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SummaryGeometryRelated PDB entries

S22

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CATCAUsing1.53Å1.55Å
CATNASsing1.47Å1.48Å
CAUCAVsing1.53Å1.54Å
CAVOAYsing1.43Å1.44Å
CAVCAWsing1.53Å1.55Å
CAWCAXsing1.53Å1.54Å
CAXNASsing1.47Å1.48Å
NASCANsing1.40Å1.39Å
CANCAOdoub1.39Å1.39ÅAromatic
CANCAMsing1.39Å1.39ÅAromatic
CAOCAPsing1.38Å1.39ÅAromatic
CAPOAQsing1.36Å1.37Å
CAPCAKdoub1.39Å1.41ÅAromatic
OAQCARsing1.43Å1.43Å
CAMCALdoub1.38Å1.38ÅAromatic
CALCAKsing1.39Å1.39ÅAromatic
CAKNAJsing1.40Å1.36Å
NAJCAAsing1.39Å1.36Å
CAACABdoub1.39Å1.39ÅAromatic
CAANAFsing1.32Å1.36ÅAromatic
CABCACsing1.39Å1.40ÅAromatic
NAFCAEdoub1.33Å1.34ÅAromatic
CAENAIsing1.37Å1.32ÅAromatic
CAECADsing1.40Å1.39ÅAromatic
NAICAHsing1.37Å1.34ÅAromatic
CAHCAGdoub1.34Å1.34ÅAromatic
CAGCADsing1.46Å1.33ÅAromatic
CADCACdoub1.41Å1.39ÅAromatic
CACNAZsing1.39Å1.35Å
NAZCBAsing1.40Å1.34Å
CBACBFdoub1.39Å1.39ÅAromatic
CBACBBsing1.39Å1.40ÅAromatic
CBFCBEsing1.38Å1.39ÅAromatic
CBECBDdoub1.38Å1.40ÅAromatic
CBDCBCsing1.38Å1.38ÅAromatic
CBCCBBdoub1.38Å1.40ÅAromatic
CBBSBGsing1.76Å1.75Å
SBGOBHdoub1.42Å1.50Å
SBGOBIdoub1.42Å1.51Å
SBGCBJsing1.81Å1.80Å
CBJCBLsing1.53Å1.53Å
CBJCBKsing1.53Å1.50Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
CAVHAVsing1.09Å1.10Å
OAYHOAYsing0.97Å0.95Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
CAXHAXsing1.09Å1.10Å
CAXHAXAsing1.09Å1.10Å
CAOHAOsing1.08Å1.08Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CARHARBsing1.09Å1.10Å
CAMHAMsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
NAJHNAJsing0.97Å1.00Å
CABHABsing1.08Å1.08Å
NAIHNAIsing0.97Å1.00Å
CAHHAHsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
NAZHNAZsing0.97Å1.00Å
CBFHBFsing1.08Å1.08Å
CBEHBEsing1.08Å1.08Å
CBDHBDsing1.08Å1.08Å
CBCHBCsing1.08Å1.08Å
CBJHBJsing1.09Å1.10Å
CBLHBLsing1.09Å1.10Å
CBLHBLAsing1.09Å1.10Å
CBLHBLBsing1.09Å1.10Å
CBKHBKsing1.09Å1.10Å
CBKHBKAsing1.09Å1.10Å
CBKHBKBsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
CAUCATNAS108.1°109.5°
CATCAUCAV113.8°109.3°
CAUCATHAT110.0°109.4°
CAUCATHATA110.3°109.5°
CATCAUHAU108.0°109.5°
CATCAUHAUA107.1°109.6°
CATNASCAX120.2°111.1°
CATNASCAN121.5°111.0°
NASCATHAT110.0°109.4°
NASCATHATA110.2°109.5°
CAUCAVOAY108.4°109.5°
CAUCAVCAW112.1°109.1°
CAVCAUHAU108.0°109.5°
CAVCAUHAUA107.0°109.5°
CAUCAVHAV108.4°109.5°
OAYCAVCAW109.4°109.6°
OAYCAVHAV111.2°109.5°
CAVOAYHOAY109.5°114.0°
CAVCAWCAX113.7°109.3°
CAWCAVHAV107.4°109.6°
CAVCAWHAW108.1°109.5°
CAVCAWHAWA107.2°109.5°
CAWCAXNAS110.9°109.5°
CAXCAWHAW108.1°109.5°
CAXCAWHAWA107.1°109.5°
CAWCAXHAX109.0°109.5°
CAWCAXHAXA108.7°109.5°
CAXNASCAN118.3°111.0°
NASCAXHAX109.0°109.5°
NASCAXHAXA108.7°109.4°
NASCANCAO120.9°120.0°
NASCANCAM117.7°120.0°
CAOCANCAM121.4°120.0°
CANCAOCAP118.5°120.0°
CANCAOHAO120.7°120.0°
CANCAMCAL119.9°120.1°
CANCAMHAM120.1°120.0°
CAOCAPOAQ119.7°120.1°
CAOCAPCAK120.7°119.9°
CAPCAOHAO120.7°120.0°
OAQCAPCAK119.5°120.0°
CAPOAQCAR113.4°117.0°
CAPCAKCAL119.0°120.0°
CAPCAKNAJ120.1°120.0°
OAQCARHAR109.5°109.5°
OAQCARHARA109.5°109.5°
OAQCARHARB109.4°109.5°
CAMCALCAK120.5°120.1°
CALCAMHAM120.1°120.0°
CAMCALHAL119.7°119.9°
CALCAKNAJ120.9°120.0°
CAKCALHAL119.7°120.0°
CAKNAJCAA126.9°120.0°
CAKNAJHNAJ116.5°120.0°
NAJCAACAB123.9°119.3°
NAJCAANAF117.6°119.3°
CAANAJHNAJ116.5°120.0°
CABCAANAF118.5°121.4°
CAACABCAC120.3°119.3°
CAACABHAB119.9°120.4°
CAANAFCAE122.6°121.8°
CABCACCAD119.2°118.0°
CABCACNAZ122.5°121.0°
CACCABHAB119.8°120.4°
NAFCAENAI132.3°133.0°
NAFCAECAD120.3°120.0°
NAICAECAD107.4°107.0°
CAENAICAH107.4°110.0°
CAENAIHNAI126.3°125.0°
CAECADCAG107.9°106.3°
CAECADCAC119.1°119.6°
NAICAHCAG110.3°109.8°
CAHNAIHNAI126.4°124.9°
NAICAHHAH124.8°125.1°
CAHCAGCAD107.0°106.9°
CAGCAHHAH124.8°125.1°
CAHCAGHAG126.5°126.6°
CAGCADCAC133.0°134.1°
CADCAGHAG126.5°126.5°
CADCACNAZ118.3°121.0°
CACNAZCBA123.4°120.0°
CACNAZHNAZ118.3°120.0°
NAZCBACBF118.9°120.0°
NAZCBACBB121.9°120.1°
CBANAZHNAZ118.3°120.0°
CBFCBACBB119.2°119.8°
CBACBFCBE119.2°119.9°
CBACBFHBF120.4°120.0°
CBACBBCBC121.3°119.9°
CBACBBSBG123.0°120.0°
CBFCBECBD121.8°120.1°
CBECBFHBF120.4°120.1°
CBFCBEHBE119.1°120.0°
CBECBDCBC119.2°120.1°
CBDCBEHBE119.1°120.0°
CBECBDHBD120.4°119.9°
CBDCBCCBB119.3°120.1°
CBCCBDHBD120.4°119.9°
CBDCBCHBC120.3°119.9°
CBCCBBSBG115.7°120.1°
CBBCBCHBC120.3°120.0°
CBBSBGOBH108.1°104.3°
CBBSBGOBI110.0°104.2°
CBBSBGCBJ108.2°104.4°
OBHSBGOBI114.0°121.1°
OBHSBGCBJ105.9°110.6°
OBISBGCBJ110.3°110.5°
SBGCBJCBL110.1°109.4°
SBGCBJCBK107.4°109.5°
SBGCBJHBJ111.0°109.5°
CBLCBJCBK111.2°109.5°
CBLCBJHBJ107.2°109.4°
CBJCBLHBL109.5°109.5°
CBJCBLHBLA109.5°109.5°
CBJCBLHBLB109.5°109.5°
CBKCBJHBJ109.9°109.5°
CBJCBKHBK109.5°109.5°
CBJCBKHBKA109.5°109.5°
CBJCBKHBKB109.4°109.5°
HATCATHATA108.4°109.5°
HAUCAUHAUA113.0°109.5°
HAWCAWHAWA112.8°109.5°
HAXCAXHAXA110.6°109.5°
HARCARHARA109.4°109.5°
HARCARHARB109.4°109.4°
HARACARHARB109.5°109.5°
HBLCBLHBLA109.4°109.4°
HBLCBLHBLB109.4°109.5°
HBLACBLHBLB109.5°109.5°
HBKCBKHBKA109.5°109.4°
HBKCBKHBKB109.4°109.4°
HBKACBKHBKB109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
CAUCATNASHAT120.0°119.9°
CAUCATNASHATA120.6°120.1°
CATCAUCAVHAU120.0°119.9°
CATCAUCAVHAUA118.1°120.0°
CATCAUCAVOAY99.6°177.6°
CATCAUCAVCAW21.2°57.7°
CAUCATNASCAX40.1°61.8°
CAUCATNASCAN140.9°174.1°
CAUCATHATHATA120.6°120.0°
CATCAUHAUHAUA118.2°120.1°
CATCAUCAVHAV139.6°62.3°
NASCATCAUCAV58.4°59.3°
CATNASCAXCAW13.5°61.8°
CATNASCAXCAN179.1°124.0°
CATNASCANCAO9.1°179.9°
CATNASCANCAM169.2°0.3°
NASCATHATHATA120.6°120.0°
NASCATCAUHAU61.6°179.2°
NASCATCAUHAUA176.4°60.8°
CATNASCAXHAX106.5°58.3°
CATNASCAXHAXA132.9°178.2°
CAUCAVOAYCAW122.5°119.7°
CAUCAVOAYHAV119.0°120.1°
CAUCAVCAWHAV119.0°119.9°
CAUCAVCAWCAX34.3°57.6°
CAVCAUCATHAT61.7°179.2°
CAVCAUCATHATA178.9°60.8°
CAVCAUHAUHAUA118.2°120.1°
CAUCAVOAYHOAY39.0°180.0°
CAUCAVCAWHAW154.3°177.6°
CAUCAVCAWHAWA83.8°62.3°
OAYCAVCAWHAV120.8°120.2°
OAYCAVCAWCAX154.6°177.6°
OAYCAVCAUHAU140.4°62.5°
OAYCAVCAUHAUA18.5°57.6°
OAYCAVCAWHAW85.4°62.5°
OAYCAVCAWHAWA36.5°57.6°
CAVCAWCAXHAW120.0°119.9°
CAVCAWCAXHAWA118.2°119.9°
CAVCAWCAXNAS53.0°59.2°
CAWCAVCAUHAU98.8°177.6°
CAWCAVCAUHAUA139.3°62.4°
CAWCAVOAYHOAY161.5°60.3°
CAVCAWHAWHAWA118.3°120.0°
CAVCAWCAXHAX67.0°60.8°
CAVCAWCAXHAXA172.4°179.2°
CAWCAXNASHAX120.0°120.0°
CAWCAXNASHAXA119.4°120.0°
CAWCAXNASCAN165.6°174.2°
CAXCAWCAVHAV84.6°62.2°
CAXCAWHAWHAWA118.3°120.1°
CAWCAXHAXHAXA119.4°120.0°
CAXNASCANCAO171.9°55.8°
CAXNASCANCAM9.9°124.5°
CAXNASCATHAT80.0°178.3°
CAXNASCATHATA160.6°58.3°
NASCAXCAWHAW173.0°179.1°
NASCAXCAWHAWA65.2°60.7°
NASCAXHAXHAXA119.4°119.9°
NASCANCAOCAM178.2°179.7°
NASCANCAOCAP179.0°180.0°
NASCANCAMCAL179.7°180.0°
CANNASCATHAT99.1°54.2°
CANNASCATHATA20.4°65.8°
CANNASCAXHAX74.5°65.8°
CANNASCAXHAXA46.1°54.2°
NASCANCAOHAO1.0°0.0°
NASCANCAMHAM0.3°0.0°
CANCAOCAPHAO180.0°180.0°
CANCAOCAPOAQ179.4°179.9°
CANCAOCAPCAK0.4°0.0°
CAOCANCAMCAL1.4°0.3°
CAOCANCAMHAM178.6°179.8°
CAMCANCAOCAP0.8°0.3°
CANCAMCALHAM180.0°180.0°
CANCAMCALCAK0.8°0.0°
CAMCANCAOHAO179.2°179.7°
CANCAMCALHAL179.3°180.0°
CAOCAPOAQCAK179.0°180.0°
CAOCAPOAQCAR5.8°0.0°
CAOCAPCAKCAL1.0°0.3°
CAOCAPCAKNAJ179.8°180.0°
OAQCAPCAKCAL180.0°179.6°
OAQCAPCAKNAJ0.8°0.0°
OAQCAPCAOHAO0.6°0.0°
CAPOAQCARHAR18.0°60.0°
CAPOAQCARHARA137.9°60.0°
CAPOAQCARHARB102.0°179.9°
CAKCAPOAQCAR175.2°180.0°
CAPCAKCALCAM0.4°0.3°
CAPCAKCALNAJ179.2°179.7°
CAPCAKNAJCAA146.1°137.9°
CAKCAPCAOHAO179.6°180.0°
CAPCAKCALHAL179.6°179.7°
CAPCAKNAJHNAJ33.9°42.1°
OAQCARHARHARA120.0°120.0°
OAQCARHARHARB120.0°119.9°
OAQCARHARAHARB120.0°120.0°
CAMCALCAKHAL180.0°180.0°
CAMCALCAKNAJ179.6°180.0°
CALCAKNAJCAA34.7°41.8°
CAKCALCAMHAM179.2°179.9°
CALCAKNAJHNAJ145.3°138.2°
CAKNAJCAAHNAJ180.0°180.0°
CAKNAJCAACAB7.3°173.5°
CAKNAJCAANAF173.1°6.2°
NAJCAKCALHAL0.3°0.0°
NAJCAACABNAF179.6°179.7°
NAJCAACABCAC179.2°180.0°
NAJCAANAFCAE179.9°180.0°
NAJCAACABHAB0.8°0.0°
CAACABCACHAB180.0°180.0°
CABCAANAFCAE0.5°0.2°
CAACABCACCAD1.0°0.0°
CAACABCACNAZ179.0°180.0°
CABCAANAJHNAJ172.7°6.5°
NAFCAACABCAC0.3°0.2°
CAANAFCAENAI178.7°180.0°
CAANAFCAECAD0.7°0.0°
NAFCAANAJHNAJ6.9°173.7°
NAFCAACABHAB179.6°179.8°
CABCACCADCAE0.8°0.3°
CABCACCADCAG178.6°179.9°
CABCACCADNAZ178.1°180.0°
CABCACNAZCBA18.8°108.3°
CABCACNAZHNAZ161.2°71.6°
NAFCAENAICAD179.5°180.0°
NAFCAENAICAH179.7°180.0°
NAFCAECADCAG179.6°180.0°
NAFCAECADCAC0.1°0.3°
NAFCAENAIHNAI0.3°0.1°
CAENAICAHHNAI180.0°179.9°
CAENAICAHCAG1.3°0.0°
NAICAECADCAG0.0°0.0°
NAICAECADCAC179.5°179.7°
CAENAICAHHAH178.7°180.0°
CADCAENAICAH0.8°0.0°
CAECADCAGCAH0.8°0.0°
CAECADCAGCAC179.4°179.6°
CAECADCACNAZ178.8°179.7°
CADCAENAIHNAI179.2°180.0°
CAECADCAGHAG179.2°180.0°
NAICAHCAGHAH180.0°179.9°
NAICAHCAGCAD1.3°0.0°
NAICAHCAGHAG178.7°180.0°
CAHCAGCADHAG180.0°180.0°
CAHCAGCADCAC179.8°179.7°
CAGCAHNAIHNAI178.7°179.9°
CAGCADCACNAZ0.5°0.1°
CADCAGCAHHAH178.7°180.0°
CADCACNAZCBA163.2°71.6°
CADCACCABHAB179.0°180.0°
CACCADCAGHAG0.2°0.3°
CADCACNAZHNAZ16.8°108.4°
CACNAZCBAHNAZ180.0°180.0°
CACNAZCBACBF37.2°5.8°
CACNAZCBACBB144.4°174.4°
NAZCACCABHAB1.0°0.0°
NAZCBACBFCBB178.5°179.8°
NAZCBACBFCBE180.0°180.0°
NAZCBACBBCBC179.4°179.7°
NAZCBACBBSBG2.5°0.0°
NAZCBACBFHBF0.1°0.0°
CBACBFCBEHBF180.0°180.0°
CBACBFCBECBD1.2°0.1°
CBFCBACBBCBC0.9°0.5°
CBFCBACBBSBG179.1°179.8°
CBFCBANAZHNAZ142.8°174.2°
CBACBFCBEHBE178.8°180.0°
CBBCBACBFCBE1.5°0.2°
CBACBBCBCCBD0.1°0.6°
CBACBBCBCSBG178.3°179.7°
CBACBBSBGOBH155.1°51.1°
CBACBBSBGOBI30.0°179.0°
CBACBBSBGCBJ90.6°65.0°
CBBCBANAZHNAZ35.7°5.6°
CBBCBACBFHBF178.6°179.8°
CBACBBCBCHBC179.9°179.8°
CBFCBECBDHBE180.0°180.0°
CBFCBECBDCBC0.3°0.1°
CBFCBECBDHBD179.6°180.0°
CBECBDCBCHBD180.0°180.0°
CBECBDCBCCBB0.2°0.3°
CBDCBECBFHBF178.8°179.9°
CBECBDCBCHBC179.8°179.9°
CBDCBCCBBHBC180.0°179.7°
CBDCBCCBBSBG178.3°179.7°
CBCCBDCBEHBE179.7°180.0°
CBCCBBSBGOBH26.7°128.6°
CBCCBBSBGOBI151.8°0.7°
CBCCBBSBGCBJ87.7°115.3°
CBBCBCCBDHBD179.8°179.7°
CBBSBGOBHOBI122.7°116.7°
CBBSBGOBHCBJ115.9°111.7°
CBBSBGOBICBJ119.3°111.7°
CBBSBGCBJCBL66.9°175.0°
CBBSBGCBJCBK54.3°55.0°
SBGCBBCBCHBC1.6°0.1°
CBBSBGCBJHBJ174.5°65.1°
OBHSBGOBICBJ119.0°131.6°
OBHSBGCBJCBL48.9°73.4°
OBHSBGCBJCBK170.1°166.6°
OBHSBGCBJHBJ69.7°46.6°
OBISBGCBJCBL172.7°63.4°
OBISBGCBJCBK66.0°56.6°
OBISBGCBJHBJ54.2°176.6°
SBGCBJCBLCBK118.9°120.0°
SBGCBJCBLHBJ120.9°120.0°
SBGCBJCBKHBJ120.9°120.1°
SBGCBJCBLHBL95.6°60.1°
SBGCBJCBLHBLA24.4°180.0°
SBGCBJCBLHBLB144.4°60.0°
SBGCBJCBKHBK92.1°60.0°
SBGCBJCBKHBKA28.0°180.0°
SBGCBJCBKHBKB148.0°60.0°
CBLCBJCBKHBJ118.6°119.9°
CBJCBLHBLHBLA120.0°120.0°
CBJCBLHBLHBLB120.0°120.1°
CBJCBLHBLAHBLB120.0°120.0°
CBLCBJCBKHBK28.5°180.0°
CBLCBJCBKHBKA148.5°60.0°
CBLCBJCBKHBKB91.5°60.0°
CBKCBJCBLHBL145.5°60.0°
CBKCBJCBLHBLA94.6°60.0°
CBKCBJCBLHBLB25.5°180.0°
CBJCBKHBKHBKA120.0°120.0°
CBJCBKHBKHBKB120.0°120.0°
CBJCBKHBKAHBKB120.0°120.0°
HATCATCAUHAU178.4°60.9°
HATCATCAUHAUA56.4°59.2°
HATACATCAUHAU58.9°59.1°
HATACATCAUHAUA63.0°179.2°
HAUCAUCAVHAV19.6°57.6°
HAUACAUCAVHAV102.3°177.7°
HAVCAVOAYHOAY80.0°59.9°
HAVCAVCAWHAW35.4°57.7°
HAVCAVCAWHAWA157.2°177.8°
HAWCAWCAXHAX53.0°59.1°
HAWCAWCAXHAXA67.5°60.9°
HAWACAWCAXHAX174.9°179.2°
HAWACAWCAXHAXA54.3°59.2°
HARCARHARAHARB120.0°120.0°
HAMCAMCALHAL0.8°0.0°
HNAINAICAHHAH1.3°0.0°
HAHCAHCAGHAG1.3°0.0°
HBFCBFCBEHBE1.2°0.0°
HBECBECBDHBD0.4°0.0°
HBDCBDCBCHBC0.2°0.0°
HBJCBJCBLHBL25.3°180.0°
HBJCBJCBLHBLA145.3°60.0°
HBJCBJCBLHBLB94.7°60.0°
HBJCBJCBKHBK147.0°60.1°
HBJCBJCBKHBKA92.9°60.0°
HBJCBJCBKHBKB27.0°179.9°
HBLCBLHBLAHBLB120.0°120.0°
HBKCBKHBKAHBKB120.0°119.9°

222415

PDB entries from 2024-07-10

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