IYR

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	1.52Å
CA	C	sing	1.51Å	1.50Å
CA	HA	sing	1.09Å	1.12Å
CB	CC	sing	1.51Å	1.42Å
CB	HB2	sing	1.09Å	1.11Å
CB	HB3	sing	1.09Å	1.11Å
CC	CD	doub	1.38Å	1.33Å	Aromatic
CC	CH	sing	1.38Å	1.38Å	Aromatic
CD	CE	sing	1.38Å	1.32Å	Aromatic
CD	HD	sing	1.08Å	1.10Å
CE	IE	sing	2.09Å	1.98Å
CE	CF	doub	1.39Å	1.36Å	Aromatic
CF	OF	sing	1.36Å	1.43Å
CF	CG	sing	1.39Å	1.37Å	Aromatic
OF	HF	sing	0.97Å	0.95Å
CG	CH	doub	1.38Å	1.39Å	Aromatic
CG	HG	sing	1.08Å	1.10Å
CH	HH	sing	1.08Å	1.10Å
C	O	doub	1.21Å	1.24Å
C	OXT	sing	1.34Å	1.23Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H	113.4°	106.7°
CA	N	H2	110.7°	106.7°
N	CA	CB	113.4°	109.5°
N	CA	C	110.3°	109.5°
N	CA	HA	105.3°	109.4°
H	N	H2	110.8°	106.7°
CB	CA	C	106.7°	109.5°
CB	CA	HA	109.1°	109.5°
CA	CB	CC	98.7°	109.5°
CA	CB	HB2	116.4°	109.4°
CA	CB	HB3	116.3°	109.5°
C	CA	HA	112.2°	109.5°
CA	C	O	120.3°	120.0°
CA	C	OXT	119.2°	120.0°
CC	CB	HB2	116.4°	109.5°
CC	CB	HB3	116.3°	109.5°
CB	CC	CD	117.7°	120.0°
CB	CC	CH	122.1°	119.9°
HB2	CB	HB3	94.1°	109.5°
CD	CC	CH	120.2°	120.1°
CC	CD	CE	120.6°	120.1°
CC	CD	HD	120.1°	119.9°
CC	CH	CG	119.2°	120.0°
CC	CH	HH	119.8°	119.9°
CE	CD	HD	119.3°	120.0°
CD	CE	IE	116.1°	120.0°
CD	CE	CF	122.6°	119.9°
IE	CE	CF	121.3°	120.0°
CE	CF	OF	120.2°	120.1°
CE	CF	CG	118.4°	119.9°
OF	CF	CG	121.4°	120.0°
CF	OF	HF	120.2°	106.8°
CF	CG	CH	119.1°	119.9°
CF	CG	HG	119.7°	120.1°
CH	CG	HG	121.2°	120.0°
CG	CH	HH	121.0°	120.0°
O	C	OXT	120.5°	120.0°
C	OXT	HXT	119.2°	120.0°

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	121.6°	120.0°
N	CA	CB	HA	117.0°	120.0°
N	CA	C	HA	117.1°	120.0°
N	CA	CB	CC	122.3°	60.0°
N	CA	CB	HB2	3.0°	60.0°
N	CA	CB	HB3	112.5°	180.0°
N	CA	C	O	93.4°	29.9°
N	CA	C	OXT	87.3°	149.9°
H	N	CA	CB	180.0°	53.7°
H	N	CA	C	60.5°	173.7°
H	N	CA	HA	60.8°	66.3°
H2	N	CA	CB	54.8°	60.1°
H2	N	CA	C	174.3°	60.0°
H2	N	CA	HA	64.4°	179.9°
CB	CA	C	HA	119.4°	120.0°
CA	CB	CC	HB2	125.3°	119.9°
CA	CB	CC	HB3	125.2°	120.0°
CA	CB	HB2	HB3	122.1°	120.0°
CA	CB	CC	CD	56.0°	90.3°
CA	CB	CC	CH	124.8°	90.0°
CB	CA	C	O	143.1°	90.1°
CB	CA	C	OXT	36.2°	90.0°
C	CA	CB	CC	116.1°	180.0°
C	CA	CB	HB2	118.6°	60.0°
C	CA	CB	HB3	9.1°	59.9°
CA	C	O	OXT	179.3°	179.8°
CA	C	OXT	HXT	179.9°	180.0°
HA	CA	CB	CC	5.3°	60.0°
HA	CA	CB	HB2	120.0°	180.0°
HA	CA	CB	HB3	130.5°	60.0°
HA	CA	C	O	23.7°	149.9°
HA	CA	C	OXT	155.6°	29.9°
CC	CB	HB2	HB3	122.1°	120.1°
CB	CC	CD	CH	179.3°	179.7°
CB	CC	CD	CE	179.8°	179.8°
CB	CC	CD	HD	0.2°	0.2°
CB	CC	CH	CG	179.8°	180.0°
CB	CC	CH	HH	0.2°	0.0°
HB2	CB	CC	CD	69.3°	149.8°
HB2	CB	CC	CH	109.9°	30.0°
HB3	CB	CC	CD	178.8°	29.7°
HB3	CB	CC	CH	0.4°	150.0°
CC	CD	CE	HD	180.0°	179.5°
CC	CD	CE	IE	179.4°	179.8°
CC	CD	CE	CF	0.7°	0.5°
CD	CC	CH	CG	1.0°	0.2°
CD	CC	CH	HH	179.1°	179.8°
CH	CC	CD	CE	0.9°	0.5°
CH	CC	CD	HD	179.1°	180.0°
CC	CH	CG	CF	0.8°	0.0°
CC	CH	CG	HH	180.0°	180.0°
CC	CH	CG	HG	179.2°	179.9°
CD	CE	IE	CF	178.7°	179.7°
CD	CE	CF	OF	179.7°	179.8°
CD	CE	CF	CG	0.6°	0.3°
HD	CD	CE	IE	0.6°	0.3°
HD	CD	CE	CF	179.3°	179.9°
IE	CE	CF	OF	1.7°	0.1°
IE	CE	CF	CG	179.1°	180.0°
CE	CF	OF	CG	179.1°	179.9°
CE	CF	OF	HF	179.9°	90.0°
CE	CF	CG	CH	0.6°	0.1°
CE	CF	CG	HG	179.4°	179.9°
OF	CF	CG	CH	179.7°	180.0°
OF	CF	CG	HG	0.2°	0.0°
CG	CF	OF	HF	0.8°	90.1°
CF	CG	CH	HG	180.0°	180.0°
CF	CG	CH	HH	179.2°	180.0°
HG	CG	CH	HH	0.8°	0.1°
O	C	OXT	HXT	0.7°	0.2°

Definition date:	1999-07-08
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	1CF0