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37H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OXTCdoub1.21Å1.26Å
OCsing1.34Å1.27Å
CCAsing1.51Å1.53Å
CANsing1.47Å1.48Å
CACBsing1.53Å1.55Å
CBCALsing1.53Å1.50Å
CALCAZsing1.53Å1.58Å
CAMNARsing1.46Å1.45Å
CAMCAZsing1.53Å1.51Å
NABCATdoub1.30Å1.35Å
NARCATsing1.37Å1.35Å
CAZCANsing1.53Å1.55Å
CATNAAsing1.37Å1.34Å
CANCBCsing1.53Å1.55Å
CBCCBAsing1.54Å1.53Å
CBCOASsing1.44Å1.47Å
OAGCBAsing1.43Å1.46Å
CBACBBsing1.54Å1.57Å
OASCBDsing1.44Å1.49Å
CBBCBDsing1.54Å1.48Å
CBBOAHsing1.43Å1.43Å
CBDN9sing1.47Å1.48Å
N9C8sing1.36Å1.35ÅAromatic
N9C4sing1.37Å1.33ÅAromatic
C8N7doub1.30Å1.34ÅAromatic
N3C4doub1.33Å1.34ÅAromatic
N3C2sing1.32Å1.40ÅAromatic
C4C5sing1.41Å1.34ÅAromatic
C2N1doub1.32Å1.38ÅAromatic
N7C5sing1.35Å1.34ÅAromatic
C5C6doub1.40Å1.34ÅAromatic
N1C6sing1.33Å1.34ÅAromatic
C6N6sing1.38Å1.34Å
C8H1sing1.08Å1.08Å
OH2sing0.97Å0.95Å
CAH3sing1.09Å1.10Å
NH4sing1.01Å1.00Å
NH5sing1.01Å1.00Å
CBH7sing1.09Å1.10Å
CBH8sing1.09Å1.10Å
CALH9sing1.09Å1.10Å
CALH10sing1.09Å1.10Å
CAZH11sing1.09Å1.10Å
CAMH12sing1.09Å1.10Å
CAMH13sing1.09Å1.10Å
NARH14sing0.97Å1.00Å
NABH15sing0.97Å1.00Å
NAAH16sing0.97Å1.00Å
NAAH17sing0.97Å1.00Å
CANH18sing1.09Å1.10Å
CANH19sing1.09Å1.10Å
CBCH20sing1.09Å1.10Å
CBAH21sing1.09Å1.10Å
OAGH22sing0.97Å0.95Å
CBBH23sing1.09Å1.10Å
OAHH24sing0.97Å0.95Å
CBDH25sing1.09Å1.10Å
C2H26sing1.08Å1.08Å
N6H27sing0.97Å1.00Å
N6H28sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OXTCO126.7°120.0°
OXTCCA118.5°120.0°
OCCA114.7°120.0°
COH2109.5°117.0°
CCAN105.7°109.5°
CCACB115.9°109.5°
CCAH3107.9°109.5°
NCACB111.1°109.5°
NCAH3108.5°109.5°
CANH4109.5°111.0°
CANH5109.5°111.0°
CACBCAL108.9°109.5°
CBCAH3107.6°109.5°
CACBH7109.6°109.4°
CACBH8109.6°109.5°
CBCALCAZ110.1°109.5°
CALCBH7109.6°109.5°
CALCBH8109.6°109.5°
CBCALH9109.3°109.5°
CBCALH10109.3°109.5°
CALCAZCAM101.3°109.5°
CALCAZCAN117.9°109.5°
CAZCALH9109.3°109.4°
CAZCALH10109.3°109.5°
CALCAZH11110.6°109.4°
NARCAMCAZ112.3°109.5°
CAMNARCAT124.1°120.0°
NARCAMH12108.8°109.5°
NARCAMH13108.7°109.5°
CAMNARH14118.0°120.0°
CAMCAZCAN103.8°109.5°
CAMCAZH11111.6°109.5°
CAZCAMH12108.7°109.4°
CAZCAMH13108.8°109.4°
NABCATNAR122.5°120.0°
NABCATNAA118.8°120.0°
CATNABH15112.0°120.0°
NARCATNAA118.7°120.0°
CATNARH14118.0°120.0°
CAZCANCBC114.7°109.5°
CANCAZH11111.0°109.5°
CAZCANH18108.1°109.5°
CAZCANH19108.1°109.4°
CATNAAH16120.0°120.0°
CATNAAH17120.0°120.0°
CANCBCCBA111.3°110.4°
CANCBCOAS110.2°110.4°
CBCCANH18108.1°109.5°
CBCCANH19108.1°109.5°
CANCBCH20109.9°110.3°
CBACBCOAS103.9°104.8°
CBCCBAOAG108.3°110.5°
CBCCBACBB104.1°104.1°
CBACBCH20110.2°110.4°
CBCCBAH21110.0°110.6°
CBCOASCBD109.9°105.2°
OASCBCH20111.1°110.5°
OAGCBACBB113.6°110.5°
OAGCBAH21111.1°110.5°
CBAOAGH22109.5°114.0°
CBACBBCBD103.8°104.1°
CBACBBOAH112.2°110.5°
CBBCBAH21109.5°110.5°
CBACBBH23109.7°110.5°
OASCBDCBB100.1°104.8°
OASCBDN9103.9°110.4°
OASCBDH25111.1°110.3°
CBDCBBOAH108.2°110.5°
CBBCBDN9118.3°110.4°
CBDCBBH23111.0°110.5°
CBBCBDH25111.3°110.3°
OAHCBBH23111.7°110.5°
CBBOAHH24109.5°114.0°
CBDN9C8129.6°126.2°
CBDN9C4122.8°126.3°
N9CBDH25111.2°110.4°
C8N9C4107.4°107.5°
N9C8N7108.0°109.9°
N9C8H1126.0°125.0°
N9C4N3130.8°134.9°
N9C4C5108.9°106.0°
C8N7C5108.0°109.4°
N7C8H1126.0°125.0°
C4N3C2119.6°120.6°
N3C4C5120.3°119.1°
N3C2N1118.9°122.5°
N3C2H26120.6°118.8°
C4C5N7107.7°107.2°
C4C5C6120.6°118.1°
C2N1C6118.9°121.2°
N1C2H26120.6°118.7°
N7C5C6131.6°134.7°
C5C6N1121.7°118.5°
C5C6N6117.7°120.8°
N1C6N6120.6°120.8°
C6N6H27109.5°120.0°
C6N6H28109.5°120.0°
H4NH5109.4°111.0°
H7CBH8109.5°109.5°
H9CALH10109.5°109.5°
H12CAMH13109.5°109.4°
H16NAAH17120.0°120.0°
H18CANH19109.5°109.5°
H27N6H28109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OXTCOCA176.0°180.0°
OXTCCAN154.8°20.0°
OXTCCACB81.8°100.0°
OXTCOH20.0°0.0°
OXTCCAH338.9°140.0°
OCCAN21.5°160.0°
OCCACB101.9°80.0°
OCCAH3137.4°40.0°
CCANCB126.4°120.0°
CCANH3115.5°120.0°
CCACBH3120.8°120.0°
CCACBCAL67.9°175.0°
CACOH2176.0°180.0°
CCANH4180.0°63.9°
CCANH560.0°60.0°
CCACBH752.0°65.0°
CCACBH8172.2°55.0°
NCACBH3118.6°120.0°
NCACBCAL52.7°65.0°
CANH4H5120.0°123.9°
NCACBH7172.6°55.0°
NCACBH867.2°175.0°
CACBCALH7119.9°120.0°
CACBCALH8119.9°120.0°
CACBCALCAZ171.9°174.8°
CBCANH453.6°176.0°
CBCANH5173.6°60.0°
CACBH7H8120.3°120.0°
CACBCALH968.0°65.2°
CACBCALH1051.8°54.8°
CBCALCAZH9120.1°120.0°
CBCALCAZH10120.1°120.0°
CBCALCAZCAM146.6°174.3°
CBCALCAZCAN101.0°65.6°
CALCBCAH3171.3°55.0°
CALCBH7H8120.2°120.0°
CBCALH9H10119.7°120.0°
CBCALCAZH1128.2°54.4°
CALCAZCAMNAR169.7°64.7°
CALCAZCAMCAN122.7°120.0°
CALCAZCAMH11117.7°119.9°
CALCAZCANH11129.0°119.9°
CALCAZCANCBC71.0°175.0°
CAZCALCBH752.0°54.9°
CAZCALCBH868.1°65.2°
CAZCALH9H10119.7°120.0°
CALCAZCAMH1249.3°175.2°
CALCAZCAMH1369.9°55.3°
CALCAZCANH1849.8°55.0°
CALCAZCANH19168.3°65.0°
NARCAMCAZH12120.4°120.0°
NARCAMCAZH13120.4°120.1°
CAMNARCATNAB4.8°0.0°
CAMNARCATH14180.0°180.0°
NARCAMCAZCAN67.6°175.2°
CAMNARCATNAA177.5°180.0°
NARCAMCAZH1152.1°55.2°
NARCAMH12H13118.7°120.0°
CAZCAMNARCAT150.3°175.1°
CAMCAZCANH11120.0°120.0°
CAMCAZCANCBC178.0°65.0°
CAMCAZCALH993.4°65.7°
CAMCAZCALH1026.5°54.3°
CAZCAMH12H13118.7°119.9°
CAZCAMNARH1429.7°4.9°
CAMCAZCANH1861.3°175.0°
CAMCAZCANH1957.2°55.0°
NABCATNARNAA177.7°180.0°
NABCATNARH14175.2°180.0°
NABCATNAAH16177.8°179.9°
NABCATNAAH172.2°0.0°
CATNARCAMH1289.3°55.1°
CATNARCAMH1329.9°64.9°
NARCATNABH15177.7°180.0°
NARCATNAAH160.0°0.0°
NARCATNAAH17180.0°180.0°
CAZCANCBCH18120.7°120.0°
CAZCANCBCH19120.7°119.9°
CAZCANCBCCBA77.8°175.0°
CAZCANCBCOAS167.4°69.6°
CANCAZCALH919.0°54.4°
CANCAZCALH10138.9°174.3°
CANCAZCAMH12172.0°55.2°
CANCAZCAMH1352.8°64.7°
CAZCANH18H19117.6°119.9°
CAZCANCBCH2044.6°52.7°
NAACATNARH142.5°0.0°
NAACATNABH150.0°0.0°
CATNAAH16H17180.0°179.9°
CANCBCCBAOAS118.6°118.8°
CANCBCCBAH20122.2°122.2°
CANCBCOASH20122.1°122.2°
CANCBCCBAOAG126.1°98.6°
CANCBCCBACBB112.7°142.8°
CANCBCOASCBD139.9°159.3°
CBCCANCAZH1158.0°55.0°
CBCCANH18H19117.6°120.1°
CANCBCCBAH214.6°24.1°
CBACBCOASH20118.5°118.9°
CBCCBAOAGCBB115.1°114.6°
CBCCBAOAGH21120.9°122.7°
CBCCBACBBH21117.6°118.7°
CBACBCOASCBD20.6°40.5°
CBCCBACBBCBD30.2°0.1°
CBCCBACBBOAH146.9°118.7°
CBACBCCANH18161.4°65.0°
CBACBCCANH1942.9°55.1°
CBCCBAOAGH22180.0°180.0°
CBCCBACBBH2388.4°118.7°
OASCBCCBAOAG115.2°142.6°
OASCBCCBACBB6.0°24.0°
CBCOASCBDCBB39.8°40.5°
CBCOASCBDN9162.4°159.4°
OASCBCCANH1846.6°50.4°
OASCBCCANH1971.9°170.4°
OASCBCCBAH21123.2°94.7°
CBCOASCBDH2577.9°78.3°
OAGCBACBBH21124.8°122.7°
OAGCBACBBCBD87.3°118.7°
OAGCBACBBOAH29.3°0.0°
OAGCBACBCH203.9°23.7°
OAGCBACBBH23154.0°122.7°
CBACBBCBDOAS41.2°23.9°
CBACBBCBDOAH119.4°118.7°
CBACBBCBDH23117.7°118.6°
CBACBBOAHH23123.6°122.6°
CBACBBCBDN9153.0°142.8°
CBBCBACBCH20125.1°94.9°
CBBCBAOAGH2264.9°65.4°
CBACBBOAHH24180.0°61.4°
CBACBBCBDH2576.3°94.9°
OASCBDCBBN9111.9°118.9°
OASCBDCBBH25117.5°118.8°
OASCBDCBBOAH160.6°142.7°
OASCBDN9H25119.6°122.3°
OASCBDN9C877.8°23.6°
OASCBDN9C496.8°156.4°
CBDOASCBCH2097.9°78.4°
OASCBDCBBH2376.6°94.7°
CBDCBBOAHH23122.4°122.7°
CBBCBDN9H25130.7°122.3°
CBBCBDN9C832.0°91.9°
CBBCBDN9C4153.5°88.2°
CBDCBBCBAH21147.8°118.7°
CBDCBBOAHH2466.0°176.1°
OAHCBBCBDN987.6°98.5°
OAHCBBCBAH2195.5°122.6°
OAHCBBCBDH2543.1°23.9°
CBDN9C8C4175.2°180.0°
CBDN9C8N7175.8°179.7°
CBDN9C4N33.7°0.2°
CBDN9C4C5175.3°180.0°
CBDN9C8H14.2°0.2°
N9CBDCBBH2335.3°24.2°
N9C8N7H1180.0°179.6°
C8N9C4N3179.2°179.7°
C8N9C4C50.3°0.0°
N9C8N7C51.2°0.4°
C8N9CBDH25162.6°145.8°
C4N9C8N70.6°0.3°
N9C4N3C5178.9°179.7°
N9C4N3C2179.3°179.7°
N9C4C5N71.0°0.2°
N9C4C5C6179.2°179.8°
C4N9C8H1179.4°179.9°
C4N9CBDH2522.8°34.1°
C8N7C5C41.4°0.4°
C8N7C5C6179.3°179.6°
C4N3C2N10.3°0.1°
N3C4C5N7179.9°180.0°
N3C4C5C61.7°0.0°
C4N3C2H26179.7°179.9°
C2N3C4C50.5°0.0°
N3C2N1H26180.0°179.9°
N3C2N1C61.4°0.1°
C4C5N7C6177.9°180.0°
C4C5C6N12.8°0.0°
C4C5C6N6179.3°179.9°
C2N1C6C52.7°0.0°
C2N1C6N6179.6°180.0°
N7C5C6N1179.5°180.0°
N7C5C6N61.6°0.1°
C5N7C8H1178.8°180.0°
C5C6N1N6177.8°180.0°
C5C6N6H27177.8°0.0°
C5C6N6H2857.9°180.0°
C6N1C2H26178.6°179.9°
N1C6N6H270.0°180.0°
N1C6N6H28120.0°0.1°
C6N6H27H28120.0°180.0°
H3CANH464.5°56.1°
H3CANH555.5°180.0°
H3CACBH768.8°175.0°
H3CACBH851.4°65.0°
H7CBCALH9172.1°174.8°
H7CBCALH1068.1°65.1°
H8CBCALH951.9°54.8°
H8CBCALH10171.8°174.8°
H9CALCAZH11148.2°174.4°
H10CALCAZH1191.9°65.7°
H11CAZCAMH1268.4°64.8°
H11CAZCAMH13172.5°175.3°
H11CAZCANH18178.7°65.0°
H11CAZCANH1962.8°175.0°
H12CAMNARH1490.7°124.9°
H13CAMNARH14150.1°115.2°
H18CANCBCH2076.2°172.7°
H19CANCBCH20165.3°67.2°
H20CBCCBAH21117.7°146.3°
H21CBAOAGH2259.1°57.3°
H21CBACBBH2329.2°0.0°
H23CBBOAHH2456.4°61.2°
H23CBBCBDH25166.0°146.5°

223532

PDB entries from 2024-08-07

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