DMC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.22Å	1.23Å
C	CA	sing	1.41Å	1.57Å
C	OXT	sing	1.35Å	1.53Å
CA	CB1	doub	1.35Å	1.66Å
CA	CB2	sing	1.51Å	1.43Å
CB1	CG	sing	1.47Å	1.72Å
CB1	HB1	sing	1.08Å	1.10Å
CB2	HB21	sing	1.09Å	1.11Å
CB2	HB22	sing	1.09Å	1.12Å
CB2	HB23	sing	1.09Å	1.12Å
CG	CD1	doub	1.41Å	1.37Å	Aromatic
CG	CD2	sing	1.40Å	1.41Å	Aromatic
CD1	CE1	sing	1.38Å	1.39Å	Aromatic
CD1	OH	sing	1.36Å	1.06Å
CE1	CZ	doub	1.39Å	1.41Å	Aromatic
CE1	HE1	sing	1.08Å	1.10Å
CZ	CE2	sing	1.39Å	1.36Å	Aromatic
CZ	N	sing	1.39Å	1.22Å
CE2	CD2	doub	1.36Å	1.34Å	Aromatic
CE2	HE2	sing	1.08Å	1.10Å
CD2	HD2	sing	1.08Å	1.10Å
OH	HO	sing	0.97Å	0.95Å
N	CH1	sing	1.47Å	1.50Å
N	CH2	sing	1.46Å	1.86Å
CH1	CM1	sing	1.53Å	1.28Å
CH1	HH11	sing	1.09Å	1.12Å
CH1	HH12	sing	1.09Å	1.11Å
CH2	CM2	sing	1.53Å	1.77Å
CH2	HH21	sing	1.09Å	1.11Å
CH2	HH22	sing	1.09Å	1.12Å
CM1	HM11	sing	1.09Å	1.12Å
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
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	129.2°	119.9°
O	C	OXT	107.3°	120.0°
CA	C	OXT	123.4°	120.0°
C	CA	CB1	104.4°	120.1°
C	CA	CB2	111.3°	120.0°
C	OXT	HXT	107.3°	106.8°
CB1	CA	CB2	144.2°	119.9°
CA	CB1	CG	123.2°	120.0°
CA	CB1	HB1	116.6°	120.0°
CA	CB2	HB21	111.3°	109.4°
CA	CB2	HB22	111.6°	109.5°
CA	CB2	HB23	111.5°	109.5°
CG	CB1	HB1	120.2°	120.0°
CB1	CG	CD1	116.9°	120.2°
CB1	CG	CD2	123.0°	120.1°
HB21	CB2	HB22	111.5°	109.5°
HB21	CB2	HB23	111.5°	109.4°
HB22	CB2	HB23	98.8°	109.5°
CD1	CG	CD2	120.0°	119.7°
CG	CD1	CE1	117.8°	119.6°
CG	CD1	OH	129.6°	120.2°
CG	CD2	CE2	121.1°	120.1°
CG	CD2	HD2	122.2°	119.9°
CE1	CD1	OH	112.6°	120.2°
CD1	CE1	CZ	121.2°	119.9°
CD1	CE1	HE1	118.6°	120.1°
CD1	OH	HO	129.6°	106.8°
CZ	CE1	HE1	120.1°	120.0°
CE1	CZ	CE2	119.1°	120.3°
CE1	CZ	N	122.2°	119.9°
CE2	CZ	N	118.6°	119.9°
CZ	CE2	CD2	120.7°	120.4°
CZ	CE2	HE2	120.3°	119.8°
CZ	N	CH1	119.1°	120.0°
CZ	N	CH2	107.8°	120.1°
CD2	CE2	HE2	119.0°	119.8°
CE2	CD2	HD2	116.7°	120.0°
CH1	N	CH2	126.2°	120.0°
N	CH1	CM1	168.3°	109.5°
N	CH1	HH11	93.4°	109.4°
N	CH1	HH12	93.4°	109.5°
N	CH2	CM2	125.7°	109.5°
N	CH2	HH21	106.5°	109.5°
N	CH2	HH22	106.5°	109.5°
CM1	CH1	HH11	93.3°	109.5°
CM1	CH1	HH12	93.4°	109.5°
CH1	CM1	HM11	168.4°	109.5°
CH1	CM1	HM12	93.4°	109.5°
CH1	CM1	HM13	93.4°	109.5°
HH11	CH1	HH12	109.3°	109.5°
CM2	CH2	HH21	106.5°	109.5°
CM2	CH2	HH22	106.5°	109.4°
CH2	CM2	HM21	125.7°	109.5°
CH2	CM2	HM22	106.5°	109.5°
CH2	CM2	HM23	106.5°	109.5°
HH21	CH2	HH22	103.1°	109.4°
HM11	CM1	HM12	93.3°	109.5°
HM11	CM1	HM13	93.3°	109.5°
HM12	CM1	HM13	109.1°	109.5°
HM21	CM2	HM22	106.5°	109.5°
HM21	CM2	HM23	106.5°	109.4°
HM22	CM2	HM23	103.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	OXT	179.7°	179.9°
O	C	CA	CB1	180.0°	0.1°
O	C	CA	CB2	2.6°	180.0°
O	C	OXT	HXT	180.0°	0.0°
C	CA	CB1	CB2	175.9°	179.9°
C	CA	CB1	CG	177.8°	171.6°
C	CA	CB1	HB1	2.2°	8.4°
C	CA	CB2	HB21	180.0°	6.6°
C	CA	CB2	HB22	54.7°	126.6°
C	CA	CB2	HB23	54.7°	113.3°
CA	C	OXT	HXT	0.3°	179.9°
OXT	C	CA	CB1	0.2°	180.0°
OXT	C	CA	CB2	177.7°	0.1°
CA	CB1	CG	HB1	180.0°	179.9°
CB1	CA	CB2	HB21	4.2°	173.3°
CB1	CA	CB2	HB22	129.5°	53.3°
CB1	CA	CB2	HB23	121.1°	66.7°
CA	CB1	CG	CD1	179.8°	143.0°
CA	CB1	CG	CD2	3.6°	37.1°
CB2	CA	CB1	CG	1.9°	8.4°
CB2	CA	CB1	HB1	178.1°	171.5°
CA	CB2	HB21	HB22	125.3°	120.0°
CA	CB2	HB21	HB23	125.3°	119.9°
CA	CB2	HB22	HB23	117.4°	120.0°
CB1	CG	CD1	CD2	176.3°	179.9°
CB1	CG	CD1	CE1	176.8°	179.7°
CB1	CG	CD1	OH	2.2°	0.1°
CB1	CG	CD2	CE2	178.1°	179.9°
CB1	CG	CD2	HD2	1.9°	0.0°
HB1	CB1	CG	CD1	0.1°	37.0°
HB1	CB1	CG	CD2	176.3°	142.9°
HB21	CB2	HB22	HB23	117.4°	120.0°
CG	CD1	CE1	OH	179.2°	179.8°
CG	CD1	CE1	CZ	2.0°	0.5°
CG	CD1	CE1	HE1	177.9°	179.9°
CD1	CG	CD2	CE2	2.0°	0.0°
CD1	CG	CD2	HD2	178.0°	180.0°
CG	CD1	OH	HO	180.0°	90.0°
CD2	CG	CD1	CE1	0.5°	0.2°
CD2	CG	CD1	OH	178.5°	180.0°
CG	CD2	CE2	CZ	0.9°	0.1°
CG	CD2	CE2	HD2	180.0°	179.9°
CG	CD2	CE2	HE2	179.2°	180.0°
CD1	CE1	CZ	HE1	180.0°	179.5°
CD1	CE1	CZ	CE2	3.2°	0.6°
CD1	CE1	CZ	N	178.2°	179.8°
CE1	CD1	OH	HO	0.9°	89.8°
OH	CD1	CE1	CZ	178.8°	179.7°
OH	CD1	CE1	HE1	1.2°	0.3°
CE1	CZ	CE2	N	178.6°	179.6°
CE1	CZ	CE2	CD2	1.7°	0.4°
CE1	CZ	CE2	HE2	178.3°	179.8°
CE1	CZ	N	CH1	165.4°	173.6°
CE1	CZ	N	CH2	12.8°	6.3°
HE1	CE1	CZ	CE2	176.8°	180.0°
HE1	CE1	CZ	N	1.8°	0.4°
CZ	CE2	CD2	HE2	180.0°	179.9°
CZ	CE2	CD2	HD2	179.1°	180.0°
CE2	CZ	N	CH1	16.1°	6.8°
CE2	CZ	N	CH2	168.6°	173.3°
N	CZ	CE2	CD2	179.7°	180.0°
N	CZ	CE2	HE2	0.3°	0.2°
CZ	N	CH1	CH2	147.0°	179.9°
CZ	N	CH1	CM1	22.2°	90.1°
CZ	N	CH1	HH11	147.4°	150.0°
CZ	N	CH1	HH12	103.0°	29.9°
CZ	N	CH2	CM2	3.1°	89.8°
CZ	N	CH2	HH21	122.1°	30.2°
CZ	N	CH2	HH22	128.4°	150.2°
HE2	CE2	CD2	HD2	0.8°	0.1°
N	CH1	CM1	HH11	125.2°	120.0°
N	CH1	CM1	HH12	125.2°	120.0°
N	CH1	HH11	HH12	94.8°	120.0°
CH1	N	CH2	CM2	153.2°	90.1°
CH1	N	CH2	HH21	27.9°	149.8°
CH1	N	CH2	HH22	81.6°	29.9°
N	CH1	CM1	HM11	180.0°	180.0°
N	CH1	CM1	HM12	54.7°	60.0°
N	CH1	CM1	HM13	54.7°	60.0°
CH2	N	CH1	CM1	169.2°	90.0°
CH2	N	CH1	HH11	65.5°	30.0°
CH2	N	CH1	HH12	44.0°	150.0°
N	CH2	CM2	HH21	125.3°	120.0°
N	CH2	CM2	HH22	125.2°	120.0°
N	CH2	HH21	HH22	111.9°	120.0°
N	CH2	CM2	HM21	180.0°	179.9°
N	CH2	CM2	HM22	54.7°	60.0°
N	CH2	CM2	HM23	54.7°	60.0°
CM1	CH1	HH11	HH12	94.8°	120.0°
CH1	CM1	HM11	HM12	125.3°	120.0°
CH1	CM1	HM11	HM13	125.3°	120.0°
CH1	CM1	HM12	HM13	94.8°	120.0°
HH11	CH1	CM1	HM11	54.8°	60.0°
HH11	CH1	CM1	HM12	179.9°	60.0°
HH11	CH1	CM1	HM13	70.5°	180.0°
HH12	CH1	CM1	HM11	54.8°	60.0°
HH12	CH1	CM1	HM12	70.5°	180.0°
HH12	CH1	CM1	HM13	179.9°	60.0°
CM2	CH2	HH21	HH22	111.9°	120.0°
CH2	CM2	HM21	HM22	125.3°	120.0°
CH2	CM2	HM21	HM23	125.3°	120.0°
CH2	CM2	HM22	HM23	111.9°	120.0°
HH21	CH2	CM2	HM21	54.7°	59.9°
HH21	CH2	CM2	HM22	180.0°	179.9°
HH21	CH2	CM2	HM23	70.6°	60.0°
HH22	CH2	CM2	HM21	54.8°	60.0°
HH22	CH2	CM2	HM22	70.5°	60.0°
HH22	CH2	CM2	HM23	179.9°	180.0°
HM11	CM1	HM12	HM13	94.6°	120.0°
HM21	CM2	HM22	HM23	111.9°	120.0°

Definition date:	1999-07-08
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	4GCH