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SummaryGeometryRelated PDB entries

SML

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C32S33sing1.81Å1.79Å
C32H321sing1.09Å1.11Å
C32H322sing1.09Å1.11Å
C32H323sing1.09Å1.12Å
S33O34doub1.42Å1.48Å
S33O35doub1.42Å1.45Å
S33C36sing1.76Å1.77Å
C36C37doub1.38Å1.40ÅAromatic
C36C41sing1.38Å1.41ÅAromatic
C37C38sing1.38Å1.39ÅAromatic
C37H371sing1.08Å1.10Å
C38C39doub1.38Å1.38ÅAromatic
C38H381sing1.08Å1.10Å
C39C40sing1.38Å1.39ÅAromatic
C39H391sing1.08Å1.10Å
C40C41doub1.38Å1.39ÅAromatic
C40H401sing1.08Å1.10Å
C41H411sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
S33C32H321105.6°109.5°
S33C32H322113.7°109.4°
S33C32H323113.7°109.4°
C32S33O34105.5°111.7°
C32S33O35107.1°111.6°
C32S33C36106.5°103.2°
H321C32H322113.7°109.5°
H321C32H323113.6°109.5°
H322C32H32396.7°109.5°
O34S33O35115.2°122.1°
O34S33C36109.3°102.8°
O35S33C36112.6°102.8°
S33C36C37121.1°120.0°
S33C36C41120.5°120.0°
C37C36C41118.4°120.0°
C36C37C38120.0°120.0°
C36C37H371120.3°120.0°
C36C41C40121.3°120.0°
C36C41H411119.9°120.0°
C38C37H371119.7°120.0°
C37C38C39120.7°120.0°
C37C38H381119.9°120.0°
C39C38H381119.4°120.0°
C38C39C40120.5°120.0°
C38C39H391119.7°120.0°
C40C39H391119.9°120.0°
C39C40C41119.1°120.0°
C39C40H401120.2°120.0°
C41C40H401120.7°120.0°
C40C41H411118.8°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
S33C32H321H322125.3°120.0°
S33C32H321H323125.3°119.9°
S33C32H322H323119.6°119.9°
C32S33O34O35117.9°135.8°
C32S33O34C36114.2°110.0°
C32S33O35C36116.7°110.0°
C32S33C36C37132.8°90.1°
C32S33C36C4145.4°90.3°
H321C32H322H323119.5°120.0°
H321C32S33O34180.0°169.7°
H321C32S33O3556.8°49.8°
H321C32S33C3663.8°60.0°
H322C32S33O3454.7°70.3°
H322C32S33O3568.5°70.3°
H322C32S33C36170.8°180.0°
H323C32S33O3454.7°49.7°
H323C32S33O35178.0°169.7°
H323C32S33C3661.4°60.0°
O34S33O35C36126.2°114.2°
O34S33C36C3719.2°26.2°
O34S33C36C41158.9°153.5°
O35S33C36C37110.1°153.8°
O35S33C36C4171.7°25.9°
S33C36C37C41178.2°179.7°
S33C36C37C38177.3°180.0°
S33C36C37H3712.6°0.1°
S33C36C41C40177.5°179.8°
S33C36C41H4112.5°0.3°
C36C37C38H371180.0°180.0°
C36C37C38C390.3°0.0°
C36C37C38H381179.6°179.9°
C37C36C41C400.7°0.5°
C37C36C41H411179.4°179.9°
C41C36C37C380.8°0.3°
C41C36C37H371179.2°179.7°
C36C41C40C390.0°0.5°
C36C41C40H411180.0°179.5°
C36C41C40H401179.9°179.7°
C37C38C39H381180.0°179.9°
C37C38C39C400.3°0.0°
C37C38C39H391179.6°179.9°
H371C37C38C39179.7°180.0°
H371C37C38H3810.3°0.1°
C38C39C40H391180.0°179.9°
C38C39C40C410.5°0.2°
C38C39C40H401179.6°180.0°
H381C38C39C40179.7°180.0°
H381C38C39H3910.3°0.1°
C39C40C41H401180.0°179.8°
C39C40C41H411180.0°180.0°
H391C39C40C41179.5°179.9°
H391C39C40H4010.5°0.1°
H401C40C41H4110.0°0.2°

222415

PDB entries from 2024-07-10

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