TMD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CN	sing	1.47Å	1.51Å
N	CA	sing	1.47Å	1.47Å
N	H	sing	1.01Å	1.02Å
CN	HN1	sing	1.09Å	1.11Å
CN	HN2	sing	1.09Å	1.11Å
CN	HN3	sing	1.09Å	1.12Å
CA	C	sing	1.51Å	1.54Å
CA	CB	sing	1.53Å	1.59Å
CA	HA	sing	1.09Å	1.11Å
C	O	doub	1.21Å	1.24Å
C	OXT	sing	1.34Å	1.35Å
OXT	HXT	sing	0.97Å	0.95Å
CB	OG2	sing	1.43Å	1.42Å
CB	CG1	sing	1.53Å	1.57Å
CB	HB	sing	1.09Å	1.11Å
CD1	CE	sing	1.53Å	1.52Å
CD1	CG1	sing	1.53Å	1.55Å
CD1	HD13	sing	1.09Å	1.12Å
CD1	HD12	sing	1.09Å	1.12Å
CD2	CG1	sing	1.53Å	1.52Å
CD2	HD21	sing	1.09Å	1.12Å
CD2	HD22	sing	1.09Å	1.12Å
CD2	HD23	sing	1.09Å	1.11Å
CE	CZ	sing	1.53Å	1.52Å
CE	HE2	sing	1.09Å	1.11Å
CE	HE3	sing	1.09Å	1.12Å
CZ	CH	sing	1.53Å	1.56Å
CZ	HZ2	sing	1.09Å	1.12Å
CZ	HZ3	sing	1.09Å	1.11Å
CH	HH1	sing	1.09Å	1.12Å
CH	HH2	sing	1.09Å	1.11Å
CH	HH3	sing	1.09Å	1.12Å
OG2	HG2	sing	0.97Å	0.95Å
CG1	HG1	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CN	N	CA	120.7°	106.7°
CN	N	H	108.2°	106.7°
N	CN	HN1	120.7°	109.4°
N	CN	HN2	108.2°	109.5°
N	CN	HN3	108.2°	109.5°
CA	N	H	108.2°	106.6°
N	CA	C	115.4°	109.5°
N	CA	CB	112.6°	109.5°
N	CA	HA	102.4°	109.4°
HN1	CN	HN2	108.3°	109.4°
HN1	CN	HN3	108.2°	109.5°
HN2	CN	HN3	101.7°	109.5°
C	CA	CB	107.8°	109.6°
C	CA	HA	107.7°	109.5°
CA	C	O	123.1°	120.0°
CA	C	OXT	116.2°	120.1°
CB	CA	HA	110.8°	109.5°
CA	CB	OG2	106.0°	109.5°
CA	CB	CG1	115.6°	109.5°
CA	CB	HB	107.3°	109.5°
O	C	OXT	120.6°	119.9°
C	OXT	HXT	116.3°	120.1°
OG2	CB	CG1	108.0°	109.5°
OG2	CB	HB	115.0°	109.4°
CB	OG2	HG2	106.0°	106.7°
CG1	CB	HB	105.2°	109.5°
CB	CG1	CD1	110.8°	109.6°
CB	CG1	CD2	110.3°	109.5°
CB	CG1	HG1	108.0°	109.5°
CE	CD1	CG1	115.2°	109.6°
CE	CD1	HD13	110.1°	109.5°
CE	CD1	HD12	110.1°	109.5°
CD1	CE	CZ	114.5°	109.6°
CD1	CE	HE2	110.4°	109.4°
CD1	CE	HE3	110.4°	109.5°
CG1	CD1	HD13	110.2°	109.4°
CG1	CD1	HD12	110.1°	109.5°
CD1	CG1	CD2	109.4°	109.4°
CD1	CG1	HG1	108.9°	109.5°
HD13	CD1	HD12	100.1°	109.4°
CG1	CD2	HD21	110.3°	109.4°
CG1	CD2	HD22	111.9°	109.5°
CG1	CD2	HD23	112.0°	109.5°
CD2	CG1	HG1	109.4°	109.4°
HD21	CD2	HD22	111.9°	109.4°
HD21	CD2	HD23	111.8°	109.5°
HD22	CD2	HD23	98.5°	109.5°
CZ	CE	HE2	110.4°	109.5°
CZ	CE	HE3	110.3°	109.5°
CE	CZ	CH	108.2°	109.5°
CE	CZ	HZ2	112.7°	109.5°
CE	CZ	HZ3	112.7°	109.4°
HE2	CE	HE3	99.9°	109.4°
CH	CZ	HZ2	112.6°	109.5°
CH	CZ	HZ3	112.7°	109.5°
CZ	CH	HH1	108.2°	109.5°
CZ	CH	HH2	112.7°	109.5°
CZ	CH	HH3	112.7°	109.5°
HZ2	CZ	HZ3	97.8°	109.4°
HH1	CH	HH2	112.7°	109.5°
HH1	CH	HH3	112.6°	109.4°
HH2	CH	HH3	97.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CN	N	CA	H	125.3°	113.7°
N	CN	HN1	HN2	125.3°	119.9°
N	CN	HN1	HN3	125.2°	120.0°
N	CN	HN2	HN3	113.8°	120.0°
CN	N	CA	C	59.0°	89.9°
CN	N	CA	CB	65.4°	150.0°
CN	N	CA	HA	175.7°	30.0°
CA	N	CN	HN1	180.0°	180.0°
CA	N	CN	HN2	54.7°	60.1°
CA	N	CN	HN3	54.7°	60.0°
N	CA	C	CB	126.8°	120.1°
N	CA	C	HA	113.6°	119.9°
N	CA	CB	HA	113.9°	119.9°
N	CA	C	O	4.8°	150.0°
N	CA	C	OXT	172.1°	30.1°
N	CA	CB	OG2	71.3°	60.1°
N	CA	CB	CG1	48.4°	60.0°
N	CA	CB	HB	165.3°	180.0°
H	N	CN	HN1	54.7°	66.3°
H	N	CN	HN2	180.0°	173.8°
H	N	CN	HN3	70.5°	53.7°
H	N	CA	C	175.7°	23.8°
H	N	CA	CB	59.9°	96.3°
H	N	CA	HA	59.1°	143.8°
HN1	CN	HN2	HN3	113.8°	120.0°
C	CA	CB	HA	117.6°	120.0°
CA	C	O	OXT	176.8°	180.0°
CA	C	OXT	HXT	180.0°	179.9°
C	CA	CB	OG2	57.2°	60.0°
C	CA	CB	CG1	176.8°	180.0°
C	CA	CB	HB	66.2°	60.0°
CB	CA	C	O	122.0°	90.0°
CB	CA	C	OXT	61.1°	90.0°
CA	CB	OG2	CG1	124.5°	120.1°
CA	CB	OG2	HB	118.4°	120.0°
CA	CB	CG1	HB	118.1°	120.0°
CA	CB	CG1	CD1	178.8°	180.0°
CA	CB	CG1	CD2	57.5°	60.0°
CA	CB	OG2	HG2	180.0°	60.0°
CA	CB	CG1	HG1	62.1°	60.0°
HA	CA	C	O	118.4°	30.1°
HA	CA	C	OXT	58.5°	150.0°
HA	CA	CB	OG2	174.8°	180.0°
HA	CA	CB	CG1	65.6°	60.0°
HA	CA	CB	HB	51.4°	60.1°
O	C	OXT	HXT	3.0°	0.0°
OG2	CB	CG1	HB	123.3°	119.9°
OG2	CB	CG1	CD1	62.7°	60.0°
OG2	CB	CG1	CD2	176.0°	180.0°
OG2	CB	CG1	HG1	56.5°	60.1°
CB	CG1	CD1	CE	58.5°	180.0°
CB	CG1	CD1	CD2	121.8°	120.0°
CB	CG1	CD1	HG1	118.7°	120.1°
CB	CG1	CD1	HD13	66.8°	60.0°
CB	CG1	CD1	HD12	176.2°	60.0°
CB	CG1	CD2	HG1	118.7°	120.0°
CB	CG1	CD2	HD21	180.0°	60.0°
CB	CG1	CD2	HD22	54.8°	59.9°
CB	CG1	CD2	HD23	54.8°	180.0°
CG1	CB	OG2	HG2	55.5°	60.0°
HB	CB	CG1	CD1	60.6°	60.0°
HB	CB	CG1	CD2	60.7°	60.0°
HB	CB	OG2	HG2	61.6°	180.0°
HB	CB	CG1	HG1	179.8°	180.0°
CE	CD1	CG1	HD13	125.3°	120.0°
CE	CD1	CG1	HD12	125.3°	120.0°
CE	CD1	HD13	HD12	115.9°	120.0°
CE	CD1	CG1	CD2	63.3°	60.0°
CD1	CE	CZ	HE2	125.3°	120.0°
CD1	CE	CZ	HE3	125.3°	120.0°
CD1	CE	HE2	HE3	116.2°	119.9°
CD1	CE	CZ	CH	177.4°	180.0°
CD1	CE	CZ	HZ2	57.4°	60.0°
CD1	CE	CZ	HZ3	52.1°	60.0°
CE	CD1	CG1	HG1	177.2°	59.9°
CG1	CD1	HD13	HD12	115.9°	119.9°
CD1	CG1	CD2	HG1	119.2°	119.9°
CD1	CG1	CD2	HD21	57.9°	60.1°
CD1	CG1	CD2	HD22	67.4°	180.0°
CD1	CG1	CD2	HD23	176.9°	59.9°
CG1	CD1	CE	CZ	173.7°	180.0°
CG1	CD1	CE	HE2	48.4°	59.9°
CG1	CD1	CE	HE3	61.1°	60.0°
HD13	CD1	CG1	CD2	171.4°	60.1°
HD13	CD1	CE	CZ	48.4°	60.0°
HD13	CD1	CE	HE2	76.9°	180.0°
HD13	CD1	CE	HE3	173.6°	60.1°
HD13	CD1	CG1	HG1	51.9°	180.0°
HD12	CD1	CG1	CD2	62.0°	180.0°
HD12	CD1	CE	CZ	61.0°	60.0°
HD12	CD1	CE	HE2	173.7°	60.1°
HD12	CD1	CE	HE3	64.2°	180.0°
HD12	CD1	CG1	HG1	57.6°	60.1°
CG1	CD2	HD21	HD22	125.3°	120.0°
CG1	CD2	HD21	HD23	125.3°	120.0°
CG1	CD2	HD22	HD23	117.9°	120.1°
HD21	CD2	HD22	HD23	117.7°	120.0°
HD21	CD2	CG1	HG1	61.3°	180.0°
HD22	CD2	CG1	HG1	173.4°	60.1°
HD23	CD2	CG1	HG1	63.9°	60.0°
CZ	CE	HE2	HE3	116.2°	120.0°
CE	CZ	CH	HZ2	125.2°	120.0°
CE	CZ	CH	HZ3	125.3°	120.0°
CE	CZ	HZ2	HZ3	118.6°	120.0°
CE	CZ	CH	HH1	180.0°	180.0°
CE	CZ	CH	HH2	54.7°	60.0°
CE	CZ	CH	HH3	54.8°	60.0°
HE2	CE	CZ	CH	52.1°	60.0°
HE2	CE	CZ	HZ2	177.3°	179.9°
HE2	CE	CZ	HZ3	73.2°	60.0°
HE3	CE	CZ	CH	57.4°	60.0°
HE3	CE	CZ	HZ2	67.9°	60.1°
HE3	CE	CZ	HZ3	177.3°	180.0°
CH	CZ	HZ2	HZ3	118.6°	120.0°
CZ	CH	HH1	HH2	125.3°	120.1°
CZ	CH	HH1	HH3	125.2°	120.0°
CZ	CH	HH2	HH3	118.6°	120.0°
HZ2	CZ	CH	HH1	54.7°	60.0°
HZ2	CZ	CH	HH2	180.0°	60.1°
HZ2	CZ	CH	HH3	70.4°	179.9°
HZ3	CZ	CH	HH1	54.7°	60.0°
HZ3	CZ	CH	HH2	70.5°	180.0°
HZ3	CZ	CH	HH3	179.9°	60.0°
HH1	CH	HH2	HH3	118.5°	119.9°

Definition date:	1999-07-08
Last modified:	2023-11-03
Release status:	REL
Processing site:	EBI
Derived from:	1CWK