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Summary Geometry Related PDB entries

0AK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.45Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	C	sing	1.51Å	1.50Å
CA	CB	sing	1.53Å	1.55Å
CA	HA	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.21Å
C	OXT	sing	1.34Å	1.32Å
CB	CG	sing	1.51Å	1.51Å
CB	HBC1	sing	1.09Å	1.10Å
CB	HBC2	sing	1.09Å	1.10Å
CG	OD1	doub	1.21Å	1.29Å
CG	OD2	sing	1.34Å	1.22Å
OD2	C1	sing	1.45Å	1.23Å
C1	C2	sing	1.53Å	1.51Å
C1	H1C1	sing	1.09Å	1.10Å
C1	H1C2	sing	1.09Å	1.10Å
C2	CL	sing	1.80Å	1.67Å
C2	H2C1	sing	1.09Å	1.10Å
C2	H2C2	sing	1.09Å	1.10Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
N	CA	C	109.4°	109.5°
N	CA	CB	109.0°	109.5°
N	CA	HA	110.7°	109.4°
H	N	H2	109.5°	110.9°
C	CA	CB	112.0°	109.5°
C	CA	HA	107.6°	109.5°
CA	C	O	120.3°	120.0°
CA	C	OXT	117.7°	120.0°
CB	CA	HA	108.1°	109.5°
CA	CB	CG	120.2°	109.5°
CA	CB	HBC1	106.0°	109.4°
CA	CB	HBC2	103.5°	109.4°
O	C	OXT	121.9°	120.0°
C	OXT	HXT	109.5°	117.0°
CG	CB	HBC1	106.1°	109.5°
CG	CB	HBC2	103.5°	109.5°
CB	CG	OD1	112.5°	120.1°
CB	CG	OD2	123.8°	120.0°
HBC1	CB	HBC2	118.3°	109.5°
OD1	CG	OD2	123.5°	119.9°
CG	OD2	C1	127.7°	117.0°
OD2	C1	C2	125.6°	109.4°
OD2	C1	H1C1	104.4°	109.5°
OD2	C1	H1C2	100.6°	109.5°
C2	C1	H1C1	104.4°	109.5°
C2	C1	H1C2	100.6°	109.5°
C1	C2	CL	112.3°	109.5°
C1	C2	H2C1	108.5°	109.5°
C1	C2	H2C2	107.9°	109.5°
H1C1	C1	H1C2	123.2°	109.5°
CL	C2	H2C1	108.6°	109.4°
CL	C2	H2C2	107.9°	109.5°
H2C1	C2	H2C2	111.7°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	H	H2	120.0°	123.9°
N	CA	C	CB	121.0°	120.0°
N	CA	C	HA	120.4°	120.0°
N	CA	CB	HA	120.4°	119.9°
N	CA	C	O	44.5°	20.0°
N	CA	C	OXT	133.0°	160.0°
N	CA	CB	CG	161.7°	65.0°
N	CA	CB	HBC1	41.6°	55.0°
N	CA	CB	HBC2	83.6°	175.1°
H	N	CA	C	132.6°	63.9°
H	N	CA	CB	9.8°	176.1°
H	N	CA	HA	108.9°	56.1°
H2	N	CA	C	107.3°	60.0°
H2	N	CA	CB	129.8°	60.0°
H2	N	CA	HA	11.1°	180.0°
C	CA	CB	HA	118.4°	120.0°
CA	C	O	OXT	177.4°	180.0°
C	CA	CB	CG	77.1°	175.0°
C	CA	CB	HBC1	162.9°	65.0°
C	CA	CB	HBC2	37.7°	55.0°
CA	C	OXT	HXT	177.4°	180.0°
CB	CA	C	O	165.5°	100.0°
CB	CA	C	OXT	12.0°	80.0°
CA	CB	CG	HBC1	120.0°	120.0°
CA	CB	CG	HBC2	114.8°	119.9°
CA	CB	HBC1	HBC2	115.5°	120.0°
CA	CB	CG	OD1	90.7°	0.1°
CA	CB	CG	OD2	94.9°	180.0°
HA	CA	C	O	75.9°	140.0°
HA	CA	C	OXT	106.7°	40.0°
HA	CA	CB	CG	41.3°	55.0°
HA	CA	CB	HBC1	78.7°	175.0°
HA	CA	CB	HBC2	156.0°	65.0°
O	C	OXT	HXT	0.0°	0.0°
CG	CB	HBC1	HBC2	115.6°	120.0°
CB	CG	OD1	OD2	174.4°	180.0°
CB	CG	OD2	C1	150.4°	180.0°
HBC1	CB	CG	OD1	149.3°	119.9°
HBC1	CB	CG	OD2	25.1°	60.0°
HBC2	CB	CG	OD1	24.1°	120.0°
HBC2	CB	CG	OD2	150.3°	60.1°
OD1	CG	OD2	C1	35.8°	0.0°
CG	OD2	C1	C2	21.1°	180.0°
CG	OD2	C1	H1C1	141.1°	60.0°
CG	OD2	C1	H1C2	90.3°	60.0°
OD2	C1	C2	H1C1	120.0°	120.0°
OD2	C1	C2	H1C2	111.4°	120.0°
OD2	C1	H1C1	H1C2	113.3°	120.1°
OD2	C1	C2	CL	155.7°	65.0°
OD2	C1	C2	H2C1	84.3°	175.0°
OD2	C1	C2	H2C2	36.9°	55.1°
C2	C1	H1C1	H1C2	113.4°	120.0°
C1	C2	CL	H2C1	120.0°	120.0°
C1	C2	CL	H2C2	118.8°	120.1°
C1	C2	H2C1	H2C2	118.8°	120.0°
H1C1	C1	C2	CL	35.7°	55.0°
H1C1	C1	C2	H2C1	155.7°	65.0°
H1C1	C1	C2	H2C2	83.1°	175.1°
H1C2	C1	C2	CL	92.9°	175.0°
H1C2	C1	C2	H2C1	27.1°	55.0°
H1C2	C1	C2	H2C2	148.3°	65.0°
CL	C2	H2C1	H2C2	118.9°	120.0°

218853

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