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SummaryGeometryPCM/PTMRelated PDB entries

A1JDI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C02C01doub1.38Å1.40ÅAromatic
C02C03sing1.40Å1.40ÅAromatic
C01C06sing1.38Å1.39ÅAromatic
C03C04doub1.39Å1.40ÅAromatic
C06F12sing1.35Å1.25Å
C06C05doub1.39Å1.40ÅAromatic
C04C05sing1.42Å1.40ÅAromatic
C04O08sing1.36Å1.39Å
C05C07sing1.51Å1.49Å
O08B09sing1.43Å1.41Å
C07C15sing1.54Å1.53Å
C07C10sing1.54Å1.55Å
C15C16sing1.47Å1.53Å
C15C14sing1.54Å1.53Å
O11B09sing1.42Å1.42Å
B09C10sing1.58Å1.46Å
C10C14sing1.54Å1.53Å
C16N17trip1.14Å1.17Å
C10H101sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C01H011sing1.08Å1.08Å
C02H021sing1.08Å1.08Å
C03H031sing1.08Å1.08Å
C07H071sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
O11H111sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02C03119.6°121.2°
C02C01C06120.2°119.9°
C02C01H011119.9°120.0°
C01C02H021120.2°120.1°
C02C03C04120.7°119.1°
C03C02H021120.2°118.7°
C02C03H031119.6°119.7°
C01C06F12120.5°119.6°
C01C06C05120.0°120.7°
C06C01H011119.9°120.0°
C03C04C05119.3°119.7°
C03C04O08121.4°117.1°
C04C03H031119.7°121.2°
F12C06C05119.5°119.7°
C06C05C04120.2°119.3°
C06C05C07117.6°118.3°
C05C04O08119.3°123.1°
C04C05C07122.3°122.4°
C04O08B09123.4°114.0°
C05C07C15109.1°113.4°
C05C07C10110.3°114.2°
C05C07H071114.2°112.5°
O08B09O11109.0°122.0°
O08B09C10108.4°116.1°
C15C07C1095.0°87.7°
C07C15C16113.7°113.5°
C07C15C1484.8°87.4°
C07C15H151117.0°113.6°
C15C07H071113.5°113.3°
C07C10B09121.2°111.2°
C07C10C1484.0°87.3°
C07C10H101105.5°115.0°
C10C07H071113.1°113.6°
C16C15C14102.1°113.6°
C15C16N17179.2°180.0°
C16C15H151117.0°112.9°
C15C14C1095.9°87.6°
C14C15H151117.0°113.5°
C15C14H141112.7°113.5°
C15C14H142112.8°113.5°
O11B09C10106.7°121.9°
B09O11H111109.5°113.9°
B09C10C14130.6°111.6°
B09C10H101106.5°114.0°
C14C10H101105.7°115.0°
C10C14H141112.8°113.5°
C10C14H142112.7°113.5°
H141C14H142109.5°112.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02C03H021180.0°180.0°
C02C01C06H011180.0°179.9°
C01C02C03C040.2°0.1°
C02C01C06F12180.0°180.0°
C02C01C06C050.1°0.1°
C01C02C03H031179.8°180.0°
C03C02C01C060.0°0.3°
C02C03C04H031180.0°179.9°
C02C03C04C050.5°0.3°
C02C03C04O08179.7°179.2°
C03C02C01H011180.0°179.8°
C01C06F12C05179.9°179.9°
C01C06C05C040.4°0.3°
C01C06C05C07179.4°179.5°
C06C01C02H021180.0°179.8°
C03C04C05C060.6°0.4°
C03C04C05O08179.2°179.4°
C03C04C05C07179.2°179.3°
C03C04O08B09156.9°154.3°
C04C03C02H021179.8°180.0°
F12C06C05C04179.7°179.7°
F12C06C05C070.5°0.5°
F12C06C01H0110.0°0.1°
C06C05C04C07179.9°179.8°
C06C05C04O08179.8°179.0°
C06C05C07C1575.0°81.7°
C06C05C07C10178.2°179.9°
C05C06C01H011179.9°180.0°
C06C05C07H07153.1°48.5°
C05C04O08B0922.2°26.2°
C04C05C07C15105.1°98.6°
C04C05C07C102.0°0.1°
C05C04C03H031179.5°179.7°
C04C05C07H071126.7°131.2°
O08C04C05C070.1°1.2°
C04O08B09O1173.7°130.3°
C04O08B09C1042.0°49.6°
O08C04C03H0310.3°0.9°
C05C07C15C10113.6°115.5°
C05C07C15H071128.5°129.8°
C05C07C10H071129.3°130.8°
C05C07C15C16148.9°153.6°
C05C07C15C14110.1°91.8°
C05C07C10B0925.5°21.1°
C05C07C10C14109.1°91.0°
C05C07C10H101146.3°152.6°
C05C07C15H1517.7°22.9°
O08B09C10C0743.5°47.2°
O08B09O11C10116.8°180.0°
O08B09C10C1467.5°48.5°
O08B09C10H101163.8°179.2°
O08B09O11H1110.0°0.1°
C15C07C10H071118.2°114.4°
C07C15C16C1489.6°97.8°
C07C15C16H151141.3°131.1°
C07C15C14H151117.8°114.7°
C15C07C10B09138.0°135.9°
C15C07C10C143.4°23.7°
C07C15C16N1741.8°111.4°
C15C07C10H101101.2°92.7°
C07C15C14H141121.2°91.0°
C07C15C14H142114.2°138.3°
C10C07C15C1697.5°90.9°
C07C10B09O1173.7°132.7°
C07C10B09C14110.9°95.7°
C07C10B09H101120.3°132.0°
C07C10C14H101104.4°116.4°
C10C07C15H151121.2°138.3°
C07C10C14H141121.2°91.0°
C07C10C14H142114.3°138.3°
C16C15C14H151129.0°130.7°
C16C15C14C10109.7°90.9°
C16C15C07H07120.4°23.8°
C16C15C14H1418.0°154.4°
C16C15C14H142132.6°23.8°
C15C14C10B09129.9°135.4°
C15C14C10H141117.7°114.6°
C15C14C10H142117.7°114.6°
C14C15C16N17131.5°13.6°
C15C14C10H101101.0°92.8°
C14C15C07H071121.4°138.4°
C15C14H141H142126.4°131.0°
O11B09C10C14175.3°131.6°
O11B09C10H10146.6°0.8°
B09C10C14H101129.1°131.8°
B09C10C07H071103.8°109.7°
B09C10C14H141112.3°20.8°
B09C10C14H14212.2°109.9°
C10B09O11H111116.8°180.0°
C10C14C15H151121.3°138.4°
C14C10C07H071121.6°138.1°
C10C14H141H142126.3°131.0°
N17C16C15H15199.5°117.5°
H101C10C07H07117.0°21.7°
H101C10C14H14116.7°152.6°
H101C10C14H142141.3°21.9°
H151C15C07H071120.8°107.0°
H151C15C14H141121.0°23.7°
H151C15C14H1423.6°107.0°
H011C01C02H0210.0°0.1°
H021C02C03H0310.2°0.0°

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PDB entries from 2026-04-01

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