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IVN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCdoub1.21Å1.25Å
NABC2sing1.38Å1.33Å
CD1CE1doub1.38Å1.39ÅAromatic
CD1CGsing1.38Å1.39ÅAromatic
CE1CZsing1.39Å1.39ÅAromatic
CBCGsing1.51Å1.40Å
CBCAsing1.53Å1.53Å
N3C2doub1.32Å1.34ÅAromatic
N3C4sing1.33Å1.34ÅAromatic
CGCD2doub1.38Å1.39ÅAromatic
CCAsing1.51Å1.53Å
COXTsing1.34Å1.25Å
C2N1sing1.32Å1.34ÅAromatic
CZC4sing1.48Å1.39Å
CZCE2doub1.39Å1.39ÅAromatic
CANsing1.47Å1.47Å
C4C5doub1.39Å1.39ÅAromatic
CD2CE2sing1.38Å1.39ÅAromatic
N1C6doub1.33Å1.34ÅAromatic
CAQCAKdoub1.35Å1.33ÅAromatic
CAQNBKsing1.35Å1.34ÅAromatic
C5C6sing1.39Å1.39ÅAromatic
CAKCAZsing1.40Å1.32ÅAromatic
C6OAXsing1.35Å1.36Å
NBKCBHsing1.40Å1.34Å
NBKNAWsing1.40Å1.23ÅAromatic
CARCBHdoub1.39Å1.39ÅAromatic
CARCBBsing1.38Å1.39ÅAromatic
CL1CBBsing1.74Å1.72Å
CBHCBGsing1.39Å1.40ÅAromatic
CBBCAJdoub1.38Å1.39ÅAromatic
CAZNAWdoub1.31Å1.33ÅAromatic
CAZCAAsing1.51Å1.53Å
CBGCBJsing1.51Å1.40Å
CBGCAPdoub1.38Å1.39ÅAromatic
CAJCAPsing1.38Å1.39ÅAromatic
OAXCBJsing1.43Å1.44Å
CBJCBLsing1.53Å1.54Å
CBLF2sing1.40Å1.35Å
CBLF1sing1.40Å1.33Å
CBLF3sing1.40Å1.33Å
C5H1sing1.08Å1.08Å
OXTH2sing0.97Å0.95Å
CAH3sing1.09Å1.10Å
NH4sing1.01Å1.00Å
NH5sing1.01Å1.00Å
CBH7sing1.09Å1.10Å
CBH8sing1.09Å1.10Å
CD2H9sing1.08Å1.08Å
CE2H10sing1.08Å1.08Å
CD1H11sing1.08Å1.08Å
CE1H12sing1.08Å1.08Å
NABH13sing0.97Å1.00Å
NABH14sing0.97Å1.00Å
CBJH15sing1.09Å1.10Å
CAPH16sing1.08Å1.08Å
CAJH17sing1.08Å1.08Å
CARH18sing1.08Å1.08Å
CAAH19sing1.09Å1.10Å
CAAH20sing1.09Å1.10Å
CAAH21sing1.09Å1.10Å
CAKH22sing1.08Å1.08Å
CAQH23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCCA116.9°120.0°
OCOXT126.1°120.0°
NABC2N3119.7°119.1°
NABC2N1119.5°119.1°
C2NABH13109.5°120.1°
C2NABH14109.5°120.0°
CE1CD1CG120.5°120.1°
CD1CE1CZ120.1°119.9°
CE1CD1H11119.7°119.9°
CD1CE1H12119.9°120.1°
CD1CGCB118.7°119.8°
CD1CGCD2119.6°120.3°
CGCD1H11119.7°119.9°
CE1CZC4118.6°120.2°
CE1CZCE2119.7°119.7°
CZCE1H12120.0°120.0°
CGCBCA112.3°109.5°
CBCGCD2121.7°119.9°
CGCBH7108.8°109.5°
CGCBH8108.8°109.5°
CBCAC108.7°109.5°
CBCAN111.6°109.5°
CBCAH3108.8°109.5°
CACBH7108.8°109.4°
CACBH8108.8°109.5°
C2N3C4121.1°120.7°
N3C2N1120.8°121.8°
N3C4CZ118.4°120.4°
N3C4C5119.4°119.1°
CGCD2CE2120.0°120.1°
CGCD2H9120.0°119.9°
CACOXT117.0°120.0°
CCAN109.4°109.5°
CCAH3108.8°109.4°
COXTH2109.5°117.0°
C2N1C6120.7°120.9°
C4CZCE2121.7°120.1°
CZC4C5122.1°120.5°
CZCE2CD2120.2°119.9°
CZCE2H10119.9°120.0°
NCAH3109.6°109.5°
CANH4109.5°111.0°
CANH5109.5°111.0°
C4C5C6118.4°118.4°
C4C5H1120.8°120.8°
CE2CD2H9120.0°119.9°
CD2CE2H10119.9°120.1°
N1C6C5119.6°119.1°
N1C6OAX120.1°120.4°
CAKCAQNBK108.4°107.7°
CAQCAKCAZ104.4°107.9°
CAQCAKH22127.8°126.0°
CAKCAQH23125.8°126.1°
CAQNBKCBH129.0°126.0°
CAQNBKNAW108.8°107.9°
NBKCAQH23125.8°126.1°
C5C6OAX120.3°120.5°
C6C5H1120.8°120.8°
CAKCAZNAW109.3°108.2°
CAKCAZCAA125.5°125.8°
CAZCAKH22127.8°126.0°
C6OAXCBJ112.7°117.0°
CBHNBKNAW122.2°126.0°
NBKCBHCAR117.4°120.1°
NBKCBHCBG123.5°120.0°
NBKNAWCAZ109.0°108.2°
CBHCARCBB121.0°119.9°
CARCBHCBG119.1°119.9°
CBHCARH18119.5°120.1°
CARCBBCL1120.2°120.0°
CARCBBCAJ120.0°120.0°
CBBCARH18119.5°120.0°
CL1CBBCAJ119.8°120.0°
CBHCBGCBJ122.9°120.0°
CBHCBGCAP119.4°120.0°
CBBCAJCAP119.4°120.1°
CBBCAJH17120.3°120.0°
NAWCAZCAA125.2°125.9°
CAZCAAH19109.5°109.5°
CAZCAAH20109.4°109.5°
CAZCAAH21109.5°109.4°
CBJCBGCAP117.6°120.0°
CBGCBJOAX109.0°109.5°
CBGCBJCBL110.5°109.5°
CBGCBJH15110.1°109.5°
CBGCAPCAJ121.1°120.1°
CBGCAPH16119.4°120.0°
CAJCAPH16119.5°119.9°
CAPCAJH17120.3°119.9°
OAXCBJCBL109.5°109.4°
OAXCBJH15109.5°109.5°
CBJCBLF2110.3°109.5°
CBJCBLF1109.5°109.5°
CBJCBLF3109.6°109.5°
CBLCBJH15108.2°109.4°
F2CBLF1108.9°109.5°
F2CBLF3109.1°109.5°
F1CBLF3109.4°109.5°
H4NH5109.5°111.0°
H7CBH8109.5°109.4°
H13NABH14109.5°120.0°
H19CAAH20109.4°109.5°
H19CAAH21109.5°109.5°
H20CAAH21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCCACB24.5°100.0°
OCCAOXT180.0°179.9°
OCCAN97.5°20.0°
OCOXTH20.0°0.0°
OCCAH3142.8°140.0°
NABC2N3N1180.0°180.0°
NABC2N3C4179.9°180.0°
NABC2N1C6180.0°180.0°
C2NABH13H14120.0°179.9°
CE1CD1CGH11180.0°179.9°
CD1CE1CZH12180.0°179.9°
CE1CD1CGCB179.4°180.0°
CE1CD1CGCD20.4°0.2°
CD1CE1CZC4179.6°180.0°
CD1CE1CZCE20.3°0.3°
CGCD1CE1CZ0.0°0.0°
CD1CGCBCD2179.0°179.8°
CD1CGCBCA122.9°90.3°
CD1CGCD2CE20.5°0.2°
CD1CGCBH72.5°149.7°
CD1CGCBH8116.7°29.8°
CD1CGCD2H9179.5°179.7°
CGCD1CE1H12180.0°180.0°
CE1CZC4N316.5°0.3°
CE1CZC4CE2179.3°179.7°
CE1CZC4C5164.1°180.0°
CE1CZCE2CD20.2°0.3°
CE1CZCE2H10179.8°179.8°
CZCE1CD1H11180.0°180.0°
CGCBCAH7120.4°120.0°
CGCBCAH8120.4°120.0°
CGCBCAC170.5°175.0°
CGCBCAN49.9°65.0°
CBCGCD2CE2179.5°180.0°
CGCBCAH371.2°55.0°
CGCBH7H8118.7°120.0°
CBCGCD2H90.5°0.0°
CBCGCD1H110.6°0.1°
CACBCGCD258.1°90.0°
CBCACN122.0°120.0°
CBCACH3118.3°120.0°
CBCACOXT155.5°80.0°
CBCANH3120.6°120.0°
CBCANH4180.0°60.0°
CBCANH560.0°176.0°
CACBH7H8118.7°120.0°
C2N3C4CZ179.7°179.7°
C2N3C4C50.3°0.0°
N3C2N1C60.0°0.0°
N3C2NABH130.0°0.0°
N3C2NABH14120.0°180.0°
C4N3C2N10.1°0.0°
N3C4CZC5179.4°179.7°
N3C4CZCE2162.8°179.4°
N3C4C5C60.4°0.0°
N3C4C5H1179.6°180.0°
CGCD2CE2CZ0.2°0.1°
CGCD2CE2H9180.0°179.9°
CD2CGCBH7178.5°30.0°
CD2CGCBH862.4°150.0°
CGCD2CE2H10179.8°180.0°
CD2CGCD1H11179.6°179.7°
CCANH3119.1°120.0°
CACOXTH2180.0°179.9°
CCANH459.7°60.0°
CCANH5179.7°64.0°
CCACBH750.1°55.0°
CCACBH869.0°65.0°
OXTCCAN82.5°160.0°
OXTCCAH337.2°40.0°
C2N1C6C50.1°0.0°
C2N1C6OAX179.8°179.9°
N1C2NABH13180.0°180.0°
N1C2NABH1460.0°0.0°
C4CZCE2CD2179.5°180.0°
CZC4C5C6179.8°179.7°
CZC4C5H10.2°0.4°
C4CZCE2H100.5°0.1°
C4CZCE1H120.4°0.0°
CE2CZC4C516.6°0.3°
CZCE2CD2H10180.0°179.9°
CZCE2CD2H9179.8°180.0°
CE2CZCE1H12179.7°179.7°
CANH4H5120.0°124.0°
NCACBH770.6°175.0°
NCACBH8170.3°55.0°
C4C5C6N10.3°0.0°
C4C5C6H1180.0°179.9°
C4C5C6OAX179.7°179.9°
N1C6C5OAX179.9°179.9°
N1C6OAXCBJ12.3°0.1°
N1C6C5H1179.7°179.9°
CAKCAQNBKH23180.0°179.7°
CAQCAKCAZH22180.0°179.8°
CAKCAQNBKCBH179.6°179.8°
CAKCAQNBKNAW0.6°0.4°
CAQCAKCAZNAW0.0°0.3°
CAQCAKCAZCAA179.9°179.8°
NBKCAQCAKCAZ0.3°0.4°
CAQNBKCBHNAW178.9°179.8°
CAQNBKCBHCAR116.3°49.2°
CAQNBKCBHCBG65.2°130.3°
CAQNBKNAWCAZ0.6°0.2°
NBKCAQCAKH22179.6°179.9°
C5C6OAXCBJ167.6°180.0°
CAKCAZNAWNBK0.4°0.0°
CAKCAZNAWCAA179.9°179.9°
CAKCAZCAAH19179.8°90.1°
CAKCAZCAAH2059.8°30.0°
CAKCAZCAAH2160.1°150.0°
CAZCAKCAQH23179.7°179.9°
C6OAXCBJCBG100.3°150.0°
C6OAXCBJCBL138.7°90.0°
OAXC6C5H10.4°0.0°
C6OAXCBJH1520.2°29.9°
NBKCBHCARCBG178.6°179.5°
NBKCBHCARCBB179.5°180.0°
CBHNBKNAWCAZ179.7°180.0°
NBKCBHCBGCBJ1.0°0.3°
NBKCBHCBGCAP179.3°179.9°
NBKCBHCARH180.5°0.5°
CBHNBKCAQH230.4°0.1°
NAWNBKCBHCAR62.6°131.0°
NAWNBKCBHCBG116.0°49.5°
NBKNAWCAZCAA179.7°180.0°
NAWNBKCAQH23179.4°179.9°
CBHCARCBBH18180.0°179.5°
CBHCARCBBCL1179.6°179.7°
CBHCARCBBCAJ0.6°0.2°
CARCBHCBGCBJ179.6°179.8°
CARCBHCBGCAP0.8°0.6°
CARCBBCL1CAJ179.8°179.9°
CBBCARCBHCBG0.9°0.5°
CARCBBCAJCAP0.2°0.1°
CARCBBCAJH17179.8°179.9°
CL1CBBCAJCAP180.0°180.0°
CL1CBBCAJH170.0°0.0°
CL1CBBCARH180.4°0.2°
CBHCBGCBJCAP179.7°179.6°
CBHCBGCAPCAJ0.4°0.4°
CBHCBGCBJOAX159.8°153.8°
CBHCBGCBJCBL79.9°86.2°
CBHCBGCBJH1539.6°33.8°
CBHCBGCAPH16179.6°179.8°
CBGCBHCARH18179.1°180.0°
CBBCAJCAPCBG0.1°0.0°
CBBCAJCAPH17180.0°180.0°
CBBCAJCAPH16179.8°179.9°
CAJCBBCARH18179.4°179.7°
NAWCAZCAAH190.0°90.0°
NAWCAZCAAH20120.0°150.0°
NAWCAZCAAH21120.0°30.0°
NAWCAZCAKH22180.0°180.0°
CAZCAAH19H20120.0°120.0°
CAZCAAH19H21120.0°120.0°
CAZCAAH20H21120.0°120.0°
CAACAZCAKH220.2°0.0°
CBJCBGCAPCAJ179.9°180.0°
CBGCBJOAXCBL120.9°120.0°
CBGCBJOAXH15120.5°120.1°
CBGCBJCBLH15120.6°120.0°
CBGCBJCBLF265.7°60.0°
CBGCBJCBLF1174.4°60.0°
CBGCBJCBLF354.4°180.0°
CBJCBGCAPH160.1°0.1°
CBGCAPCAJH16180.0°179.9°
CAPCBGCBJOAX19.9°25.8°
CAPCBGCBJCBL100.5°94.2°
CAPCBGCBJH15140.1°145.9°
CBGCAPCAJH17179.9°180.0°
OAXCBJCBLH15119.3°120.0°
OAXCBJCBLF2174.2°60.0°
OAXCBJCBLF154.3°180.0°
OAXCBJCBLF365.6°60.0°
CBJCBLF2F1120.2°120.0°
CBJCBLF2F3120.5°120.0°
CBJCBLF1F3120.1°120.0°
F2CBLF1F3119.1°120.0°
F2CBLCBJH1554.9°180.0°
F1CBLCBJH1565.0°60.0°
F3CBLCBJH15175.0°60.0°
H3CANH459.4°179.9°
H3CANH560.6°56.0°
H3CACBH7168.4°65.0°
H3CACBH849.2°175.0°
H9CD2CE2H100.2°0.1°
H11CD1CE1H120.0°0.1°
H16CAPCAJH170.2°0.1°
H19CAAH20H21120.0°120.0°
H22CAKCAQH230.4°0.1°

222415

PDB entries from 2024-07-10

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