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0AH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.47Å1.46Å
NHN1sing1.01Å1.00Å
NHN2sing1.01Å1.00Å
CACsing1.51Å1.53Å
CACBsing1.53Å1.52Å
CAHAsing1.09Å1.10Å
COdoub1.21Å1.23Å
COXTsing1.34Å1.33Å
CBO2sing1.45Å1.45Å
CBHBC1sing1.09Å1.10Å
CBHBC2sing1.09Å1.10Å
C1O1doub1.21Å1.26Å
C1O2sing1.34Å1.36Å
C1C2sing1.51Å1.60Å
C2BR2sing1.97Å1.91Å
C2H2C1sing1.09Å1.10Å
C2H2C2sing1.09Å1.10Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANHN1109.5°111.0°
CANHN2109.4°111.0°
NCAC115.2°109.5°
NCACB110.4°109.5°
NCAHA104.2°109.4°
HN1NHN2109.5°111.0°
CCACB107.8°109.5°
CCAHA107.0°109.5°
CACO120.4°120.1°
CACOXT117.9°120.0°
CBCAHA112.1°109.5°
CACBO2144.8°109.5°
CACBHBC199.0°109.5°
CACBHBC291.8°109.5°
OCOXT121.7°120.0°
COXTHXT109.5°117.0°
O2CBHBC199.0°109.5°
O2CBHBC291.7°109.4°
CBO2C1120.7°117.0°
HBC1CBHBC2143.0°109.5°
O1C1O2122.9°120.0°
O1C1C2121.1°120.0°
O2C1C2116.0°120.0°
C1C2BR2114.2°109.5°
C1C2H2C1107.9°109.5°
C1C2H2C2106.9°109.5°
BR2C2H2C1108.0°109.5°
BR2C2H2C2106.9°109.4°
H2C1C2H2C2113.2°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANHN1HN2120.0°124.0°
NCACCB123.8°120.0°
NCACHA115.4°119.9°
NCACBHA115.8°120.0°
NCACO121.4°20.0°
NCACOXT57.7°160.0°
NCACBO252.2°65.0°
NCACBHBC167.8°55.0°
NCACBHBC2147.7°175.0°
HN1NCAC125.9°64.0°
HN1NCACB111.7°176.0°
HN1NCAHA8.9°56.0°
HN2NCAC5.8°60.0°
HN2NCACB128.3°60.0°
HN2NCAHA111.1°180.0°
CCACBHA117.6°120.0°
CACOOXT179.1°180.0°
CCACBO2178.8°175.0°
CCACBHBC158.8°64.9°
CCACBHBC285.6°55.1°
CACOXTHXT179.2°180.0°
CBCACO114.8°100.0°
CBCACOXT66.1°80.0°
CACBO2HBC1120.0°120.1°
CACBO2HBC295.5°119.9°
CACBHBC1HBC2105.2°120.0°
CACBO2C183.4°180.0°
HACACO6.1°139.9°
HACACOXT173.1°40.0°
HACACBO263.6°54.9°
HACACBHBC1176.4°175.0°
HACACBHBC231.9°65.0°
OCOXTHXT0.0°0.0°
O2CBHBC1HBC2105.1°119.9°
CBO2C1O115.9°0.1°
CBO2C1C2162.5°180.0°
HBC1CBO2C1156.6°59.9°
HBC2CBO2C112.2°60.1°
O1C1O2C2178.3°180.0°
O1C1C2BR2157.8°0.0°
O1C1C2H2C137.8°120.0°
O1C1C2H2C284.3°120.0°
O2C1C2BR223.8°180.0°
O2C1C2H2C1143.8°59.9°
O2C1C2H2C294.1°60.0°
C1C2BR2H2C1120.0°120.1°
C1C2BR2H2C2118.0°120.0°
C1C2H2C1H2C2118.1°120.0°
BR2C2H2C1H2C2118.1°119.9°

222415

PDB entries from 2024-07-10

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