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SummaryGeometryRelated PDB entries

IBK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CAACATsing1.53Å1.53Å
CABCATsing1.53Å1.54Å
OACCAPdoub1.21Å1.24Å
CADCAEdoub1.34Å1.34ÅAromatic
CADCAFsing1.38Å1.34ÅAromatic
CAESAOsing1.76Å1.67ÅAromatic
CAFCASdoub1.36Å1.35ÅAromatic
CAGCAQsing1.41Å1.34ÅAromatic
CAGCARdoub1.37Å1.33ÅAromatic
CAHNALsing1.46Å1.49Å
CAHCATsing1.53Å1.52Å
CAIOAMsing1.43Å1.46Å
CAICAPsing1.51Å1.53Å
CAJOAMsing1.43Å1.42Å
CAJCAQsing1.51Å1.58Å
NAKOANsing1.21Å1.59ÅAromatic
NAKCAQdoub1.30Å1.34ÅAromatic
NALCAPsing1.35Å1.36Å
OANCARsing1.35Å1.41ÅAromatic
SAOCASsing1.76Å1.74ÅAromatic
CARCASsing1.47Å1.37Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
CADHADsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAHHAHsing1.09Å1.10Å
CAHHAHAsing1.09Å1.10Å
CAIHAIsing1.09Å1.10Å
CAIHAIAsing1.09Å1.10Å
CAJHAJsing1.09Å1.10Å
CAJHAJAsing1.09Å1.10Å
NALHNALsing0.97Å1.00Å
CATHATsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
CAACATCAB111.6°109.4°
CAACATCAH112.9°109.5°
CATCAAHAA109.5°109.5°
CATCAAHAAA109.5°109.5°
CATCAAHAAB109.4°109.5°
CAACATHAT107.9°109.5°
CABCATCAH108.5°109.5°
CATCABHAB109.5°109.4°
CATCABHABA109.5°109.5°
CATCABHABB109.5°109.4°
CABCATHAT107.8°109.5°
OACCAPCAI118.8°120.0°
OACCAPNAL125.6°120.0°
CAECADCAF115.8°115.2°
CADCAESAO108.7°110.0°
CAECADHAD122.1°122.5°
CADCAEHAE125.6°125.0°
CADCAFCAS114.7°114.5°
CAFCADHAD122.1°122.4°
CADCAFHAF122.6°122.8°
CAESAOCAS94.0°91.1°
SAOCAEHAE125.7°125.1°
CAFCASSAO106.7°109.3°
CAFCASCAR123.1°125.3°
CASCAFHAF122.6°122.8°
CAQCAGCAR113.6°103.9°
CAGCAQCAJ116.7°126.7°
CAGCAQNAK110.9°106.7°
CAQCAGHAG123.2°128.0°
CAGCAROAN108.3°106.1°
CAGCARCAS122.3°126.9°
CARCAGHAG123.2°128.1°
NALCAHCAT116.8°109.5°
CAHNALCAP123.7°120.0°
NALCAHHAH107.6°109.5°
NALCAHHAHA107.6°109.5°
CAHNALHNAL118.1°120.0°
CATCAHHAH107.6°109.5°
CATCAHHAHA107.6°109.5°
CAHCATHAT108.0°109.5°
OAMCAICAP113.2°109.5°
CAIOAMCAJ120.7°114.0°
OAMCAIHAI108.5°109.5°
OAMCAIHAIA108.5°109.4°
CAICAPNAL113.9°120.0°
CAPCAIHAI108.5°109.5°
CAPCAIHAIA108.5°109.4°
OAMCAJCAQ118.5°109.4°
OAMCAJHAJ107.2°109.4°
OAMCAJHAJA107.2°109.4°
CAJCAQNAK132.4°126.6°
CAQCAJHAJ107.2°109.5°
CAQCAJHAJA107.1°109.5°
OANNAKCAQ104.0°112.0°
NAKOANCAR103.1°111.4°
CAPNALHNAL118.1°120.0°
OANCARCAS128.6°127.0°
SAOCASCAR130.1°125.4°
HAACAAHAAA109.5°109.4°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.4°
HABCABHABA109.5°109.5°
HABCABHABB109.5°109.5°
HABACABHABB109.5°109.5°
HAHCAHHAHA109.5°109.5°
HAICAIHAIA109.5°109.5°
HAJCAJHAJA109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
CAACATCABCAH125.0°120.0°
CAACATCABHAT118.3°120.0°
CAACATCAHNAL16.7°175.0°
CAACATCAHHAT119.2°120.0°
CATCAAHAAHAAA120.0°120.0°
CATCAAHAAHAAB120.0°120.0°
CATCAAHAAAHAAB120.0°120.0°
CAACATCABHAB180.0°180.0°
CAACATCABHABA60.0°60.0°
CAACATCABHABB60.0°60.0°
CAACATCAHHAH104.4°55.0°
CAACATCAHHAHA137.8°65.0°
CABCATCAHNAL107.5°65.0°
CABCATCAHHAT116.5°120.0°
CABCATCAAHAA180.0°60.0°
CABCATCAAHAAA60.0°180.0°
CABCATCAAHAAB60.0°60.0°
CATCABHABHABA120.0°120.0°
CATCABHABHABB120.0°120.0°
CATCABHABAHABB120.0°119.9°
CABCATCAHHAH131.4°175.0°
CABCATCAHHAHA13.5°55.0°
OACCAPNALCAH23.6°0.0°
OACCAPCAIOAM94.0°0.0°
OACCAPCAINAL165.9°180.0°
OACCAPCAIHAI145.4°120.0°
OACCAPCAIHAIA26.5°120.0°
OACCAPNALHNAL156.4°180.0°
CAECADCAFHAD180.0°179.8°
CADCAESAOHAE180.0°180.0°
CAECADCAFCAS0.7°0.0°
CADCAESAOCAS0.3°0.0°
CAECADCAFHAF179.3°180.0°
CAFCADCAESAO0.1°0.0°
CADCAFCASHAF180.0°180.0°
CADCAFCASSAO0.9°0.0°
CADCAFCASCAR178.4°180.0°
CAFCADCAEHAE179.8°180.0°
CAESAOCASCAF0.7°0.0°
CAESAOCASCAR178.0°180.0°
SAOCAECADHAD179.9°179.8°
CAFCASCARCAG22.7°180.0°
CAFCASCAROAN146.7°0.0°
CAFCASSAOCAR177.3°180.0°
CASCAFCADHAD179.3°179.8°
CAQCAGCARHAG180.0°179.7°
CAGCAQCAJOAM170.0°0.1°
CAGCAQCAJNAK179.8°179.9°
CAGCAQNAKOAN1.1°0.1°
CAQCAGCAROAN4.1°0.0°
CAQCAGCARCAS175.4°180.0°
CAGCAQCAJHAJ48.7°119.9°
CAGCAQCAJHAJA68.7°120.0°
CARCAGCAQCAJ176.6°180.0°
CAGCAROANNAK3.0°0.0°
CARCAGCAQNAK3.3°0.1°
CAGCAROANCAS170.6°180.0°
CAGCARCASSAO160.4°0.0°
NALCAHCATHAH121.1°120.0°
NALCAHCATHAHA121.1°120.0°
CAHNALCAPCAI171.6°180.0°
CAHNALCAPHNAL180.0°180.0°
NALCAHHAHHAHA116.7°120.0°
NALCAHCATHAT135.9°55.0°
CATCAHNALCAP92.1°180.0°
CAHCATCAAHAA57.5°180.0°
CAHCATCAAHAAA177.5°60.0°
CAHCATCAAHAAB62.5°60.0°
CAHCATCABHAB55.0°60.0°
CAHCATCABHABA65.0°180.0°
CAHCATCABHABB175.0°60.0°
CATCAHHAHHAHA116.7°120.0°
CATCAHNALHNAL87.9°0.0°
OAMCAICAPHAI120.5°120.1°
OAMCAICAPHAIA120.5°120.0°
CAIOAMCAJCAQ126.6°180.0°
OAMCAICAPNAL100.1°180.0°
OAMCAIHAIHAIA118.3°120.0°
CAIOAMCAJHAJ5.3°60.0°
CAIOAMCAJHAJA112.1°60.0°
CAPCAIOAMCAJ57.2°180.0°
CAPCAIHAIHAIA118.3°120.0°
CAICAPNALHNAL8.3°0.0°
OAMCAJCAQHAJ121.3°120.0°
OAMCAJCAQHAJA121.3°119.9°
OAMCAJCAQNAK9.9°180.0°
CAJOAMCAIHAI63.3°60.0°
CAJOAMCAIHAIA177.8°60.0°
OAMCAJHAJHAJA115.9°119.9°
CAJCAQNAKOAN178.7°180.0°
CAJCAQCAGHAG3.4°0.3°
CAQCAJHAJHAJA115.9°120.1°
NAKOANCARCAS173.6°180.0°
CAQNAKOANCAR1.2°0.0°
NAKCAQCAGHAG176.7°179.7°
NAKCAQCAJHAJ131.2°60.0°
NAKCAQCAJHAJA111.4°60.1°
CAPNALCAHHAH28.9°60.0°
CAPNALCAHHAHA146.8°60.0°
NALCAPCAIHAI20.4°60.0°
NALCAPCAIHAIA139.4°60.0°
OANCARCASSAO30.2°180.0°
OANCARCAGHAG176.0°179.7°
CASSAOCAEHAE179.7°180.0°
SAOCASCAFHAF179.1°180.0°
CARCASCAFHAF1.6°0.0°
CASCARCAGHAG4.7°0.3°
HAACAAHAAAHAAB120.0°119.9°
HAACAACATHAT61.8°60.0°
HAAACAACATHAT58.3°60.0°
HAABCAACATHAT178.2°180.0°
HABCABHABAHABB120.0°120.1°
HABCABCATHAT61.7°60.0°
HABACABCATHAT178.3°60.0°
HABBCABCATHAT58.3°180.0°
HADCADCAEHAE0.1°0.2°
HADCADCAFHAF0.7°0.2°
HAHCAHNALHNAL151.0°120.0°
HAHCAHCATHAT14.9°65.0°
HAHACAHNALHNAL33.1°120.0°
HAHACAHCATHAT103.0°175.0°

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PDB entries from 2024-07-24

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