M3L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.47Å
N	H	sing	1.01Å	1.02Å
N	H2	sing	1.01Å	1.02Å
CA	CB	sing	1.53Å	1.54Å
CA	C	sing	1.51Å	1.52Å
CA	HA	sing	1.09Å	1.12Å
CB	CG	sing	1.53Å	1.54Å
CB	HB2	sing	1.09Å	1.11Å
CB	HB3	sing	1.09Å	1.11Å
CG	CD	sing	1.53Å	1.59Å
CG	HG2	sing	1.09Å	1.12Å
CG	HG3	sing	1.09Å	1.11Å
CD	CE	sing	1.53Å	1.53Å
CD	HD2	sing	1.09Å	1.11Å
CD	HD3	sing	1.09Å	1.12Å
CE	NZ	sing	1.47Å	1.50Å
CE	HE2	sing	1.09Å	1.11Å
CE	HE3	sing	1.09Å	1.11Å
NZ	CM1	sing	1.47Å	1.50Å
NZ	CM2	sing	1.47Å	1.50Å
NZ	CM3	sing	1.47Å	1.49Å
C	O	doub	1.21Å	1.24Å
C	OXT	sing	1.34Å	1.28Å
OXT	HXT	sing	0.97Å	0.95Å
CM1	HM11	sing	1.09Å	1.11Å
CM1	HM12	sing	1.09Å	1.12Å
CM1	HM13	sing	1.09Å	1.12Å
CM2	HM21	sing	1.09Å	1.11Å
CM2	HM22	sing	1.09Å	1.12Å
CM2	HM23	sing	1.09Å	1.12Å
CM3	HM31	sing	1.09Å	1.11Å
CM3	HM32	sing	1.09Å	1.12Å
CM3	HM33	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H	113.9°	106.7°
CA	N	H2	110.6°	106.7°
N	CA	CB	113.9°	109.5°
N	CA	C	114.0°	109.5°
N	CA	HA	103.5°	109.5°
H	N	H2	110.5°	106.7°
CB	CA	C	111.2°	109.5°
CB	CA	HA	106.7°	109.5°
CA	CB	CG	111.4°	109.5°
CA	CB	HB2	111.5°	109.5°
CA	CB	HB3	111.5°	109.5°
C	CA	HA	106.7°	109.4°
CA	C	O	118.3°	120.0°
CA	C	OXT	114.4°	120.0°
CG	CB	HB2	111.6°	109.5°
CG	CB	HB3	111.5°	109.5°
CB	CG	CD	103.6°	109.5°
CB	CG	HG2	114.4°	109.4°
CB	CG	HG3	114.4°	109.5°
HB2	CB	HB3	98.9°	109.5°
CD	CG	HG2	114.5°	109.5°
CD	CG	HG3	114.5°	109.5°
CG	CD	CE	107.0°	109.5°
CG	CD	HD2	113.1°	109.5°
CG	CD	HD3	113.1°	109.5°
HG2	CG	HG3	96.1°	109.5°
CE	CD	HD2	113.2°	109.5°
CE	CD	HD3	113.2°	109.5°
CD	CE	NZ	110.8°	109.5°
CD	CE	HE2	111.7°	109.4°
CD	CE	HE3	111.7°	109.4°
HD2	CD	HD3	97.3°	109.5°
NZ	CE	HE2	111.8°	109.6°
NZ	CE	HE3	111.8°	109.5°
CE	NZ	CM1	102.8°	109.5°
CE	NZ	CM2	115.9°	109.5°
CE	NZ	CM3	107.9°	109.4°
HE2	CE	HE3	98.6°	109.5°
CM1	NZ	CM2	105.7°	109.5°
CM1	NZ	CM3	113.2°	109.4°
NZ	CM1	HM11	102.8°	109.4°
NZ	CM1	HM12	114.7°	109.5°
NZ	CM1	HM13	114.8°	109.5°
CM2	NZ	CM3	111.2°	109.5°
NZ	CM2	HM21	115.9°	109.5°
NZ	CM2	HM22	109.8°	109.4°
NZ	CM2	HM23	109.8°	109.4°
NZ	CM3	HM31	107.9°	109.4°
NZ	CM3	HM32	112.8°	109.5°
NZ	CM3	HM33	112.8°	109.5°
O	C	OXT	127.3°	120.0°
C	OXT	HXT	114.3°	120.0°
HM11	CM1	HM12	114.8°	109.5°
HM11	CM1	HM13	114.8°	109.4°
HM12	CM1	HM13	95.7°	109.5°
HM21	CM2	HM22	109.9°	109.5°
HM21	CM2	HM23	109.9°	109.5°
HM22	CM2	HM23	100.3°	109.5°
HM31	CM3	HM32	112.8°	109.5°
HM31	CM3	HM33	112.8°	109.5°
HM32	CM3	HM33	97.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	H	H2	125.2°	113.8°
N	CA	CB	C	130.5°	120.0°
N	CA	CB	HA	113.5°	120.0°
N	CA	C	HA	113.5°	120.0°
N	CA	CB	CG	51.8°	65.0°
N	CA	CB	HB2	73.5°	175.0°
N	CA	CB	HB3	177.0°	55.0°
N	CA	C	O	159.4°	20.1°
N	CA	C	OXT	22.5°	160.0°
H	N	CA	CB	180.0°	60.0°
H	N	CA	C	50.9°	60.0°
H	N	CA	HA	64.6°	179.9°
H2	N	CA	CB	54.8°	53.8°
H2	N	CA	C	176.1°	173.8°
H2	N	CA	HA	60.7°	66.3°
CB	CA	C	HA	116.0°	120.0°
CA	CB	CG	HB2	125.3°	120.0°
CA	CB	CG	HB3	125.3°	120.0°
CA	CB	HB2	HB3	117.4°	120.0°
CA	CB	CG	CD	146.3°	180.0°
CA	CB	CG	HG2	21.1°	60.0°
CA	CB	CG	HG3	88.4°	60.0°
CB	CA	C	O	70.1°	100.0°
CB	CA	C	OXT	108.0°	80.0°
C	CA	CB	CG	177.7°	175.0°
C	CA	CB	HB2	57.0°	55.0°
C	CA	CB	HB3	52.5°	65.0°
CA	C	O	OXT	177.8°	179.9°
CA	C	OXT	HXT	180.0°	180.0°
HA	CA	CB	CG	61.8°	55.0°
HA	CA	CB	HB2	173.0°	65.0°
HA	CA	CB	HB3	63.5°	175.0°
HA	CA	C	O	45.9°	140.0°
HA	CA	C	OXT	136.0°	40.0°
CG	CB	HB2	HB3	117.4°	120.0°
CB	CG	CD	HG2	125.2°	119.9°
CB	CG	CD	HG3	125.2°	120.0°
CB	CG	HG2	HG3	120.3°	120.0°
CB	CG	CD	CE	156.7°	180.0°
CB	CG	CD	HD2	78.0°	60.0°
CB	CG	CD	HD3	31.4°	59.9°
HB2	CB	CG	CD	88.4°	60.0°
HB2	CB	CG	HG2	146.3°	180.0°
HB2	CB	CG	HG3	36.9°	60.0°
HB3	CB	CG	CD	21.1°	60.0°
HB3	CB	CG	HG2	104.2°	60.0°
HB3	CB	CG	HG3	146.3°	180.0°
CD	CG	HG2	HG3	120.4°	120.1°
CG	CD	CE	HD2	125.3°	120.0°
CG	CD	CE	HD3	125.2°	120.0°
CG	CD	HD2	HD3	119.0°	120.0°
CG	CD	CE	NZ	147.6°	180.0°
CG	CD	CE	HE2	87.1°	59.9°
CG	CD	CE	HE3	22.3°	60.0°
HG2	CG	CD	CE	31.5°	60.0°
HG2	CG	CD	HD2	156.8°	180.0°
HG2	CG	CD	HD3	93.8°	60.0°
HG3	CG	CD	CE	78.1°	60.0°
HG3	CG	CD	HD2	47.2°	60.0°
HG3	CG	CD	HD3	156.7°	179.9°
CE	CD	HD2	HD3	119.1°	120.0°
CD	CE	NZ	HE2	125.3°	120.0°
CD	CE	NZ	HE3	125.3°	119.9°
CD	CE	HE2	HE3	117.6°	119.9°
CD	CE	NZ	CM1	85.2°	60.0°
CD	CE	NZ	CM2	160.1°	60.0°
CD	CE	NZ	CM3	34.7°	180.0°
HD2	CD	CE	NZ	22.4°	60.0°
HD2	CD	CE	HE2	147.7°	179.9°
HD2	CD	CE	HE3	103.0°	60.0°
HD3	CD	CE	NZ	87.2°	60.0°
HD3	CD	CE	HE2	38.2°	60.1°
HD3	CD	CE	HE3	147.5°	180.0°
NZ	CE	HE2	HE3	117.7°	120.1°
CE	NZ	CM1	CM2	121.9°	120.0°
CE	NZ	CM1	CM3	116.1°	120.0°
CE	NZ	CM2	CM3	123.7°	120.0°
CE	NZ	CM1	HM11	180.0°	60.1°
CE	NZ	CM1	HM12	54.7°	59.9°
CE	NZ	CM1	HM13	54.7°	180.0°
CE	NZ	CM2	HM21	180.0°	180.0°
CE	NZ	CM2	HM22	54.7°	60.0°
CE	NZ	CM2	HM23	54.7°	60.0°
CE	NZ	CM3	HM31	180.0°	60.0°
CE	NZ	CM3	HM32	54.7°	60.0°
CE	NZ	CM3	HM33	54.7°	180.0°
HE2	CE	NZ	CM1	40.0°	180.0°
HE2	CE	NZ	CM2	74.7°	60.0°
HE2	CE	NZ	CM3	159.9°	60.0°
HE3	CE	NZ	CM1	149.5°	59.9°
HE3	CE	NZ	CM2	34.8°	180.0°
HE3	CE	NZ	CM3	90.6°	60.0°
CM1	NZ	CM2	CM3	123.2°	120.0°
NZ	CM1	HM11	HM12	125.2°	120.0°
NZ	CM1	HM11	HM13	125.3°	119.9°
NZ	CM1	HM12	HM13	120.6°	120.0°
CM1	NZ	CM2	HM21	67.0°	60.0°
CM1	NZ	CM2	HM22	58.3°	180.0°
CM1	NZ	CM2	HM23	167.8°	60.0°
CM1	NZ	CM3	HM31	66.9°	60.0°
CM1	NZ	CM3	HM32	167.8°	180.0°
CM1	NZ	CM3	HM33	58.4°	60.0°
CM2	NZ	CM1	HM11	58.1°	60.0°
CM2	NZ	CM1	HM12	176.6°	180.0°
CM2	NZ	CM1	HM13	67.2°	59.9°
NZ	CM2	HM21	HM22	125.2°	120.0°
NZ	CM2	HM21	HM23	125.2°	120.0°
NZ	CM2	HM22	HM23	115.6°	120.0°
CM2	NZ	CM3	HM31	51.9°	180.0°
CM2	NZ	CM3	HM32	73.5°	60.0°
CM2	NZ	CM3	HM33	177.2°	60.0°
CM3	NZ	CM1	HM11	63.8°	180.0°
CM3	NZ	CM1	HM12	61.5°	60.0°
CM3	NZ	CM1	HM13	170.8°	60.1°
CM3	NZ	CM2	HM21	56.3°	60.0°
CM3	NZ	CM2	HM22	178.4°	60.0°
CM3	NZ	CM2	HM23	69.0°	180.0°
NZ	CM3	HM31	HM32	125.3°	120.0°
NZ	CM3	HM31	HM33	125.3°	120.0°
NZ	CM3	HM32	HM33	118.7°	120.0°
O	C	OXT	HXT	2.1°	0.1°
HM11	CM1	HM12	HM13	120.6°	120.0°
HM21	CM2	HM22	HM23	115.8°	120.1°
HM31	CM3	HM32	HM33	118.7°	120.0°

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