8AY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	CA	sing	1.51Å	1.53Å
C	O	doub	1.21Å	1.23Å
CA	N	sing	1.47Å	1.45Å
CA	CB	sing	1.53Å	1.54Å
CB	C7	sing	1.51Å	1.48Å
N1	C7	doub	1.28Å	1.29Å	Aromatic
N1	C6	sing	1.35Å	1.39Å	Aromatic
C7	S	sing	1.71Å	1.74Å	Aromatic
C29	C6	doub	1.41Å	1.39Å	Aromatic
C29	C30	sing	1.36Å	1.39Å	Aromatic
C6	C5	sing	1.40Å	1.40Å	Aromatic
S	C5	sing	1.76Å	1.74Å	Aromatic
C30	C3	doub	1.39Å	1.40Å	Aromatic
C5	C4	doub	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.40Å	Aromatic
C3	C1	sing	1.51Å	1.52Å
C2	C1	sing	1.53Å	1.52Å
C1	C8	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C4	H8	sing	1.08Å	1.08Å
N	H	sing	1.01Å	1.00Å
CB	HB1	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CA	HA	sing	1.09Å	1.10Å
C29	H33	sing	1.08Å	1.08Å
C30	H34	sing	1.08Å	1.08Å
C8	H35	sing	1.09Å	1.10Å
C8	H36	sing	1.09Å	1.10Å
C8	H37	sing	1.09Å	1.10Å
C	OXT	sing	1.34Å	1.34Å
OXT	HXT	sing	0.97Å	0.95Å
N	H2	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	C	O	120.7°	120.1°
C	CA	N	109.8°	109.4°
C	CA	CB	110.2°	109.5°
C	CA	HA	108.5°	109.5°
CA	C	OXT	116.3°	120.0°
O	C	OXT	122.9°	120.0°
N	CA	CB	110.3°	109.5°
CA	N	H	109.5°	111.0°
N	CA	HA	109.5°	109.5°
CA	N	H2	109.5°	111.1°
CA	CB	C7	117.2°	109.5°
CA	CB	HB1	107.5°	109.4°
CA	CB	HB2	107.5°	109.5°
CB	CA	HA	108.4°	109.5°
CB	C7	N1	126.3°	124.3°
CB	C7	S	117.5°	124.2°
C7	CB	HB1	107.5°	109.5°
C7	CB	HB2	107.5°	109.5°
C7	N1	C6	110.6°	117.9°
N1	C7	S	116.2°	111.5°
N1	C6	C29	126.1°	129.7°
N1	C6	C5	114.8°	111.8°
C7	S	C5	88.9°	90.8°
C6	C29	C30	119.4°	120.5°
C29	C6	C5	119.1°	118.5°
C6	C29	H33	120.3°	119.7°
C29	C30	C3	121.6°	120.8°
C30	C29	H33	120.3°	119.8°
C29	C30	H34	119.2°	119.6°
C6	C5	S	109.5°	108.0°
C6	C5	C4	121.8°	120.3°
S	C5	C4	128.7°	131.7°
C30	C3	C4	119.4°	120.0°
C30	C3	C1	119.8°	120.0°
C3	C30	H34	119.2°	119.6°
C5	C4	C3	118.8°	120.0°
C5	C4	H8	120.6°	120.0°
C4	C3	C1	120.7°	120.0°
C3	C4	H8	120.6°	120.0°
C3	C1	C2	113.3°	109.4°
C3	C1	C8	113.8°	109.5°
C3	C1	H1	106.0°	109.5°
C2	C1	C8	111.1°	109.5°
C2	C1	H1	106.0°	109.5°
C1	C2	H3	109.5°	109.5°
C1	C2	H4	109.5°	109.5°
C1	C2	H5	109.5°	109.5°
C8	C1	H1	105.9°	109.5°
C1	C8	H35	109.5°	109.5°
C1	C8	H36	109.5°	109.5°
C1	C8	H37	109.5°	109.5°
H3	C2	H4	109.5°	109.4°
H3	C2	H5	109.4°	109.5°
H4	C2	H5	109.5°	109.5°
H	N	H2	109.4°	110.9°
HB1	CB	HB2	109.5°	109.5°
H35	C8	H36	109.5°	109.5°
H35	C8	H37	109.4°	109.4°
H36	C8	H37	109.5°	109.5°
C	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	C	O	OXT	177.9°	180.0°
C	CA	N	CB	121.6°	120.0°
C	CA	N	HA	119.1°	120.0°
C	CA	CB	HA	118.7°	120.0°
C	CA	CB	C7	178.0°	175.0°
C	CA	N	H	180.0°	63.9°
C	CA	CB	HB1	60.9°	55.0°
C	CA	CB	HB2	56.9°	65.0°
CA	C	OXT	HXT	177.9°	180.0°
C	CA	N	H2	60.0°	60.0°
O	C	CA	N	92.4°	20.0°
O	C	CA	CB	29.3°	100.0°
O	C	CA	HA	147.9°	140.0°
O	C	OXT	HXT	0.0°	0.0°
N	CA	CB	HA	119.9°	120.0°
N	CA	CB	C7	60.6°	65.0°
CA	N	H	H2	120.0°	124.0°
N	CA	CB	HB1	60.5°	175.0°
N	CA	CB	HB2	178.3°	55.0°
N	CA	C	OXT	85.5°	160.0°
CA	CB	C7	HB1	121.1°	120.0°
CA	CB	C7	HB2	121.1°	120.0°
CA	CB	C7	N1	105.2°	90.0°
CA	CB	C7	S	73.9°	90.0°
CB	CA	N	H	58.4°	176.1°
CA	CB	HB1	HB2	116.5°	120.0°
CB	CA	C	OXT	152.7°	80.0°
CB	CA	N	H2	178.3°	60.0°
CB	C7	N1	S	179.1°	180.0°
CB	C7	N1	C6	179.1°	180.0°
CB	C7	S	C5	178.7°	179.9°
C7	CB	HB1	HB2	116.5°	120.0°
C7	CB	CA	HA	59.3°	55.0°
C7	N1	C6	C29	176.8°	180.0°
C7	N1	C6	C5	0.7°	0.0°
N1	C7	S	C5	0.5°	0.0°
N1	C7	CB	HB1	133.7°	150.1°
N1	C7	CB	HB2	15.9°	30.0°
C6	N1	C7	S	0.0°	0.0°
N1	C6	C29	C5	177.4°	180.0°
N1	C6	C29	C30	177.2°	179.7°
N1	C6	C5	S	1.1°	0.0°
N1	C6	C5	C4	178.9°	179.9°
N1	C6	C29	H33	2.8°	0.1°
C7	S	C5	C6	0.9°	0.0°
C7	S	C5	C4	178.5°	179.9°
S	C7	CB	HB1	47.2°	30.0°
S	C7	CB	HB2	165.0°	150.0°
C6	C29	C30	H33	180.0°	179.9°
C29	C6	C5	S	176.6°	180.0°
C6	C29	C30	C3	0.7°	0.4°
C29	C6	C5	C4	1.2°	0.0°
C6	C29	C30	H34	179.3°	180.0°
C30	C29	C6	C5	0.2°	0.2°
C29	C30	C3	H34	180.0°	179.6°
C29	C30	C3	C4	0.2°	0.4°
C29	C30	C3	C1	175.7°	179.7°
C6	C5	S	C4	177.6°	179.9°
C6	C5	C4	C3	2.1°	0.0°
C6	C5	C4	H8	177.9°	180.0°
C5	C6	C29	H33	179.8°	179.9°
S	C5	C4	C3	175.2°	179.9°
S	C5	C4	H8	4.8°	0.1°
C30	C3	C4	C5	1.6°	0.2°
C30	C3	C4	C1	175.9°	179.8°
C30	C3	C1	C2	78.1°	59.8°
C30	C3	C1	C8	153.7°	60.2°
C30	C3	C1	H1	37.7°	179.8°
C30	C3	C4	H8	178.4°	179.8°
C3	C30	C29	H33	179.3°	179.7°
C5	C4	C3	H8	180.0°	180.0°
C5	C4	C3	C1	174.3°	179.9°
C4	C3	C1	C2	106.0°	120.0°
C4	C3	C1	C8	22.2°	120.0°
C4	C3	C1	H1	138.2°	0.1°
C4	C3	C30	H34	179.8°	180.0°
C3	C1	C2	C8	129.6°	120.0°
C3	C1	C2	H1	115.8°	120.0°
C3	C1	C8	H1	116.0°	120.0°
C3	C1	C2	H3	180.0°	60.0°
C3	C1	C2	H4	60.0°	60.0°
C3	C1	C2	H5	60.0°	180.0°
C1	C3	C4	H8	5.7°	0.0°
C1	C3	C30	H34	4.2°	0.1°
C3	C1	C8	H35	180.0°	180.0°
C3	C1	C8	H36	60.0°	60.0°
C3	C1	C8	H37	60.0°	60.0°
C2	C1	C8	H1	114.6°	120.0°
C1	C2	H3	H4	120.0°	120.0°
C1	C2	H3	H5	120.0°	120.0°
C1	C2	H4	H5	120.0°	120.0°
C2	C1	C8	H35	50.7°	60.0°
C2	C1	C8	H36	69.4°	180.0°
C2	C1	C8	H37	170.6°	60.0°
C8	C1	C2	H3	50.4°	60.0°
C8	C1	C2	H4	170.4°	180.0°
C8	C1	C2	H5	69.6°	60.0°
C1	C8	H35	H36	120.0°	120.0°
C1	C8	H35	H37	120.0°	120.0°
C1	C8	H36	H37	120.0°	120.1°
H1	C1	C2	H3	64.2°	180.0°
H1	C1	C2	H4	55.8°	60.0°
H1	C1	C2	H5	175.8°	60.0°
H1	C1	C8	H35	64.0°	60.0°
H1	C1	C8	H36	176.0°	60.0°
H1	C1	C8	H37	56.0°	180.0°
H3	C2	H4	H5	120.0°	120.0°
H	N	CA	HA	60.9°	56.0°
HB1	CB	CA	HA	179.6°	65.0°
HB2	CB	CA	HA	61.8°	175.0°
HA	CA	C	OXT	34.1°	40.0°
HA	CA	N	H2	59.0°	179.9°
H33	C29	C30	H34	0.7°	0.1°
H35	C8	H36	H37	120.0°	120.0°

Release date:	2017-11-01
Definition date:	2017-01-17
Last modified:	2017-10-27
Release status:	REL
Processing site:	RCSB
Derived from:	5UFI