OIC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.48Å	1.45Å
N	CD	sing	1.48Å	1.44Å
N	H	sing	1.01Å	1.00Å
CA	C	sing	1.51Å	1.50Å
CA	CB	sing	1.54Å	1.55Å
CA	HA	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.25Å
C	OXT	sing	1.34Å	1.36Å
OXT	HXT	sing	0.97Å	0.95Å
CB	CG	sing	1.55Å	1.55Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
CG	CD	sing	1.54Å	1.56Å
CG	C4	sing	1.53Å	1.56Å
CG	HG	sing	1.09Å	1.10Å
CD	C7	sing	1.51Å	1.55Å
CD	HD	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.56Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.56Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	C7	sing	1.53Å	1.56Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	CD	111.3°	105.1°
CA	N	H	108.8°	111.0°
N	CA	C	112.8°	109.9°
N	CA	CB	100.9°	107.0°
N	CA	HA	116.1°	109.9°
CD	N	H	108.9°	111.0°
N	CD	CG	103.9°	104.0°
N	CD	C7	114.1°	112.9°
N	CD	HD	111.3°	109.0°
C	CA	CB	117.3°	109.9°
C	CA	HA	99.2°	110.0°
CA	C	O	120.3°	120.0°
CA	C	OXT	121.3°	120.0°
CB	CA	HA	111.4°	110.1°
CA	CB	CG	107.0°	104.9°
CA	CB	HB2	110.3°	110.4°
CA	CB	HB3	110.3°	110.4°
O	C	OXT	118.4°	120.0°
C	OXT	HXT	109.5°	117.0°
CG	CB	HB2	110.3°	110.4°
CG	CB	HB3	110.3°	110.3°
CB	CG	CD	104.2°	101.7°
CB	CG	C4	114.8°	106.6°
CB	CG	HG	111.5°	112.4°
HB2	CB	HB3	108.6°	110.4°
CD	CG	C4	114.6°	110.6°
CD	CG	HG	111.7°	112.2°
CG	CD	C7	112.5°	113.3°
CG	CD	HD	113.0°	109.0°
C4	CG	HG	100.3°	112.6°
CG	C4	C5	109.0°	110.8°
CG	C4	H41	109.6°	109.2°
CG	C4	H42	109.6°	109.2°
C7	CD	HD	102.5°	108.4°
CD	C7	C6	113.0°	111.4°
CD	C7	H71	108.3°	109.1°
CD	C7	H72	108.3°	109.1°
C5	C4	H41	109.6°	109.2°
C5	C4	H42	109.6°	109.2°
C4	C5	C6	112.1°	108.6°
C4	C5	H51	108.6°	109.6°
C4	C5	H52	108.6°	109.6°
H41	C4	H42	109.3°	109.2°
C6	C5	H51	108.6°	109.6°
C6	C5	H52	108.6°	109.6°
C5	C6	C7	113.2°	108.3°
C5	C6	H61	108.3°	109.7°
C5	C6	H62	108.3°	109.7°
H51	C5	H52	110.3°	109.8°
C7	C6	H61	108.2°	109.7°
C7	C6	H62	108.3°	109.7°
C6	C7	H71	108.3°	109.1°
C6	C7	H72	108.3°	109.1°
H61	C6	H62	110.7°	109.7°
H71	C7	H72	110.6°	109.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	CD	H	120.0°	120.1°
N	CA	C	CB	116.5°	117.6°
N	CA	C	HA	123.5°	121.1°
N	CA	CB	HA	123.8°	119.4°
N	CA	C	O	119.6°	18.5°
N	CA	C	OXT	59.2°	161.5°
N	CA	CB	CG	24.5°	0.4°
N	CA	CB	HB2	144.5°	119.3°
N	CA	CB	HB3	95.5°	118.5°
CA	N	CD	CG	34.1°	40.5°
CA	N	CD	C7	88.7°	163.8°
CA	N	CD	HD	155.9°	75.6°
CD	N	CA	C	88.9°	144.1°
CD	N	CA	CB	37.0°	24.8°
CD	N	CA	HA	157.5°	94.7°
N	CD	CG	CB	15.4°	39.6°
N	CD	CG	C7	123.9°	123.0°
N	CD	CG	HD	120.7°	116.2°
N	CD	CG	C4	141.7°	73.4°
N	CD	CG	HG	105.1°	160.0°
N	CD	C7	HD	120.4°	120.9°
N	CD	C7	C6	173.5°	65.2°
N	CD	C7	H71	66.5°	174.4°
N	CD	C7	H72	53.5°	55.3°
H	N	CA	C	151.1°	95.9°
H	N	CA	CB	83.0°	144.8°
H	N	CA	HA	37.5°	25.3°
H	N	CD	CG	85.9°	160.6°
H	N	CD	C7	151.3°	76.1°
H	N	CD	HD	35.9°	44.4°
C	CA	CB	HA	113.4°	121.2°
CA	C	O	OXT	178.9°	180.0°
CA	C	OXT	HXT	178.8°	179.9°
C	CA	CB	CG	98.3°	119.0°
C	CA	CB	HB2	21.7°	0.1°
C	CA	CB	HB3	141.7°	122.2°
CB	CA	C	O	3.0°	99.0°
CB	CA	C	OXT	175.8°	81.0°
CA	CB	CG	HB2	120.0°	118.9°
CA	CB	CG	HB3	120.0°	118.9°
CA	CB	HB2	HB3	121.0°	122.2°
CA	CB	CG	CD	5.9°	23.9°
CA	CB	CG	C4	120.3°	92.1°
CA	CB	CG	HG	126.5°	144.1°
HA	CA	C	O	117.0°	139.7°
HA	CA	C	OXT	64.2°	40.3°
HA	CA	CB	CG	148.3°	119.8°
HA	CA	CB	HB2	91.7°	121.3°
HA	CA	CB	HB3	28.3°	1.0°
O	C	OXT	HXT	0.0°	0.0°
CG	CB	HB2	HB3	121.0°	122.2°
CB	CG	CD	C4	126.3°	113.0°
CB	CG	CD	HG	120.5°	120.3°
CB	CG	C4	HG	119.6°	123.7°
CB	CG	CD	C7	108.5°	162.6°
CB	CG	CD	HD	136.0°	76.5°
CB	CG	C4	C5	160.0°	164.1°
CB	CG	C4	H41	40.0°	43.7°
CB	CG	C4	H42	80.0°	75.6°
HB2	CB	CG	CD	125.9°	142.8°
HB2	CB	CG	C4	0.3°	26.9°
HB2	CB	CG	HG	113.5°	97.0°
HB3	CB	CG	CD	114.1°	94.9°
HB3	CB	CG	C4	119.7°	149.1°
HB3	CB	CG	HG	6.5°	25.2°
CD	CG	C4	HG	119.8°	126.4°
CG	CD	C7	HD	121.6°	121.2°
CD	CG	C4	C5	39.4°	54.2°
CD	CG	C4	H41	80.6°	66.2°
CD	CG	C4	H42	159.4°	174.6°
CG	CD	C7	C6	55.5°	52.8°
CG	CD	C7	H71	175.6°	67.7°
CG	CD	C7	H72	64.5°	173.3°
C4	CG	CD	C7	17.8°	49.6°
C4	CG	CD	HD	97.7°	170.5°
CG	C4	C5	H41	120.0°	120.3°
CG	C4	C5	H42	120.0°	120.3°
CG	C4	H41	H42	120.2°	119.3°
CG	C4	C5	C6	63.3°	62.1°
CG	C4	C5	H51	176.8°	178.2°
CG	C4	C5	H52	56.8°	57.6°
HG	CG	CD	C7	131.0°	77.0°
HG	CG	CD	HD	15.6°	43.8°
HG	CG	C4	C5	80.4°	72.2°
HG	CG	C4	H41	159.6°	167.4°
HG	CG	C4	H42	39.6°	48.2°
CD	C7	C6	C5	32.1°	59.1°
CD	C7	C6	H71	120.0°	120.5°
CD	C7	C6	H72	120.0°	120.5°
CD	C7	C6	H61	152.1°	60.6°
CD	C7	C6	H62	87.9°	178.8°
CD	C7	H71	H72	118.5°	119.1°
HD	CD	C7	C6	66.1°	174.0°
HD	CD	C7	H71	53.9°	53.5°
HD	CD	C7	H72	173.9°	65.5°
C5	C4	H41	H42	120.2°	119.4°
C4	C5	C6	H51	120.0°	119.7°
C4	C5	C6	H52	120.0°	119.7°
C4	C5	H51	H52	118.9°	120.5°
C4	C5	C6	C7	26.6°	63.5°
C4	C5	C6	H61	93.4°	56.2°
C4	C5	C6	H62	146.6°	176.8°
H41	C4	C5	C6	56.7°	58.2°
H41	C4	C5	H51	63.2°	61.5°
H41	C4	C5	H52	176.8°	177.9°
H42	C4	C5	C6	176.8°	177.6°
H42	C4	C5	H51	56.8°	57.9°
H42	C4	C5	H52	63.2°	62.7°
C6	C5	H51	H52	119.0°	120.5°
C5	C6	C7	H61	120.0°	119.7°
C5	C6	C7	H62	120.0°	119.7°
C5	C6	H61	H62	118.5°	120.6°
C5	C6	C7	H71	152.1°	61.4°
C5	C6	C7	H72	87.9°	179.6°
H51	C5	C6	C7	146.5°	176.8°
H51	C5	C6	H61	26.6°	63.5°
H51	C5	C6	H62	93.4°	57.1°
H52	C5	C6	C7	93.4°	56.2°
H52	C5	C6	H61	146.6°	175.9°
H52	C5	C6	H62	26.6°	63.5°
C7	C6	H61	H62	118.5°	120.5°
C6	C7	H71	H72	118.6°	119.0°
H61	C6	C7	H71	87.9°	178.9°
H61	C6	C7	H72	32.1°	59.9°
H62	C6	C7	H71	32.1°	58.3°
H62	C6	C7	H72	152.1°	60.7°

Definition date:	1999-07-08
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	1BDK