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LSS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1doub1.21Å1.23Å
C1N2sing1.35Å1.35Å
C1CAsing1.51Å1.52Å
N1C2doub1.32Å1.34ÅAromatic
N1C6sing1.33Å1.35ÅAromatic
S1N2sing1.66Å1.55Å
S1O5sing1.52Å1.53Å
S1O1Adoub1.42Å1.41Å
S1O2Adoub1.42Å1.44Å
C2N3sing1.32Å1.35ÅAromatic
O2C22sing1.43Å1.40Å
N3C4doub1.33Å1.35ÅAromatic
O3C23sing1.43Å1.42Å
C4C5sing1.40Å1.39ÅAromatic
C4N9sing1.37Å1.32ÅAromatic
N4CAsing1.47Å1.47Å
O4C21sing1.44Å1.40Å
O4C24sing1.44Å1.43Å
C5C6doub1.41Å1.47ÅAromatic
C5N7sing1.35Å1.35ÅAromatic
O5C25sing1.43Å1.42Å
C6N6sing1.38Å1.36Å
C7C9sing1.53Å1.53Å
C7C10sing1.53Å1.52Å
C7C11sing1.53Å1.53Å
N7C8doub1.30Å1.35ÅAromatic
C8N9sing1.36Å1.37ÅAromatic
C9CAsing1.53Å1.56Å
N9C21sing1.47Å1.46Å
C21C22sing1.55Å1.51Å
C22C23sing1.55Å1.51Å
C23C24sing1.54Å1.53Å
C24C25sing1.53Å1.52Å
C2H2sing1.08Å1.08Å
N2HN2sing0.97Å1.00Å
O2HO2sing0.97Å0.95Å
O3HO3sing0.97Å0.95Å
N4HN4sing1.01Å1.00Å
N4HN4Asing1.01Å1.00Å
N6HN6sing0.97Å1.00Å
N6HN6Asing0.97Å1.00Å
C7H7sing1.09Å1.10Å
C8H8sing1.08Å1.08Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
CAHAsing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C10H10Bsing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C11H11Bsing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1N2123.3°120.0°
O1C1CA119.0°120.0°
N2C1CA117.6°120.0°
C1N2S1122.2°120.0°
C1N2HN2118.9°120.0°
C1CAN4108.0°109.5°
C1CAC9109.9°109.5°
C1CAHA107.8°109.5°
C2N1C6119.8°121.2°
N1C2N3124.0°122.5°
N1C2H2118.0°118.8°
N1C6C5118.2°118.4°
N1C6N6122.3°120.8°
N2S1O5113.1°107.2°
N2S1O1A110.7°106.4°
N2S1O2A107.3°106.4°
S1N2HN2118.9°119.9°
O5S1O1A102.6°106.4°
O5S1O2A108.6°106.4°
S1O5C25118.5°114.0°
O1AS1O2A114.7°123.2°
C2N3C4119.4°120.6°
N3C2H2118.0°118.8°
O2C22C21112.5°110.9°
O2C22C23115.6°110.9°
C22O2HO2109.5°114.0°
O2C22H22109.1°110.8°
N3C4C5120.3°119.1°
N3C4N9133.1°134.9°
O3C23C22110.3°110.5°
O3C23C24111.3°110.5°
C23O3HO3109.5°114.0°
O3C23H23112.5°110.4°
C5C4N9106.6°106.0°
C4C5C6118.1°118.2°
C4C5N7109.6°107.1°
C4N9C8108.7°107.4°
C4N9C21124.5°126.3°
N4CAC9115.3°109.4°
CAN4HN4109.5°110.9°
CAN4HN4A109.5°111.0°
N4CAHA108.3°109.5°
C21O4C24109.6°107.0°
O4C21N9113.5°110.6°
O4C21C22102.7°103.5°
O4C21H21110.9°110.6°
O4C24C23107.8°107.2°
O4C24C25110.4°109.9°
O4C24H24109.4°109.8°
C6C5N7132.3°134.7°
C5C6N6119.5°120.8°
C5N7C8106.3°109.5°
O5C25C24109.1°109.4°
O5C25H25109.6°109.5°
O5C25H25A109.6°109.4°
C6N6HN6109.5°120.0°
C6N6HN6A109.4°120.0°
C9C7C10110.4°109.4°
C9C7C11112.0°109.5°
C7C9CA116.5°109.5°
C9C7H7109.0°109.5°
C7C9H9107.7°109.4°
C7C9H9A107.7°109.5°
C10C7C11107.2°109.5°
C10C7H7109.2°109.4°
C7C10H10109.5°109.5°
C7C10H10A109.5°109.5°
C7C10H10B109.5°109.5°
C11C7H7109.0°109.5°
C7C11H11109.5°109.5°
C7C11H11A109.5°109.5°
C7C11H11B109.5°109.5°
N7C8N9108.9°109.9°
N7C8H8125.5°125.1°
C8N9C21126.8°126.3°
N9C8H8125.6°125.0°
CAC9H9107.7°109.5°
CAC9H9A107.7°109.5°
C9CAHA107.3°109.5°
N9C21C22110.3°110.6°
N9C21H21109.9°110.5°
C21C22C23103.8°102.1°
C22C21H21109.3°110.7°
C21C22H22107.7°110.9°
C22C23C2499.9°104.2°
C23C22H22107.7°111.0°
C22C23H23111.2°110.5°
C23C24C25112.9°109.9°
C24C23H23110.9°110.6°
C23C24H24108.1°109.9°
C25C24H24108.1°110.0°
C24C25H25109.5°109.5°
C24C25H25A109.6°109.4°
HN4N4HN4A109.5°111.0°
HN6N6HN6A109.5°120.0°
H9C9H9A109.5°109.5°
H10C10H10A109.5°109.4°
H10C10H10B109.5°109.5°
H10AC10H10B109.5°109.5°
H11C11H11A109.5°109.5°
H11C11H11B109.5°109.4°
H11AC11H11B109.5°109.5°
H25C25H25A109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1N2CA176.2°179.7°
O1C1N2S10.2°0.1°
O1C1CAN4171.3°19.9°
O1C1CAC962.2°100.0°
O1C1N2HN2179.8°180.0°
O1C1CAHA54.5°140.0°
C1N2S1HN2180.0°179.9°
C1N2S1O558.1°65.0°
C1N2S1O1A56.4°178.5°
C1N2S1O2A177.8°48.5°
N2C1CAN45.1°159.7°
N2C1CAC9121.5°80.3°
N2C1CAHA121.9°39.7°
CAC1N2S1176.0°179.7°
C1CAN4C9123.3°120.0°
C1CAN4HA116.5°120.1°
C1CAC9C7173.8°175.5°
C1CAC9HA116.9°120.1°
CAC1N2HN24.0°0.4°
C1CAN4HN4180.0°64.0°
C1CAN4HN4A60.0°59.9°
C1CAC9H952.8°55.6°
C1CAC9H9A65.2°64.4°
N1C2N3H2180.0°179.9°
N1C2N3C43.8°0.0°
C2N1C6C51.9°0.1°
C2N1C6N6178.0°179.9°
C6N1C2N30.6°0.1°
N1C6C5C41.2°0.0°
N1C6C5N6179.9°180.0°
N1C6C5N7179.1°179.9°
C6N1C2H2179.4°180.0°
N1C6N6HN60.0°0.0°
N1C6N6HN6A120.0°180.0°
N2S1O5O1A119.2°113.6°
N2S1O5O2A119.0°113.5°
N2S1O1AO2A121.5°123.0°
N2S1O5C2551.9°75.0°
O5S1O1AO2A117.6°122.9°
S1O5C25C24169.0°180.0°
O5S1N2HN2121.9°115.1°
S1O5C25H2549.1°60.0°
S1O5C25H25A71.0°60.1°
O1AS1O5C25171.2°38.6°
O1AS1N2HN2123.6°1.5°
O2AS1O5C2567.1°171.5°
O2AS1N2HN22.2°131.4°
C2N3C4C54.3°0.0°
C2N3C4N9178.0°179.9°
O2C22C23O341.5°20.3°
O2C22C21O4166.1°155.2°
O2C22C21N972.7°86.3°
O2C22C21C23125.6°118.2°
O2C22C21H22120.3°123.5°
O2C22C23H22122.3°123.6°
O2C22C23C24158.8°139.1°
O2C22C21H2148.3°36.7°
O2C22C23H2384.1°102.1°
N3C4C5N9178.2°180.0°
N3C4C5C61.9°0.0°
N3C4C5N7177.9°180.0°
N3C4N9C8177.6°179.9°
N3C4N9C213.4°0.0°
C4N3C2H2176.2°180.0°
O3C23C24O497.9°120.7°
O3C23C22C2182.2°97.8°
O3C23C22C24117.3°118.7°
O3C23C22H23125.6°122.4°
O3C23C24H23126.1°122.5°
O3C23C24C25139.8°119.9°
O3C23C22H22163.8°144.0°
O3C23C24H2420.3°1.4°
C4C5C6N7179.7°179.9°
C4C5C6N6178.7°180.0°
C4C5N7C80.2°0.0°
C5C4N9C80.3°0.0°
C5C4N9C21178.7°180.0°
C4N9C21O4118.0°156.5°
N9C4C5C6179.9°179.9°
N9C4C5N70.4°0.0°
C4N9C8N70.2°0.0°
C4N9C8C21179.0°180.0°
C4N9C21C22127.4°89.5°
C4N9C8H8179.8°179.9°
C4N9C21H216.8°33.6°
N4CAC9C763.9°64.5°
N4CAC9HA120.8°120.0°
CAN4HN4HN4A120.0°123.9°
N4CAC9H9175.1°175.5°
N4CAC9H9A57.1°55.5°
O4C21N9C863.1°23.5°
O4C21N9C22114.6°114.1°
O4C21N9H21124.8°122.9°
O4C21C22H21117.7°118.6°
O4C21C22C2340.4°37.0°
C21O4C24C236.4°26.5°
C21O4C24C25130.2°145.9°
O4C21C22H2273.6°81.2°
C21O4C24H24110.9°92.9°
O4C24C25O560.9°66.5°
C24O4C21N9147.8°158.6°
C24O4C21C2228.8°40.1°
O4C24C23C2218.6°2.0°
O4C24C23C25122.2°119.4°
O4C24C23H24118.2°119.4°
O4C24C25H24119.7°121.1°
C24O4C21H2187.9°78.6°
O4C24C23H23135.9°116.7°
O4C24C25H25179.2°53.5°
O4C24C25H25A59.1°173.6°
C6C5N7C8180.0°179.9°
C5C6N6HN6179.9°180.0°
C5C6N6HN6A59.9°0.1°
N7C5C6N61.0°0.1°
C5N7C8N90.0°0.0°
C5N7C8H8180.0°179.9°
O5C25C24C2359.9°175.7°
O5C25C24H25119.9°120.1°
O5C25C24H25A120.0°119.9°
O5C25C24H24179.4°54.5°
O5C25H25H25A120.2°120.0°
C6N6HN6HN6A120.0°180.0°
C9C7C10C11122.3°120.0°
C9C7C10H7119.8°120.0°
C9C7C11H7120.7°120.1°
C7C9CAH9121.0°119.9°
C7C9CAH9A121.0°120.1°
C7C9H9H9A116.8°120.0°
C7C9CAHA56.9°55.4°
C9C7C10H10180.0°59.6°
C9C7C10H10A60.0°179.5°
C9C7C10H10B60.0°60.4°
C9C7C11H11180.0°60.0°
C9C7C11H11A60.0°180.0°
C9C7C11H11B60.0°59.9°
C10C7C11H7118.0°120.0°
C10C7C9CA171.3°174.1°
C10C7C9H967.7°65.9°
C10C7C9H9A50.3°54.1°
C7C10H10H10A120.0°119.9°
C7C10H10H10B120.0°120.1°
C7C10H10AH10B120.0°120.1°
C10C7C11H1158.7°180.0°
C10C7C11H11A61.3°60.0°
C10C7C11H11B178.7°60.0°
C11C7C9CA69.3°65.8°
C11C7C9H951.7°54.1°
C11C7C9H9A169.7°174.1°
C11C7C10H1057.7°60.4°
C11C7C10H10A177.7°59.5°
C11C7C10H10B62.3°179.5°
C7C11H11H11A120.0°120.0°
C7C11H11H11B120.0°120.0°
C7C11H11AH11B120.0°120.0°
N7C8N9H8180.0°179.9°
N7C8N9C21178.8°180.0°
C8N9C21C2251.5°90.6°
C8N9C21H21172.1°146.4°
C9CAN4HN456.7°176.1°
C9CAN4HN4A176.7°60.0°
CAC9C7H751.3°54.2°
CAC9H9H9A116.8°120.0°
N9C21C22H21121.0°122.9°
N9C21C22C23161.7°155.5°
C21N9C8H81.2°0.2°
N9C21C22H2247.6°37.3°
C21C22C23H22114.0°118.2°
C21C22C23C2435.1°20.9°
C21C22O2HO2180.0°179.9°
C21C22C23H23152.3°139.7°
C22C23C24H23117.3°118.8°
C22C23C24C25103.6°121.4°
C23C22O2HO261.0°67.4°
C22C23O3HO3180.0°61.4°
C23C22C21H2177.3°81.6°
C22C23C24H24136.8°117.3°
C23C24C25H24119.5°121.2°
C24C23O3HO370.0°176.2°
C24C23C22H2278.9°97.3°
C23C24C25H2560.1°64.2°
C23C24C25H25A179.8°55.8°
C25C24C23H2313.7°2.7°
C24C25H25H25A120.2°120.0°
HO2O2C22H2260.5°56.3°
HO3O3C23H2355.2°61.1°
HN4N4CAHA63.5°56.1°
HN4AN4CAHA56.5°180.0°
H7C7C9H9172.3°174.2°
H7C7C9H9A69.7°65.8°
H7C7C10H1060.2°179.6°
H7C7C10H10A59.8°60.5°
H7C7C10H10B179.8°59.5°
H7C7C11H1159.3°60.1°
H7C7C11H11A179.3°59.9°
H7C7C11H11B60.7°NaN°
H9C9CAHA64.1°64.5°
H9AC9CAHA177.9°175.5°
H10C10H10AH10B120.0°120.0°
H11C11H11AH11B120.0°119.9°
H21C21C22H22168.6°160.2°
H22C22C23H2338.2°21.5°
H23C23C24H24105.9°123.9°
H24C24C25H2559.5°174.6°
H24C24C25H25A60.6°65.4°

225158

PDB entries from 2024-09-18

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