R1A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OXT	C	sing	1.35Å	1.22Å
OXT	HXT	sing	0.98Å	0.95Å
C	CA	sing	1.52Å	1.52Å
C	O	doub	1.22Å	34.31Å
CA	N	sing	1.44Å	1.46Å
CA	CB	sing	1.53Å	1.54Å
CA	HA	sing	1.10Å	1.10Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CB	SG	sing	1.81Å	1.77Å
CB	HB2	sing	1.10Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
SG	SD	sing	2.06Å	1.99Å
SD	CE	sing	1.81Å	1.77Å
CE	C3	sing	1.49Å	1.52Å
CE	HE2	sing	1.09Å	1.10Å
CE	HE3	sing	1.09Å	1.10Å
C3	C2	sing	1.51Å	1.51Å
C3	C4	doub	1.34Å	1.34Å
C2	C9	sing	1.52Å	1.53Å
C2	C8	sing	1.52Å	1.53Å
C2	N1	sing	1.49Å	1.46Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C9	H93	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C4	C5	sing	1.50Å	1.51Å
C4	H4	sing	1.08Å	1.08Å
C5	C7	sing	1.52Å	1.52Å
C5	C6	sing	1.52Å	1.53Å
C5	N1	sing	1.49Å	1.46Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C7	H73	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	H63	sing	1.09Å	1.10Å
N1	O1	doub	1.27Å	1.28Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	OXT	HXT	109.5°	112.0°
OXT	C	CA	119.8°	113.3°
OXT	C	O	124.0°	123.0°
CA	C	O	115.7°	123.8°
C	CA	N	110.0°	111.9°
C	CA	CB	111.9°	112.4°
C	CA	HA	107.6°	106.1°
N	CA	CB	109.9°	112.0°
N	CA	HA	109.7°	105.2°
CA	N	H	109.4°	119.0°
CA	N	H2	109.5°	119.0°
CB	CA	HA	107.7°	108.8°
CA	CB	SG	112.9°	113.7°
CA	CB	HB2	107.6°	109.8°
CA	CB	HB3	108.3°	110.4°
H	N	H2	109.5°	120.6°
SG	CB	HB2	107.6°	107.3°
SG	CB	HB3	108.4°	107.6°
CB	SG	SD	109.4°	101.7°
HB2	CB	HB3	112.2°	107.7°
SG	SD	CE	111.3°	101.8°
SD	CE	C3	109.9°	110.0°
SD	CE	HE2	109.2°	109.4°
SD	CE	HE3	109.3°	109.5°
C3	CE	HE2	109.2°	109.8°
C3	CE	HE3	109.3°	109.9°
CE	C3	C2	126.9°	122.0°
CE	C3	C4	121.4°	125.5°
HE2	CE	HE3	109.8°	108.3°
C2	C3	C4	111.6°	112.5°
C3	C2	C9	111.3°	113.6°
C3	C2	C8	111.0°	113.6°
C3	C2	N1	102.1°	99.6°
C3	C4	C5	110.8°	113.2°
C3	C4	H4	124.7°	124.0°
C9	C2	C8	109.2°	113.4°
C9	C2	N1	109.8°	107.6°
C2	C9	H91	109.5°	110.5°
C2	C9	H92	109.5°	110.6°
C2	C9	H93	109.5°	110.6°
C8	C2	N1	113.3°	107.7°
C2	C8	H81	109.5°	110.6°
C2	C8	H82	109.5°	110.5°
C2	C8	H83	109.5°	110.5°
C2	N1	C5	112.9°	114.9°
C2	N1	O1	124.0°	122.6°
H91	C9	H92	109.5°	108.4°
H91	C9	H93	109.5°	108.3°
H92	C9	H93	109.4°	108.4°
H81	C8	H82	109.5°	108.4°
H81	C8	H83	109.4°	108.3°
H82	C8	H83	109.5°	108.4°
C5	C4	H4	124.6°	122.9°
C4	C5	C7	109.1°	113.1°
C4	C5	C6	109.3°	113.0°
C4	C5	N1	102.5°	99.8°
C7	C5	C6	111.4°	113.2°
C7	C5	N1	112.8°	108.4°
C5	C7	H71	109.5°	110.6°
C5	C7	H72	109.5°	110.6°
C5	C7	H73	109.5°	110.6°
C6	C5	N1	111.3°	108.4°
C5	C6	H61	109.4°	110.5°
C5	C6	H62	109.5°	110.6°
C5	C6	H63	109.5°	110.5°
C5	N1	O1	123.1°	122.5°
H71	C7	H72	109.5°	108.3°
H71	C7	H73	109.5°	108.3°
H72	C7	H73	109.5°	108.3°
H61	C6	H62	109.5°	108.4°
H61	C6	H63	109.5°	108.4°
H62	C6	H63	109.5°	108.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OXT	C	CA	O	171.7°	179.3°
OXT	C	CA	N	137.7°	175.0°
OXT	C	CA	CB	99.9°	58.0°
OXT	C	CA	HA	18.2°	60.7°
HXT	OXT	C	CA	170.9°	179.3°
HXT	OXT	C	O	0.0°	0.0°
C	CA	N	CB	123.6°	127.2°
C	CA	N	HA	118.2°	114.8°
C	CA	CB	HA	118.0°	117.2°
C	CA	N	H	98.9°	69.4°
C	CA	N	H2	141.1°	124.0°
C	CA	CB	SG	52.8°	59.7°
C	CA	CB	HB2	65.8°	180.0°
C	CA	CB	HB3	172.8°	61.4°
O	C	CA	N	50.6°	5.8°
O	C	CA	CB	71.8°	121.2°
O	C	CA	HA	170.1°	120.0°
N	CA	CB	HA	119.5°	115.9°
CA	N	H	H2	120.0°	166.3°
N	CA	CB	SG	175.3°	67.2°
N	CA	CB	HB2	56.7°	53.0°
N	CA	CB	HB3	64.7°	171.6°
CB	CA	N	H	137.5°	163.3°
CB	CA	N	H2	17.5°	3.2°
CA	CB	SG	HB2	118.5°	121.7°
CA	CB	SG	HB3	120.0°	122.7°
CA	CB	HB2	HB3	119.0°	120.3°
CA	CB	SG	SD	80.0°	180.0°
HA	CA	N	H	19.2°	45.3°
HA	CA	N	H2	100.7°	121.2°
HA	CA	CB	SG	65.3°	176.9°
HA	CA	CB	HB2	176.2°	62.9°
HA	CA	CB	HB3	54.7°	55.8°
SG	CB	HB2	HB3	119.1°	115.6°
CB	SG	SD	CE	77.0°	90.0°
HB2	CB	SG	SD	161.5°	58.3°
HB3	CB	SG	SD	40.0°	57.3°
SG	SD	CE	C3	163.0°	180.0°
SG	SD	CE	HE2	43.2°	59.4°
SG	SD	CE	HE3	77.0°	59.1°
SD	CE	C3	HE2	119.8°	120.4°
SD	CE	C3	HE3	120.0°	120.6°
SD	CE	HE2	HE3	119.9°	119.2°
SD	CE	C3	C2	92.4°	89.6°
SD	CE	C3	C4	88.4°	90.4°
C3	CE	HE2	HE3	119.9°	120.0°
CE	C3	C2	C4	179.3°	180.0°
CE	C3	C2	C9	63.9°	65.8°
CE	C3	C2	C8	58.1°	65.9°
CE	C3	C2	N1	179.1°	179.9°
CE	C3	C4	C5	177.1°	180.0°
CE	C3	C4	H4	2.9°	0.0°
HE2	CE	C3	C2	147.8°	150.0°
HE2	CE	C3	C4	31.4°	30.0°
HE3	CE	C3	C2	27.7°	31.0°
HE3	CE	C3	C4	151.6°	149.1°
C3	C2	C9	C8	123.0°	131.8°
C3	C2	C9	N1	112.3°	109.3°
C3	C2	C8	N1	114.2°	109.3°
C3	C2	C9	H91	21.3°	84.6°
C3	C2	C9	H92	141.4°	155.4°
C3	C2	C9	H93	98.7°	35.3°
C3	C2	C8	H81	41.3°	63.5°
C3	C2	C8	H82	161.3°	56.6°
C3	C2	C8	H83	78.6°	176.6°
C2	C3	C4	C5	2.2°	0.0°
C2	C3	C4	H4	177.8°	180.0°
C3	C2	N1	C5	2.0°	0.2°
C3	C2	N1	O1	178.3°	180.0°
C4	C3	C2	C9	116.9°	114.3°
C4	C3	C2	C8	121.2°	114.1°
C4	C3	C2	N1	0.2°	0.1°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C7	123.1°	114.8°
C3	C4	C5	C6	114.9°	114.9°
C3	C4	C5	N1	3.3°	0.1°
C9	C2	C8	N1	122.7°	118.9°
C2	C9	H91	H92	120.0°	121.3°
C2	C9	H91	H93	120.0°	121.3°
C2	C9	H92	H93	120.0°	121.4°
C9	C2	C8	H81	81.8°	68.3°
C9	C2	C8	H82	38.2°	171.6°
C9	C2	C8	H83	158.2°	51.6°
C9	C2	N1	C5	120.2°	118.9°
C9	C2	N1	O1	60.1°	61.2°
C8	C2	C9	H91	144.3°	47.2°
C8	C2	C9	H92	95.7°	72.8°
C8	C2	C9	H93	24.3°	167.1°
C2	C8	H81	H82	120.0°	121.3°
C2	C8	H81	H83	120.0°	121.2°
C2	C8	H82	H83	120.0°	121.3°
C8	C2	N1	C5	117.4°	118.6°
C8	C2	N1	O1	62.3°	61.3°
N1	C2	C9	H91	90.9°	166.1°
N1	C2	C9	H92	29.1°	46.1°
N1	C2	C9	H93	149.1°	73.9°
N1	C2	C8	H81	155.5°	172.7°
N1	C2	C8	H82	84.5°	52.7°
N1	C2	C8	H83	35.5°	67.3°
C2	N1	C5	C4	3.2°	0.1°
C2	N1	C5	C7	120.4°	118.3°
C2	N1	C5	C6	113.5°	118.5°
C2	N1	C5	O1	179.7°	179.9°
H91	C9	H92	H93	120.0°	117.3°
H81	C8	H82	H83	120.0°	117.4°
C4	C5	C7	C6	120.7°	130.2°
C4	C5	C7	N1	113.2°	109.6°
C4	C5	C6	N1	112.5°	109.6°
C4	C5	C7	H71	55.5°	1.1°
C4	C5	C7	H72	175.5°	121.1°
C4	C5	C7	H73	64.5°	118.9°
C4	C5	C6	H61	1.3°	94.9°
C4	C5	C6	H62	121.3°	25.1°
C4	C5	C6	H63	118.7°	145.0°
C4	C5	N1	O1	177.1°	180.0°
H4	C4	C5	C7	56.9°	65.2°
H4	C4	C5	C6	65.1°	65.1°
H4	C4	C5	N1	176.7°	179.9°
C7	C5	C6	N1	126.9°	120.2°
C5	C7	H71	H72	120.0°	121.3°
C5	C7	H71	H73	120.0°	121.4°
C5	C7	H72	H73	120.0°	121.4°
C7	C5	C6	H61	121.9°	35.2°
C7	C5	C6	H62	118.1°	155.2°
C7	C5	C6	H63	1.9°	84.8°
C7	C5	N1	O1	59.9°	61.6°
C6	C5	C7	H71	65.2°	129.0°
C6	C5	C7	H72	54.8°	9.1°
C6	C5	C7	H73	174.8°	111.0°
C5	C6	H61	H62	120.0°	121.3°
C5	C6	H61	H63	120.0°	121.3°
C5	C6	H62	H63	120.0°	121.3°
C6	C5	N1	O1	66.2°	61.6°
N1	C5	C7	H71	168.7°	110.7°
N1	C5	C7	H72	71.3°	129.3°
N1	C5	C7	H73	48.7°	9.3°
N1	C5	C6	H61	111.2°	155.5°
N1	C5	C6	H62	8.8°	84.5°
N1	C5	C6	H63	128.8°	35.5°
H71	C7	H72	H73	120.0°	117.3°
H61	C6	H62	H63	120.0°	117.4°

Definition date:	2005-06-03
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB