Summary Geometry PCM/PTM Related PDB entries

A1CHS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	N22	sing	1.47Å	1.48Å
C21	C20	sing	1.53Å	1.51Å
O58	CG	sing	1.43Å	1.43Å
N19	C20	sing	1.47Å	1.49Å
N19	CD	sing	1.47Å	1.53Å
NE	CD	sing	1.47Å	1.45Å
CD	CG	sing	1.53Å	1.54Å
CG	CB	sing	1.53Å	1.53Å
CB	CA	sing	1.53Å	1.53Å
CA	C	sing	1.51Å	1.53Å
CA	N	sing	1.47Å	1.45Å
C	O	doub	1.21Å	1.22Å
CA	HA	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CG	HG2	sing	1.09Å	1.10Å
CD	HD2	sing	1.09Å	1.10Å
C20	H20B	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C21	H21A	sing	1.09Å	1.10Å
C21	H21B	sing	1.09Å	1.10Å
N19	H19	sing	1.01Å	1.00Å
N22	H22B	sing	1.01Å	1.00Å
N22	H22C	sing	1.01Å	1.00Å
NE	HE1	sing	1.01Å	1.00Å
NE	HE2	sing	1.01Å	1.00Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
O58	H58	sing	0.97Å	0.95Å
C	OXT	sing	1.34Å	1.34Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N22	C21	C20	111.6°	109.5°
N22	C21	H21A	109.0°	109.5°
N22	C21	H21B	108.9°	109.4°
C21	N22	H22B	109.5°	110.9°
C21	N22	H22C	109.5°	111.0°
C21	C20	N19	111.2°	109.5°
C21	C20	H20B	109.0°	109.4°
C21	C20	H20A	109.1°	109.5°
C20	C21	H21A	108.9°	109.5°
C20	C21	H21B	108.9°	109.4°
O58	CG	CD	110.5°	109.5°
O58	CG	CB	108.5°	109.4°
O58	CG	HG2	108.9°	109.5°
CG	O58	H58	109.5°	114.0°
C20	N19	CD	116.5°	111.0°
N19	C20	H20B	109.1°	109.5°
N19	C20	H20A	109.0°	109.5°
C20	N19	H19	107.7°	111.0°
N19	CD	NE	109.2°	109.5°
N19	CD	CG	107.5°	109.4°
N19	CD	HD2	109.3°	109.5°
CD	N19	H19	107.7°	111.0°
NE	CD	CG	111.3°	109.5°
NE	CD	HD2	110.4°	109.5°
CD	NE	HE1	109.5°	111.1°
CD	NE	HE2	109.5°	111.0°
CD	CG	CB	113.7°	109.5°
CD	CG	HG2	107.4°	109.5°
CG	CD	HD2	109.1°	109.5°
CG	CB	CA	116.0°	109.5°
CG	CB	HB3	107.8°	109.4°
CG	CB	HB2	107.8°	109.4°
CB	CG	HG2	107.6°	109.4°
CB	CA	C	112.0°	109.5°
CB	CA	N	111.7°	109.5°
CB	CA	HA	107.2°	109.4°
CA	CB	HB3	107.8°	109.5°
CA	CB	HB2	107.8°	109.5°
C	CA	N	110.4°	109.5°
CA	C	O	120.9°	120.0°
C	CA	HA	107.2°	109.5°
CA	C	OXT	116.1°	120.0°
N	CA	HA	108.1°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.4°	111.0°
O	C	OXT	123.0°	120.0°
HB3	CB	HB2	109.4°	109.5°
H20B	C20	H20A	109.4°	109.5°
H21A	C21	H21B	109.5°	109.5°
H22B	N22	H22C	109.5°	111.0°
HE1	NE	HE2	109.5°	111.0°
H	N	H2	109.5°	111.0°
C	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N22	C21	C20	H21A	120.3°	120.1°
N22	C21	C20	H21B	120.3°	119.9°
N22	C21	C20	N19	144.2°	180.0°
N22	C21	C20	H20B	95.6°	60.1°
N22	C21	C20	H20A	23.9°	60.0°
N22	C21	H21A	H21B	119.0°	119.9°
C21	N22	H22B	H22C	120.0°	123.9°
C21	C20	N19	H20B	120.3°	119.9°
C21	C20	N19	H20A	120.3°	120.0°
C21	C20	N19	CD	144.7°	180.0°
C21	C20	H20B	H20A	119.2°	120.0°
C20	C21	H21A	H21B	119.0°	120.0°
C21	C20	N19	H19	23.7°	56.1°
C20	C21	N22	H22B	180.0°	56.1°
C20	C21	N22	H22C	60.0°	180.0°
O58	CG	CD	N19	25.7°	60.0°
O58	CG	CD	NE	93.9°	59.9°
O58	CG	CD	CB	122.3°	120.0°
O58	CG	CD	HG2	118.7°	120.0°
O58	CG	CB	HG2	117.7°	120.0°
O58	CG	CB	CA	174.6°	65.0°
O58	CG	CB	HB3	64.4°	55.0°
O58	CG	CB	HB2	53.7°	175.0°
O58	CG	CD	HD2	144.1°	180.0°
C20	N19	CD	H19	121.0°	123.9°
C20	N19	CD	NE	93.5°	105.0°
C20	N19	CD	CG	145.6°	135.0°
C20	N19	CD	HD2	27.3°	15.0°
N19	C20	H20B	H20A	119.2°	120.0°
N19	C20	C21	H21A	23.8°	59.9°
N19	C20	C21	H21B	95.5°	60.1°
N19	CD	NE	CG	118.5°	119.9°
N19	CD	NE	HD2	120.2°	120.1°
N19	CD	CG	HD2	118.4°	120.0°
N19	CD	CG	CB	147.9°	180.0°
N19	CD	CG	HG2	93.0°	60.0°
CD	N19	C20	H20B	95.0°	60.1°
CD	N19	C20	H20A	24.5°	60.0°
N19	CD	NE	HE1	180.0°	59.9°
N19	CD	NE	HE2	60.0°	176.0°
NE	CD	CG	HD2	122.1°	120.0°
NE	CD	CG	CB	28.4°	60.0°
NE	CD	CG	HG2	147.5°	180.0°
NE	CD	N19	H19	27.5°	18.9°
CD	NE	HE1	HE2	120.0°	124.1°
CD	CG	CB	HG2	118.9°	120.0°
CD	CG	CB	CA	62.0°	175.0°
CD	CG	CB	HB3	58.9°	65.0°
CD	CG	CB	HB2	177.0°	55.0°
CG	CD	N19	H19	93.4°	101.1°
CG	CD	NE	HE1	61.5°	60.0°
CG	CD	NE	HE2	178.5°	64.0°
CD	CG	O58	H58	180.0°	60.0°
CG	CB	CA	HB3	121.0°	120.0°
CG	CB	CA	HB2	121.0°	120.0°
CG	CB	CA	C	145.8°	175.0°
CG	CB	CA	N	21.4°	65.0°
CG	CB	CA	HA	96.9°	55.0°
CG	CB	HB3	HB2	117.0°	119.9°
CB	CG	CD	HD2	93.7°	60.0°
CB	CG	O58	H58	54.6°	60.0°
CB	CA	C	N	125.1°	120.0°
CB	CA	C	HA	117.3°	120.0°
CB	CA	N	HA	117.7°	119.9°
CB	CA	C	O	36.5°	100.0°
CA	CB	HB3	HB2	117.0°	120.1°
CA	CB	CG	HG2	56.9°	55.0°
CB	CA	N	H	180.0°	60.1°
CB	CA	N	H2	60.0°	63.9°
CB	CA	C	OXT	142.3°	80.2°
C	CA	N	HA	117.0°	120.0°
CA	C	O	OXT	178.7°	179.7°
C	CA	CB	HB3	93.3°	65.0°
C	CA	CB	HB2	24.8°	55.0°
C	CA	N	H	54.7°	60.0°
C	CA	N	H2	65.3°	176.0°
CA	C	OXT	HXT	178.7°	179.8°
N	CA	C	O	88.6°	20.0°
N	CA	CB	HB3	142.3°	55.0°
N	CA	CB	HB2	99.6°	175.0°
CA	N	H	H2	120.0°	124.0°
N	CA	C	OXT	92.6°	159.7°
O	C	CA	HA	153.9°	140.0°
O	C	OXT	HXT	0.0°	0.0°
HA	CA	CB	HB3	24.1°	175.0°
HA	CA	CB	HB2	142.1°	65.0°
HA	CA	N	H	62.3°	180.0°
HA	CA	N	H2	177.7°	56.0°
HA	CA	C	OXT	24.9°	39.7°
HB3	CB	CG	HG2	177.9°	175.0°
HB2	CB	CG	HG2	64.0°	65.1°
HG2	CG	CD	HD2	25.4°	60.0°
HG2	CG	O58	H58	62.3°	180.0°
HD2	CD	N19	H19	148.4°	138.9°
HD2	CD	NE	HE1	59.9°	180.0°
HD2	CD	NE	HE2	60.2°	55.9°
H20B	C20	C21	H21A	144.1°	60.0°
H20B	C20	C21	H21B	24.8°	180.0°
H20B	C20	N19	H19	144.0°	176.0°
H20A	C20	C21	H21A	96.4°	179.9°
H20A	C20	C21	H21B	144.2°	59.9°
H20A	C20	N19	H19	96.6°	63.9°
H21A	C21	N22	H22B	59.7°	64.0°
H21A	C21	N22	H22C	60.3°	59.9°
H21B	C21	N22	H22B	59.7°	176.0°
H21B	C21	N22	H22C	179.7°	60.0°

Release date:	2026-04-22
Definition date:	2025-07-02
Last modified:	2026-04-17
Release status:	REL
Processing site:	RCSB
Derived from:	9PE1