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Q5E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL2CAJsing1.80Å1.90Å
CL1CAJsing1.80Å1.86Å
CAJCAAsing1.57Å1.52Å
CAJCADsing1.57Å1.50Å
CL3CAAsing1.80Å1.80Å
CL6CADsing1.80Å1.82Å
CAACAFsing1.53Å1.43Å
CAACABsing1.58Å1.58Å
CADCAEsing1.53Å1.42Å
CADCACsing1.56Å1.56Å
CAFCAEdoub1.32Å1.33Å
CAFCL4sing1.74Å1.75Å
CABCACsing1.56Å1.51Å
CABCANsing1.51Å1.39Å
CAECL5sing1.74Å1.74Å
CACCAOsing1.51Å1.41Å
CANOARdoub1.21Å1.25Å
CANNAPsing1.34Å1.35Å
CAOOAQdoub1.21Å1.23Å
CAONAPsing1.34Å1.36Å
NAPCASsing1.46Å1.48Å
CASCATsing1.53Å1.55Å
CAUCATsing1.53Å1.54Å
CAUCAVsing1.53Å1.54Å
CAVCAWsing1.53Å1.54Å
CAWCAXsing1.51Å1.54Å
CAXOAYdoub1.21Å1.26Å
CAXOAZsing1.34Å1.25Å
CACH1sing1.09Å1.10Å
CABH2sing1.09Å1.10Å
CASH3sing1.09Å1.10Å
CASH4sing1.09Å1.10Å
CATH5sing1.09Å1.10Å
CATH6sing1.09Å1.10Å
CAUH7sing1.09Å1.10Å
CAUH8sing1.09Å1.10Å
CAVH9sing1.09Å1.10Å
CAVH10sing1.09Å1.10Å
CAWH11sing1.09Å1.10Å
CAWH12sing1.09Å1.10Å
OAZH13sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL2CAJCL1101.1°112.2°
CL2CAJCAA117.2°112.5°
CL2CAJCAD116.8°112.8°
CL1CAJCAA113.1°112.5°
CL1CAJCAD116.8°112.2°
CAACAJCAD92.8°93.4°
CAJCAACL3113.8°116.6°
CAJCAACAF98.9°99.9°
CAJCAACAB99.9°100.5°
CAJCADCL6112.1°117.3°
CAJCADCAE99.4°99.9°
CAJCADCAC101.7°100.5°
CL3CAACAF117.9°116.3°
CL3CAACAB116.3°116.6°
CL6CADCAE117.4°116.2°
CL6CADCAC114.5°116.2°
CAFCAACAB107.3°104.5°
CAACAFCAE106.5°108.4°
CAACAFCL4127.9°125.8°
CAACABCAC104.7°102.6°
CAACABCAN114.4°108.3°
CAACABH2109.5°113.3°
CAECADCAC109.6°104.1°
CADCAECAF108.4°108.3°
CADCAECL5124.1°125.8°
CADCACCAB100.3°104.3°
CADCACCAO114.8°108.3°
CADCACH1111.4°113.3°
CAECAFCL4125.5°125.8°
CAFCAECL5127.5°125.8°
CACCABCAN105.0°103.2°
CABCACCAO103.0°103.3°
CABCACH1112.2°113.5°
CACCABH2110.5°114.4°
CABCANOAR121.7°125.2°
CABCANNAP112.0°109.6°
CANCABH2112.3°113.9°
CACCAOOAQ122.8°125.3°
CACCAONAP112.5°109.5°
CAOCACH1114.0°113.3°
OARCANNAP126.3°125.2°
CANNAPCAO107.4°114.5°
CANNAPCAS126.5°122.7°
OAQCAONAP124.7°125.2°
CAONAPCAS125.9°122.7°
NAPCASCAT115.7°109.5°
NAPCASH3107.9°109.5°
NAPCASH4107.9°109.5°
CASCATCAU111.9°109.5°
CATCASH3107.9°109.5°
CATCASH4107.9°109.5°
CASCATH5108.9°109.4°
CASCATH6108.9°109.5°
CATCAUCAV110.8°109.5°
CAUCATH5108.9°109.5°
CAUCATH6108.9°109.5°
CATCAUH7109.1°109.5°
CATCAUH8109.1°109.5°
CAUCAVCAW109.7°109.5°
CAVCAUH7109.1°109.5°
CAVCAUH8109.2°109.5°
CAUCAVH9109.4°109.4°
CAUCAVH10109.4°109.5°
CAVCAWCAX111.8°109.4°
CAWCAVH9109.4°109.5°
CAWCAVH10109.4°109.5°
CAVCAWH11108.9°109.4°
CAVCAWH12108.9°109.5°
CAWCAXOAY116.8°120.1°
CAWCAXOAZ117.9°120.0°
CAXCAWH11108.9°109.5°
CAXCAWH12108.9°109.5°
OAYCAXOAZ125.2°120.0°
CAXOAZH13109.5°117.0°
H3CASH4109.5°109.4°
H5CATH6109.4°109.5°
H7CAUH8109.5°109.4°
H9CAVH10109.5°109.5°
H11CAWH12109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL2CAJCL1CAA126.1°128.1°
CL2CAJCL1CAD127.9°128.2°
CL2CAJCAACAD122.2°116.4°
CL2CAJCAACL358.9°68.1°
CL2CAJCADCL661.0°67.9°
CL2CAJCAACAF175.2°165.9°
CL2CAJCAACAB65.8°58.9°
CL2CAJCADCAE174.3°165.6°
CL2CAJCADCAC61.8°59.1°
CL1CAJCAACAD120.8°115.7°
CL1CAJCAACL358.2°59.8°
CL1CAJCADCL658.9°59.9°
CL1CAJCAACAF67.7°66.3°
CL1CAJCAACAB177.2°173.2°
CL1CAJCADCAE65.9°66.6°
CL1CAJCADCAC178.3°173.1°
CAJCAACL3CAF115.1°117.4°
CAJCAACL3CAB115.3°118.6°
CAACAJCADCL6176.6°175.9°
CAJCAACAFCAB103.4°103.6°
CAACAJCADCAE51.8°49.4°
CAACAJCADCAC60.6°57.1°
CAJCAACAFCAE36.4°33.4°
CAJCAACAFCL4147.0°146.7°
CAJCAACABCAC33.6°36.8°
CAJCAACABCAN148.0°145.5°
CAJCAACABH284.9°87.1°
CADCAJCAACL3179.0°175.5°
CAJCADCL6CAE114.1°118.0°
CAJCADCL6CAC115.2°118.9°
CADCAJCAACAF53.1°49.4°
CADCAJCAACAB56.4°57.5°
CAJCADCAECAC106.1°103.6°
CAJCADCAECAF33.5°33.2°
CAJCADCACCAB40.4°36.0°
CAJCADCAECL5146.8°146.7°
CAJCADCACCAO150.1°145.5°
CAJCADCACH178.5°87.9°
CL3CAACAFCAB133.6°130.1°
CL3CAACAFCAE159.4°159.7°
CL3CAACAFCL424.0°20.3°
CL3CAACABCAC156.5°163.8°
CL3CAACABCAN89.1°87.5°
CL3CAACABH238.0°39.9°
CL6CADCAECAC132.9°129.2°
CL6CADCAECAF154.5°160.5°
CL6CADCACCAB161.5°163.6°
CL6CADCAECL525.8°19.5°
CL6CADCACCAO88.8°86.8°
CL6CADCACH142.6°39.8°
CAACAFCAECAD2.1°0.1°
CAACAFCAECL4176.7°180.0°
CAFCAACABCAC69.0°66.3°
CAFCAACABCAN45.4°42.3°
CAACAFCAECL5177.6°180.0°
CAFCAACABH2172.5°169.8°
CAACABCACCAD3.5°0.5°
CABCAACAFCAE67.0°70.3°
CABCAACAFCL4109.6°109.7°
CAACABCACCAN120.8°112.5°
CAACABCACH2117.9°123.2°
CAACABCANH2125.6°127.1°
CAACABCACCAO122.1°112.7°
CAACABCANOAR65.9°70.7°
CAACABCANNAP114.1°108.3°
CAACABCACH1114.8°124.2°
CADCAECAFCL5179.6°179.9°
CADCAECAFCL4178.8°180.0°
CAECADCACCAB64.1°67.1°
CAECADCACCAO45.5°42.4°
CAECADCACH1176.9°169.0°
CACCADCAECAF72.6°70.3°
CADCACCABCAO118.6°113.2°
CADCACCABH1118.4°123.7°
CADCACCABCAN117.3°113.0°
CACCADCAECL5107.0°109.7°
CADCACCAOH1130.1°126.6°
CADCACCAOOAQ73.2°69.8°
CADCACCAONAP105.7°109.9°
CADCACCABH2121.4°122.7°
CL4CAFCAECL50.8°0.0°
CACCABCANH2120.2°124.7°
CABCACCAOH1121.9°123.2°
CACCABCANOAR180.0°178.9°
CACCABCANNAP0.1°0.0°
CABCACCAOOAQ178.8°180.0°
CABCACCAONAP2.4°0.3°
CANCABCACCAO1.3°0.2°
CABCANOARNAP180.0°178.8°
CABCANNAPCAO1.5°0.2°
CABCANNAPCAS177.2°179.8°
CANCABCACH1124.3°123.3°
CACCAONAPCAN2.5°0.3°
CACCAOOAQNAP178.7°179.6°
CACCAONAPCAS178.2°179.7°
CAOCACCABH2120.0°124.1°
OARCANNAPCAO178.5°179.1°
OARCANNAPCAS2.8°0.9°
OARCANCABH259.8°56.4°
CANNAPCAOOAQ178.7°180.0°
CANNAPCAOCAS175.7°180.0°
CANNAPCASCAT106.5°90.0°
NAPCANCABH2120.2°124.6°
CANNAPCASH3132.6°30.0°
CANNAPCASH414.4°150.0°
OAQCAONAPCAS2.9°0.0°
OAQCAOCACH156.9°56.8°
CAONAPCASCAT78.6°90.0°
NAPCAOCACH1124.2°123.5°
CAONAPCASH342.3°150.0°
CAONAPCASH4160.5°30.0°
NAPCASCATH3120.9°120.0°
NAPCASCATH4120.9°120.0°
NAPCASCATCAU64.2°180.0°
NAPCASH3H4117.1°120.0°
NAPCASCATH556.2°60.0°
NAPCASCATH6175.4°60.0°
CASCATCAUH5120.3°120.0°
CASCATCAUH6120.4°120.0°
CASCATCAUCAV143.1°NaN°
CATCASH3H4117.2°120.0°
CASCATH5H6118.9°120.0°
CASCATCAUH722.9°60.0°
CASCATCAUH896.7°60.0°
CATCAUCAVH7120.2°120.0°
CATCAUCAVH8120.2°120.0°
CATCAUCAVCAW85.2°180.0°
CAUCATCASH3174.9°60.0°
CAUCATCASH456.7°60.0°
CAUCATH5H6118.9°120.0°
CATCAUH7H8119.4°120.0°
CATCAUCAVH934.8°60.0°
CATCAUCAVH10154.7°60.0°
CAUCAVCAWH9120.0°120.0°
CAUCAVCAWH10120.0°120.0°
CAUCAVCAWCAX165.4°180.0°
CAVCAUCATH596.6°60.0°
CAVCAUCATH622.7°60.0°
CAVCAUH7H8119.4°120.0°
CAUCAVH9H10119.9°120.0°
CAUCAVCAWH1174.2°60.0°
CAUCAVCAWH1245.1°60.0°
CAVCAWCAXH11120.3°119.9°
CAVCAWCAXH12120.3°120.0°
CAVCAWCAXOAY170.4°0.0°
CAVCAWCAXOAZ8.3°180.0°
CAWCAVCAUH7154.6°60.0°
CAWCAVCAUH834.9°60.0°
CAWCAVH9H10119.9°120.0°
CAVCAWH11H12118.9°120.0°
CAWCAXOAYOAZ178.6°180.0°
CAXCAWCAVH945.4°60.1°
CAXCAWCAVH1074.6°60.0°
CAXCAWH11H12118.9°120.1°
CAWCAXOAZH13178.5°180.0°
OAYCAXCAWH1169.3°120.0°
OAYCAXCAWH1250.0°120.0°
OAYCAXOAZH130.0°0.0°
OAZCAXCAWH11112.1°60.1°
OAZCAXCAWH12128.6°60.0°
H1CACCABH23.0°1.1°
H3CASCATH564.8°180.0°
H3CASCATH654.5°60.0°
H4CASCATH5177.1°60.0°
H4CASCATH663.7°180.0°
H5CATCAUH7143.2°179.9°
H5CATCAUH823.6°60.0°
H6CATCAUH797.5°60.0°
H6CATCAUH8142.9°180.0°
H7CAUCAVH985.4°180.0°
H7CAUCAVH1034.6°60.0°
H8CAUCAVH9155.0°60.0°
H8CAUCAVH1085.1°180.0°
H9CAVCAWH11165.7°180.0°
H9CAVCAWH1274.9°59.9°
H10CAVCAWH1145.8°60.0°
H10CAVCAWH12165.1°180.0°

222415

PDB entries from 2024-07-10

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