB entries from 2024-10-09

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