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Summary Geometry Related PDB entries

CAS

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	1.02Å
N	H2	sing	1.01Å	1.02Å
CA	CB	sing	1.53Å	1.52Å
CA	C	sing	1.51Å	1.52Å
CA	HA	sing	1.09Å	1.11Å
CB	SG	sing	1.81Å	1.80Å
CB	HB2	sing	1.09Å	1.12Å
CB	HB3	sing	1.09Å	1.11Å
C	O	doub	1.21Å	1.22Å
C	OXT	sing	1.34Å	1.32Å
OXT	HXT	sing	0.97Å	0.95Å
SG	AS	sing	2.24Å	2.25Å
AS	CE1	sing	1.99Å	1.90Å
AS	CE2	sing	1.99Å	1.95Å
CE1	HE11	sing	1.09Å	1.12Å
CE1	HE12	sing	1.09Å	1.12Å
CE1	HE13	sing	1.09Å	1.12Å
CE2	HE21	sing	1.09Å	1.12Å
CE2	HE22	sing	1.09Å	1.12Å
CE2	HE23	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H	111.3°	106.7°
CA	N	H2	111.5°	106.7°
N	CA	CB	111.3°	109.5°
N	CA	C	106.5°	109.4°
N	CA	HA	110.3°	109.5°
H	N	H2	111.5°	106.7°
CB	CA	C	109.7°	109.5°
CB	CA	HA	107.1°	109.5°
CA	CB	SG	113.1°	109.5°
CA	CB	HB2	110.9°	109.4°
CA	CB	HB3	110.9°	109.5°
C	CA	HA	111.9°	109.4°
CA	C	O	121.1°	120.0°
CA	C	OXT	115.6°	120.0°
SG	CB	HB2	110.9°	109.5°
SG	CB	HB3	110.9°	109.5°
CB	SG	AS	94.6°	100.0°
HB2	CB	HB3	99.4°	109.5°
O	C	OXT	123.2°	120.0°
C	OXT	HXT	115.6°	120.0°
SG	AS	CE1	97.7°	109.5°
SG	AS	CE2	101.4°	109.5°
CE1	AS	CE2	106.2°	109.5°
AS	CE1	HE11	97.7°	109.5°
AS	CE1	HE12	116.8°	109.4°
AS	CE1	HE13	116.8°	109.5°
AS	CE2	HE21	101.4°	109.5°
AS	CE2	HE22	115.3°	109.5°
AS	CE2	HE23	115.3°	109.5°
HE11	CE1	HE12	116.7°	109.5°
HE11	CE1	HE13	116.8°	109.5°
HE12	CE1	HE13	93.6°	109.4°
HE21	CE2	HE22	115.3°	109.4°
HE21	CE2	HE23	115.4°	109.5°
HE22	CE2	HE23	95.2°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	H	H2	125.3°	113.7°
N	CA	CB	C	117.7°	120.0°
N	CA	CB	HA	120.7°	120.0°
N	CA	C	HA	120.7°	120.0°
N	CA	CB	SG	77.7°	60.0°
N	CA	CB	HB2	47.6°	180.0°
N	CA	CB	HB3	157.1°	60.0°
N	CA	C	O	29.4°	30.1°
N	CA	C	OXT	148.3°	150.0°
H	N	CA	CB	180.0°	60.0°
H	N	CA	C	60.4°	60.1°
H	N	CA	HA	61.2°	179.9°
H2	N	CA	CB	54.7°	53.7°
H2	N	CA	C	174.3°	173.8°
H2	N	CA	HA	64.0°	66.2°
CB	CA	C	HA	118.7°	120.0°
CA	CB	SG	HB2	125.3°	120.0°
CA	CB	SG	HB3	125.3°	120.0°
CA	CB	HB2	HB3	116.8°	119.9°
CB	CA	C	O	91.1°	89.9°
CB	CA	C	OXT	91.1°	90.0°
CA	CB	SG	AS	101.5°	180.0°
C	CA	CB	SG	164.7°	180.0°
C	CA	CB	HB2	70.1°	60.0°
C	CA	CB	HB3	39.4°	60.0°
CA	C	O	OXT	177.6°	179.9°
CA	C	OXT	HXT	179.9°	179.9°
HA	CA	CB	SG	43.0°	60.0°
HA	CA	CB	HB2	168.3°	60.0°
HA	CA	CB	HB3	82.3°	180.0°
HA	CA	C	O	150.1°	150.0°
HA	CA	C	OXT	27.6°	30.0°
SG	CB	HB2	HB3	116.7°	120.0°
CB	SG	AS	CE1	133.7°	180.0°
CB	SG	AS	CE2	118.0°	60.0°
HB2	CB	SG	AS	23.8°	60.0°
HB3	CB	SG	AS	133.2°	60.0°
O	C	OXT	HXT	2.3°	0.0°
SG	AS	CE1	CE2	104.3°	120.0°
SG	AS	CE1	HE11	180.0°	180.0°
SG	AS	CE1	HE12	54.7°	60.0°
SG	AS	CE1	HE13	54.7°	60.0°
SG	AS	CE2	HE21	180.0°	60.0°
SG	AS	CE2	HE22	54.8°	180.0°
SG	AS	CE2	HE23	54.7°	60.0°
AS	CE1	HE11	HE12	125.3°	120.0°
AS	CE1	HE11	HE13	125.3°	120.0°
AS	CE1	HE12	HE13	122.5°	120.0°
CE1	AS	CE2	HE21	78.4°	180.0°
CE1	AS	CE2	HE22	46.8°	60.0°
CE1	AS	CE2	HE23	156.3°	60.0°
CE2	AS	CE1	HE11	75.7°	60.0°
CE2	AS	CE1	HE12	159.0°	180.0°
CE2	AS	CE1	HE13	49.6°	60.0°
AS	CE2	HE21	HE22	125.2°	120.0°
AS	CE2	HE21	HE23	125.3°	120.0°
AS	CE2	HE22	HE23	121.1°	120.0°
HE11	CE1	HE12	HE13	122.5°	120.0°
HE21	CE2	HE22	HE23	121.2°	120.0°

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