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YS3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABCAWsing1.53Å1.54Å
OAHCBAsing1.43Å1.41Å
CACCBAsing1.53Å1.50Å
CAPCBAsing1.53Å1.57Å
CAPCAMsing1.53Å1.52Å
CAWCAMsing1.53Å1.52Å
CAWCAZsing1.53Å1.55Å
CBACADsing1.53Å1.55Å
CAOCAKsing1.54Å1.56Å
CAOCBCsing1.51Å1.57Å
CAZCBCsing1.52Å1.55Å
CAZCANsing1.55Å1.56Å
CAKCALsing1.53Å1.56Å
CBCCBBsing1.56Å1.54Å
CBCCAEsing1.53Å1.54Å
CALCAVsing1.52Å1.54Å
CANCAQsing1.56Å1.55Å
CBBCAQsing1.53Å1.53Å
CBBCAVsing1.50Å1.53Å
CAVCAJdoub1.33Å1.42Å
CAJCAIsing1.47Å1.40Å
CAICAUdoub1.33Å1.39Å
CAUCASsing1.51Å1.53Å
CAUCARsing1.51Å1.53Å
CASCAYsing1.53Å1.57Å
CARCAXsing1.53Å1.54Å
OAGCAYsing1.43Å1.43Å
CAYCATsing1.51Å1.52Å
CAXCATsing1.51Å1.51Å
CAXOAFsing1.43Å1.40Å
CATCAAdoub1.31Å1.37Å
OAHH1sing0.97Å0.95Å
CACH2sing1.09Å1.10Å
CACH3sing1.09Å1.10Å
CACH4sing1.09Å1.10Å
CADH5sing1.09Å1.10Å
CADH6sing1.09Å1.10Å
CADH7sing1.09Å1.10Å
CAPH8sing1.09Å1.10Å
CAPH9sing1.09Å1.10Å
CAMH10sing1.09Å1.10Å
CAMH11sing1.09Å1.10Å
CAWH12sing1.09Å1.10Å
CABH13sing1.09Å1.10Å
CABH14sing1.09Å1.10Å
CABH15sing1.09Å1.10Å
CAZH16sing1.09Å1.10Å
CANH17sing1.09Å1.10Å
CANH18sing1.09Å1.10Å
CAQH19sing1.09Å1.10Å
CAQH20sing1.09Å1.10Å
CBBH21sing1.09Å1.10Å
CAEH22sing1.09Å1.10Å
CAEH23sing1.09Å1.10Å
CAEH24sing1.09Å1.10Å
CAOH25sing1.09Å1.10Å
CAOH26sing1.09Å1.10Å
CAKH27sing1.09Å1.10Å
CAKH28sing1.09Å1.10Å
CALH29sing1.09Å1.10Å
CALH30sing1.09Å1.10Å
CAJH32sing1.08Å1.08Å
CAIH33sing1.08Å1.08Å
CASH35sing1.09Å1.10Å
CASH36sing1.09Å1.10Å
CARH37sing1.09Å1.10Å
CARH38sing1.09Å1.10Å
CAXH39sing1.09Å1.10Å
OAFH40sing0.97Å0.95Å
CAAH41sing1.08Å1.08Å
CAAH42sing1.08Å1.08Å
CAYH43sing1.09Å1.10Å
OAGH44sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABCAWCAM112.2°109.5°
CABCAWCAZ107.6°109.4°
CABCAWH12106.7°109.5°
CAWCABH13109.5°109.5°
CAWCABH14109.5°109.5°
CAWCABH15109.5°109.5°
OAHCBACAC110.2°109.5°
OAHCBACAP107.4°109.5°
OAHCBACAD106.5°109.4°
CBAOAHH1109.5°114.0°
CACCBACAP107.5°109.5°
CACCBACAD108.8°109.5°
CBACACH2109.5°109.5°
CBACACH3109.5°109.5°
CBACACH4109.5°109.5°
CBACAPCAM118.4°109.5°
CAPCBACAD116.4°109.5°
CBACAPH8107.2°109.5°
CBACAPH9107.2°109.5°
CAPCAMCAW109.1°109.4°
CAMCAPH8107.2°109.5°
CAMCAPH9107.2°109.5°
CAPCAMH10109.5°109.4°
CAPCAMH11109.6°109.5°
CAMCAWCAZ116.2°109.4°
CAWCAMH10109.6°109.5°
CAWCAMH11109.5°109.5°
CAMCAWH12107.0°109.5°
CAWCAZCBC117.4°110.3°
CAWCAZCAN116.0°110.3°
CAZCAWH12106.6°109.4°
CAWCAZH16106.3°110.3°
CBACADH5109.5°109.5°
CBACADH6109.5°109.4°
CBACADH7109.5°109.5°
CAKCAOCBC113.6°107.6°
CAOCAKCAL113.3°111.8°
CAKCAOH25108.4°109.9°
CAKCAOH26108.4°109.8°
CAOCAKH27108.5°109.0°
CAOCAKH28108.5°109.1°
CAOCBCCAZ113.7°118.4°
CAOCBCCBB107.1°107.6°
CAOCBCCAE111.3°108.8°
CBCCAOH25108.4°109.8°
CBCCAOH26108.4°109.8°
CBCCAZCAN103.6°105.1°
CAZCBCCBB94.8°103.2°
CAZCBCCAE112.9°109.3°
CBCCAZH16106.4°110.3°
CAZCANCAQ103.7°106.3°
CANCAZH16106.3°110.4°
CAZCANH17110.9°110.2°
CAZCANH18110.9°110.1°
CAKCALCAV111.0°110.8°
CALCAKH27108.5°109.0°
CALCAKH28108.5°109.1°
CAKCALH29109.1°109.2°
CAKCALH30109.1°109.2°
CBBCBCCAE116.1°109.2°
CBCCBBCAQ105.8°101.3°
CBCCBBCAV110.9°105.5°
CBCCBBH21106.7°111.4°
CBCCAEH22109.5°109.4°
CBCCAEH23109.5°109.5°
CBCCAEH24109.5°109.5°
CALCAVCBB109.2°115.2°
CALCAVCAJ124.6°122.4°
CAVCALH29109.1°109.2°
CAVCALH30109.1°109.3°
CANCAQCBB103.4°102.7°
CAQCANH17110.9°110.1°
CAQCANH18110.9°110.0°
CANCAQH19111.0°110.7°
CANCAQH20110.9°110.7°
CAQCBBCAV119.2°116.7°
CBBCAQH19111.0°110.8°
CBBCAQH20111.0°110.9°
CAQCBBH21106.8°110.8°
CBBCAVCAJ126.1°122.4°
CAVCBBH21106.8°110.7°
CAVCAJCAI120.1°120.0°
CAVCAJH32119.9°120.0°
CAJCAICAU123.1°120.0°
CAICAJH32119.9°120.0°
CAJCAIH33118.4°120.0°
CAICAUCAS118.8°120.6°
CAICAUCAR120.0°120.6°
CAUCAIH33118.5°120.0°
CASCAUCAR114.0°118.8°
CAUCASCAY110.3°108.6°
CAUCASH35109.3°109.7°
CAUCASH36109.3°109.6°
CAUCARCAX109.8°108.6°
CAUCARH37109.4°109.6°
CAUCARH38109.4°109.7°
CASCAYOAG110.9°109.6°
CASCAYCAT111.5°108.7°
CAYCASH35109.3°109.6°
CAYCASH36109.3°109.6°
CASCAYH43109.6°109.6°
CARCAXCAT106.0°108.6°
CARCAXOAF112.7°109.6°
CAXCARH37109.4°109.6°
CAXCARH38109.4°109.6°
CARCAXH39108.8°109.6°
OAGCAYCAT102.9°109.6°
OAGCAYH43111.5°109.8°
CAYOAGH44109.5°114.0°
CAYCATCAX115.1°118.7°
CAYCATCAA121.7°120.7°
CATCAYH43110.2°109.5°
CATCAXOAF109.0°109.7°
CAXCATCAA122.9°120.6°
CATCAXH39109.2°109.6°
OAFCAXH39110.9°109.7°
CAXOAFH40109.5°113.9°
CATCAAH41120.0°120.0°
CATCAAH42120.0°120.0°
H2CACH3109.5°109.4°
H2CACH4109.4°109.5°
H3CACH4109.4°109.5°
H5CADH6109.5°109.5°
H5CADH7109.5°109.5°
H6CADH7109.4°109.4°
H8CAPH9109.5°109.4°
H10CAMH11109.5°109.5°
H13CABH14109.5°109.5°
H13CABH15109.5°109.4°
H14CABH15109.5°109.5°
H17CANH18109.5°110.1°
H19CAQH20109.5°110.8°
H22CAEH23109.4°109.4°
H22CAEH24109.5°109.5°
H23CAEH24109.5°109.6°
H25CAOH26109.5°109.9°
H27CAKH28109.4°108.9°
H29CALH30109.4°109.1°
H35CASH36109.5°109.7°
H37CARH38109.5°109.8°
H41CAAH42120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABCAWCAMCAP74.4°65.0°
CABCAWCAMCAZ124.4°120.0°
CABCAWCAMH12116.7°120.1°
CABCAWCAZH12114.2°120.0°
CABCAWCAZCBC146.5°60.0°
CABCAWCAZCAN90.3°175.6°
CABCAWCAMH1045.6°54.9°
CABCAWCAMH11165.7°175.0°
CAWCABH13H14120.0°120.1°
CAWCABH13H15120.0°120.0°
CAWCABH14H15120.0°120.0°
CABCAWCAZH1627.6°62.1°
OAHCBACACCAP116.8°120.0°
OAHCBACACCAD116.3°120.0°
OAHCBACAPCAD119.2°119.9°
OAHCBACAPCAM84.7°65.0°
OAHCBACACH2180.0°60.0°
OAHCBACACH360.0°179.9°
OAHCBACACH460.0°60.0°
OAHCBACADH5180.0°60.0°
OAHCBACADH660.0°180.0°
OAHCBACADH760.0°60.1°
OAHCBACAPH8154.0°175.0°
OAHCBACAPH936.6°55.0°
CACCBACAPCAD122.3°120.0°
CACCBACAPCAM156.7°55.0°
CACCBAOAHH1180.0°59.9°
CBACACH2H3120.0°120.0°
CBACACH2H4120.0°120.0°
CBACACH3H4120.0°120.0°
CACCBACADH561.3°180.0°
CACCBACADH6178.7°60.0°
CACCBACADH758.7°59.9°
CACCBACAPH835.5°65.0°
CACCBACAPH982.0°175.0°
CBACAPCAMH8121.3°120.0°
CBACAPCAMH9121.3°120.1°
CBACAPCAMCAW154.3°180.0°
CAPCBAOAHH163.1°180.0°
CAPCBACACH263.2°180.0°
CAPCBACACH3176.8°60.0°
CAPCBACACH456.8°60.0°
CAPCBACADH560.3°60.0°
CAPCBACADH659.7°60.1°
CAPCBACADH7179.7°180.0°
CBACAPH8H9115.9°120.0°
CBACAPCAMH1034.3°60.0°
CBACAPCAMH1185.8°60.0°
CAPCAMCAWH10119.9°119.9°
CAPCAMCAWH11120.0°120.0°
CAPCAMCAWCAZ161.3°175.0°
CAMCAPCBACAD34.5°175.0°
CAMCAPH8H9115.9°120.0°
CAPCAMH10H11120.2°120.0°
CAPCAMCAWH1242.4°55.1°
CAMCAWCAZH12119.1°120.0°
CAMCAWCAZCBC86.8°180.0°
CAMCAWCAZCAN36.4°64.4°
CAWCAMCAPH884.5°60.0°
CAWCAMCAPH933.0°59.9°
CAWCAMH10H11120.2°120.1°
CAMCAWCABH13180.0°59.9°
CAMCAWCABH1460.0°180.0°
CAMCAWCABH1560.0°60.0°
CAMCAWCAZH16154.3°57.9°
CAWCAZCBCCAO69.6°92.2°
CAWCAZCBCCAN129.3°118.9°
CAWCAZCBCH16118.9°122.1°
CAWCAZCANH16117.9°122.2°
CAWCAZCBCCBB179.4°149.1°
CAWCAZCBCCAE58.4°33.0°
CAWCAZCANCAQ163.7°122.8°
CAZCAWCAMH1078.8°65.0°
CAZCAWCAMH1141.3°55.0°
CAZCAWCABH1351.0°60.0°
CAZCAWCABH14171.0°60.0°
CAZCAWCABH1569.0°180.0°
CAWCAZCANH1777.2°117.9°
CAWCAZCANH1844.6°3.7°
CADCBAOAHH162.2°60.1°
CADCBACACH263.7°60.0°
CADCBACACH356.4°60.0°
CADCBACACH4176.3°180.0°
CBACADH5H6120.0°120.0°
CBACADH5H7120.0°120.0°
CBACADH6H7120.0°119.9°
CADCBACAPH886.8°55.0°
CADCBACAPH9155.8°64.9°
CAKCAOCBCH25120.6°119.6°
CAKCAOCBCH26120.6°119.5°
CAKCAOCBCCAZ156.4°175.6°
CAOCAKCALH27120.6°120.5°
CAOCAKCALH28120.6°120.7°
CAKCAOCBCCBB53.1°68.1°
CAKCAOCBCCAE74.8°50.1°
CAOCAKCALCAV47.9°48.5°
CAKCAOH25H26118.1°120.9°
CAOCAKH27H28118.3°118.9°
CAOCAKCALH29168.2°168.9°
CAOCAKCALH3072.3°71.9°
CAOCBCCAZCBB111.0°118.6°
CAOCBCCAZCAE128.0°125.3°
CAOCBCCAZCAN161.1°148.9°
CBCCAOCAKCAL47.2°59.0°
CAOCBCCBBCAE125.0°118.0°
CAOCBCCBBCAQ166.4°171.5°
CAOCBCCBBCAV63.0°66.5°
CAOCBCCAZH1649.3°29.9°
CAOCBCCBBH2152.9°53.6°
CAOCBCCAEH22180.0°62.5°
CAOCBCCAEH2360.0°57.4°
CAOCBCCAEH2460.0°177.5°
CBCCAOH25H26118.1°120.9°
CBCCAOCAKH2773.4°61.5°
CBCCAOCAKH28167.7°179.7°
CBCCAZCANH16111.9°118.9°
CAZCBCCBBCAE118.5°116.2°
CBCCAZCANCAQ33.5°4.0°
CAZCBCCBBCAQ49.8°45.6°
CAZCBCCBBCAV179.6°167.6°
CBCCAZCAWH1232.3°60.0°
CBCCAZCANH17152.6°123.2°
CBCCAZCANH1885.6°115.2°
CAZCBCCBBH2163.6°72.2°
CAZCBCCAEH2250.7°68.1°
CAZCBCCAEH2369.2°172.0°
CAZCBCCAEH24170.8°51.9°
CAZCBCCAOH2535.8°56.1°
CAZCBCCAOH2683.0°64.8°
CANCAZCBCCBB50.1°30.2°
CANCAZCBCCAE70.9°85.9°
CAZCANCAQH17119.1°119.3°
CAZCANCAQH18119.1°119.2°
CAZCANCAQCBB1.9°24.2°
CANCAZCAWH12155.5°55.6°
CAZCANH17H18122.7°121.6°
CAZCANCAQH19117.1°142.5°
CAZCANCAQH20121.0°94.3°
CAKCALCAVH29120.2°120.4°
CAKCALCAVH30120.2°120.4°
CAKCALCAVCBB56.6°50.2°
CAKCALCAVCAJ120.4°129.8°
CALCAKCAOH2573.4°178.6°
CALCAKCAOH26167.8°60.5°
CALCAKH27H28118.3°118.9°
CAKCALH29H30119.3°119.3°
CBCCBBCAVCAL66.5°58.1°
CBCCBBCAQCAN30.9°42.3°
CBCCBBCAQCAV125.6°113.9°
CBCCBBCAQH21113.4°118.3°
CBCCBBCAVH21115.9°120.6°
CBCCBBCAVCAJ110.5°121.9°
CBBCBCCAZH1661.7°88.8°
CBCCBBCAQH19149.9°160.6°
CBCCBBCAQH2088.1°76.0°
CBBCBCCAEH2257.2°179.7°
CBBCBCCAEH23177.2°59.8°
CBBCBCCAEH2462.8°60.3°
CBBCBCCAOH2567.5°172.4°
CBBCBCCAOH26173.7°51.5°
CAECBCCBBCAQ68.6°70.6°
CAECBCCBBCAV62.0°51.5°
CAECBCCAZH16177.3°155.2°
CAECBCCBBH21177.9°171.6°
CBCCAEH22H23120.0°120.0°
CBCCAEH22H24120.0°120.0°
CBCCAEH23H24120.0°120.0°
CAECBCCAOH25164.7°69.4°
CAECBCCAOH2645.9°169.6°
CALCAVCBBCAQ170.4°169.6°
CALCAVCBBCAJ177.0°180.0°
CALCAVCAJCAI20.9°0.0°
CALCAVCBBH2149.4°62.5°
CAVCALCAKH2772.6°72.0°
CAVCALCAKH28168.5°169.2°
CAVCALH29H30119.3°119.4°
CALCAVCAJH32159.1°180.0°
CANCAQCBBH19119.0°118.2°
CANCAQCBBH20119.0°118.3°
CANCAQCBBCAV156.5°156.2°
CAQCANCAZH1678.4°114.9°
CAQCANH17H18122.7°121.5°
CANCAQH19H20122.8°123.2°
CANCAQCBBH2182.5°76.0°
CAQCBBCAVH21120.9°127.9°
CAQCBBCAVCAJ12.6°10.4°
CBBCAQCANH17121.0°95.1°
CBBCAQCANH18117.1°143.4°
CBBCAQH19H20122.8°123.5°
CBBCAVCAJCAI155.6°180.0°
CAVCBBCAQH1984.4°85.5°
CAVCBBCAQH2037.5°37.9°
CBBCAVCALH29176.9°170.6°
CBBCAVCALH3063.6°70.1°
CBBCAVCAJH3224.3°0.0°
CAVCAJCAIH32180.0°180.0°
CAVCAJCAICAU179.9°174.5°
CAJCAVCBBH21133.6°117.5°
CAJCAVCALH290.2°9.4°
CAJCAVCALH30119.4°109.9°
CAVCAJCAIH330.2°5.5°
CAJCAICAUH33180.0°179.9°
CAJCAICAUCAS169.6°174.1°
CAJCAICAUCAR41.7°5.8°
CAICAUCASCAR150.5°179.8°
CAICAUCASCAY159.5°124.8°
CAICAUCARCAX150.8°124.8°
CAUCAICAJH320.1°5.4°
CAICAUCASH3580.4°115.5°
CAICAUCASH3639.4°5.1°
CAICAUCARH3730.8°5.1°
CAICAUCARH3889.1°115.5°
CAUCASCAYH35120.1°119.8°
CAUCASCAYH36120.1°119.7°
CASCAUCARCAX59.1°55.1°
CAUCASCAYOAG68.2°70.2°
CAUCASCAYCAT45.8°49.5°
CASCAUCAIH3310.4°5.8°
CAUCASH35H36119.7°120.4°
CASCAUCARH37179.1°174.7°
CASCAUCARH3861.0°64.7°
CAUCASCAYH43168.2°169.2°
CARCAUCASCAY50.0°55.1°
CAUCARCAXH37120.0°119.7°
CAUCARCAXH38120.1°119.8°
CAUCARCAXCAT60.7°49.5°
CAUCARCAXOAF179.9°169.2°
CARCAUCAIH33138.3°174.3°
CARCAUCASH3570.1°64.7°
CARCAUCASH36170.2°174.8°
CAUCARH37H38119.9°120.5°
CAUCARCAXH3956.7°70.3°
CASCAYOAGCAT119.4°119.2°
CASCAYOAGH43122.5°120.5°
CASCAYCATH43122.0°119.7°
CASCAYCATCAX54.7°55.6°
CASCAYCATCAA130.7°124.7°
CAYCASH35H36119.6°120.4°
CASCAYOAGH44180.0°180.0°
CARCAXCATCAY61.0°55.6°
CARCAXCATOAF121.6°119.7°
CARCAXCATH39117.1°119.7°
CARCAXOAFH39122.3°120.4°
CARCAXCATCAA124.4°124.7°
CAXCARH37H38119.8°120.4°
CARCAXOAFH40180.0°180.0°
OAGCAYCATH43119.0°120.5°
OAGCAYCATCAX64.2°64.2°
OAGCAYCATCAA110.4°115.5°
OAGCAYCASH35171.8°170.0°
OAGCAYCASH3652.0°49.5°
CAYCATCAXCAA174.6°179.7°
CAYCATCAXOAF177.4°175.3°
CATCAYCASH3574.3°70.2°
CATCAYCASH36166.0°169.2°
CAYCATCAXH3956.1°64.2°
CAYCATCAAH41174.2°179.7°
CAYCATCAAH425.8°0.3°
CATCAYOAGH4460.6°60.9°
CATCAXOAFH39120.3°120.5°
CATCAXCARH37179.3°169.2°
CATCAXCARH3859.3°70.3°
CATCAXOAFH4062.5°60.9°
CAXCATCAAH410.0°0.0°
CAXCATCAAH42180.0°180.0°
CAXCATCAYH43176.7°175.3°
OAFCAXCATCAA2.8°5.0°
OAFCAXCARH3760.1°71.1°
OAFCAXCARH3859.8°49.5°
CAACATCAXH39118.5°115.5°
CATCAAH41H42180.0°180.0°
CAACATCAYH438.7°4.9°
H2CACH3H4120.0°120.0°
H5CADH6H7120.0°120.1°
H8CAPCAMH10155.6°180.0°
H8CAPCAMH1135.5°60.0°
H9CAPCAMH1087.0°60.0°
H9CAPCAMH11152.9°180.0°
H10CAMCAWH12162.3°175.0°
H11CAMCAWH1277.6°64.9°
H12CAWCABH1363.1°180.0°
H12CAWCABH1456.9°59.9°
H12CAWCABH15176.9°60.1°
H12CAWCAZH1686.6°177.9°
H13CABH14H15120.0°119.9°
H16CAZCANH1740.7°4.3°
H16CAZCANH18162.6°125.9°
H17CANCAQH191.9°23.2°
H17CANCAQH20120.0°146.4°
H18CANCAQH19123.8°98.4°
H18CANCAQH201.9°24.9°
H19CAQCBBH2136.5°42.3°
H20CAQCBBH21158.5°165.7°
H22CAEH23H24120.0°120.0°
H25CAOCAKH27166.0°58.0°
H25CAOCAKH2847.2°60.8°
H26CAOCAKH2747.2°179.0°
H26CAOCAKH2871.6°60.2°
H27CAKCALH2947.6°48.4°
H27CAKCALH30167.1°167.6°
H28CAKCALH2971.2°70.4°
H28CAKCALH3048.3°48.8°
H32CAJCAIH33179.9°174.5°
H35CASCAYH4348.1°49.4°
H36CASCAYH4371.6°71.1°
H37CARCAXH3963.4°49.4°
H38CARCAXH39176.7°170.0°
H39CAXOAFH4057.7°59.6°
H43CAYOAGH4457.5°59.5°

222926

PDB entries from 2024-07-24

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