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ALC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.47Å1.44Å
NHsing1.01Å1.02Å
NH2sing1.01Å1.02Å
CACsing1.51Å1.53Å
CACBsing1.53Å1.54Å
CAHAsing1.09Å1.12Å
COdoub1.21Å1.24Å
COXTsing1.34Å1.34Å
CBCGsing1.53Å1.58Å
CBHB2sing1.09Å1.11Å
CBHB3sing1.09Å1.12Å
CGCD2sing1.53Å1.55Å
CGCD1sing1.53Å1.56Å
CGHGsing1.09Å1.11Å
CD2CE2sing1.53Å1.54Å
CD2HD23sing1.09Å1.12Å
CD2HD22sing1.09Å1.12Å
CE2CZsing1.53Å1.54Å
CE2HE23sing1.09Å1.12Å
CE2HE22sing1.09Å1.12Å
CZCE1sing1.53Å1.54Å
CZHZ3sing1.09Å1.11Å
CZHZ2sing1.09Å1.11Å
CE1CD1sing1.53Å1.52Å
CE1HE13sing1.09Å1.11Å
CE1HE12sing1.09Å1.12Å
CD1HD12sing1.09Å1.12Å
CD1HD13sing1.09Å1.11Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANH114.5°106.7°
CANH2110.3°106.7°
NCAC114.5°109.4°
NCACB111.9°109.5°
NCAHA103.6°109.5°
HNH2110.4°106.6°
CCACB107.6°109.5°
CCAHA108.2°109.4°
CACO124.1°120.0°
CACOXT115.4°120.0°
CBCAHA111.0°109.4°
CACBCG111.6°109.5°
CACBHB2111.4°109.4°
CACBHB3111.4°109.5°
OCOXT120.5°120.0°
COXTHXT115.5°120.0°
CGCBHB2111.4°109.5°
CGCBHB3111.4°109.5°
CBCGCD2107.7°109.5°
CBCGCD1106.7°109.5°
CBCGHG111.5°109.4°
HB2CBHB399.0°109.4°
CD2CGCD1107.0°109.5°
CD2CGHG111.3°109.5°
CGCD2CE2111.9°109.5°
CGCD2HD23111.3°109.5°
CGCD2HD22111.3°109.5°
CD1CGHG112.3°109.4°
CGCD1CE1111.6°109.5°
CGCD1HD12111.4°109.4°
CGCD1HD13111.4°109.5°
CE2CD2HD23111.3°109.4°
CE2CD2HD22111.3°109.4°
CD2CE2CZ112.2°109.5°
CD2CE2HE23111.2°109.5°
CD2CE2HE22111.2°109.5°
HD23CD2HD2299.0°109.5°
CZCE2HE23111.3°109.5°
CZCE2HE22111.2°109.5°
CE2CZCE1112.3°109.4°
CE2CZHZ3111.1°109.5°
CE2CZHZ2111.2°109.4°
HE23CE2HE2299.2°109.4°
CE1CZHZ3111.1°109.6°
CE1CZHZ2111.1°109.5°
CZCE1CD1111.6°109.5°
CZCE1HE13111.4°109.5°
CZCE1HE12111.4°109.4°
HZ3CZHZ299.2°109.5°
CD1CE1HE13111.4°109.5°
CD1CE1HE12111.4°109.5°
CE1CD1HD12111.5°109.4°
CE1CD1HD13111.5°109.5°
HE13CE1HE1299.0°109.4°
HD12CD1HD1398.9°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANHH2125.3°113.7°
NCACCB125.1°120.0°
NCACHA114.9°120.0°
NCACBHA115.2°120.0°
NCACO48.9°30.0°
NCACOXT131.3°150.0°
NCACBCG81.1°60.0°
NCACBHB244.2°60.1°
NCACBHB3153.7°180.0°
HNCAC180.0°60.0°
HNCACB57.2°60.0°
HNCAHA62.4°180.0°
H2NCAC54.7°173.7°
H2NCACB68.1°53.7°
H2NCAHA172.3°66.3°
CCACBHA118.2°120.0°
CACOOXT179.8°179.9°
CCACBCG152.3°180.0°
CCACBHB282.4°59.9°
CCACBHB327.0°60.0°
CACOXTHXT180.0°180.0°
CBCACO76.2°90.0°
CBCACOXT103.6°90.0°
CACBCGHB2125.2°120.0°
CACBCGHB3125.2°120.0°
CACBHB2HB3117.3°119.9°
CACBCGCD2160.5°180.0°
CACBCGCD184.9°59.9°
CACBCGHG38.1°60.0°
HACACO163.8°150.0°
HACACOXT16.4°30.0°
HACACBCG34.1°60.0°
HACACBHB2159.4°179.9°
HACACBHB391.2°60.0°
OCOXTHXT0.2°0.1°
CGCBHB2HB3117.3°120.0°
CBCGCD2CD1114.4°120.1°
CBCGCD2HG122.6°119.9°
CBCGCD1HG122.5°119.9°
CBCGCD2CE2173.3°180.0°
CBCGCD2HD2348.0°60.0°
CBCGCD2HD2261.4°60.1°
CBCGCD1CE1175.7°180.0°
CBCGCD1HD1259.0°60.1°
CBCGCD1HD1350.4°59.9°
HB2CBCGCD274.2°59.9°
HB2CBCGCD140.4°180.0°
HB2CBCGHG163.3°60.0°
HB3CBCGCD235.3°60.0°
HB3CBCGCD1149.9°60.1°
HB3CBCGHG87.2°180.0°
CD2CGCD1HG122.4°120.0°
CGCD2CE2HD23125.3°120.0°
CGCD2CE2HD22125.3°120.0°
CGCD2HD23HD22117.2°120.0°
CGCD2CE2CZ54.8°60.0°
CGCD2CE2HE23179.9°60.1°
CGCD2CE2HE2270.5°180.0°
CD2CGCD1CE160.6°59.9°
CD2CGCD1HD12174.1°60.0°
CD2CGCD1HD1364.7°180.0°
CD1CGCD2CE258.9°60.0°
CD1CGCD2HD2366.4°179.9°
CD1CGCD2HD22175.9°60.0°
CGCD1CE1CZ57.8°59.9°
CGCD1CE1HD12125.2°119.9°
CGCD1CE1HD13125.2°120.1°
CGCD1CE1HE13176.9°60.1°
CGCD1CE1HE1267.5°180.0°
CGCD1HD12HD13117.3°120.0°
HGCGCD2CE264.1°60.0°
HGCGCD2HD23170.6°59.9°
HGCGCD2HD2261.1°180.0°
HGCGCD1CE161.8°60.1°
HGCGCD1HD1263.5°180.0°
HGCGCD1HD13172.9°60.0°
CE2CD2HD23HD22117.2°120.0°
CD2CE2CZHE23125.3°120.0°
CD2CE2CZHE22125.2°120.0°
CD2CE2HE23HE22117.0°120.0°
CD2CE2CZCE149.5°60.0°
CD2CE2CZHZ375.7°179.9°
CD2CE2CZHZ2174.7°60.0°
HD23CD2CE2CZ70.5°180.0°
HD23CD2CE2HE2354.8°59.9°
HD23CD2CE2HE22164.3°60.0°
HD22CD2CE2CZ179.9°60.0°
HD22CD2CE2HE2354.7°180.0°
HD22CD2CE2HE2254.8°60.0°
CZCE2HE23HE22117.1°120.0°
CE2CZCE1HZ3125.2°120.0°
CE2CZCE1HZ2125.3°119.9°
CE2CZHZ3HZ2117.1°119.9°
CE2CZCE1CD151.1°60.0°
CE2CZCE1HE13176.3°60.1°
CE2CZCE1HE1274.2°180.0°
HE23CE2CZCE1174.8°60.1°
HE23CE2CZHZ349.5°60.0°
HE23CE2CZHZ260.0°180.0°
HE22CE2CZCE175.7°180.0°
HE22CE2CZHZ3159.1°60.0°
HE22CE2CZHZ249.5°60.0°
CE1CZHZ3HZ2117.0°120.1°
CZCE1CD1HE13125.3°120.0°
CZCE1CD1HE12125.2°120.0°
CZCE1HE13HE12117.4°119.9°
CZCE1CD1HD12177.0°60.0°
CZCE1CD1HD1367.5°180.0°
HZ3CZCE1CD174.2°180.0°
HZ3CZCE1HE1351.1°59.9°
HZ3CZCE1HE12160.6°60.0°
HZ2CZCE1CD1176.3°60.0°
HZ2CZCE1HE1358.5°180.0°
HZ2CZCE1HE1251.1°60.1°
CD1CE1HE13HE12117.3°120.0°
CE1CD1HD12HD13117.4°120.0°
HE13CE1CD1HD1251.7°180.0°
HE13CE1CD1HD1357.8°60.0°
HE12CE1CD1HD1257.8°60.0°
HE12CE1CD1HD13167.3°59.9°

246704

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