0YT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.53Å
C2	N2	sing	1.46Å	1.45Å
C2	C3	sing	1.53Å	1.55Å
C2	H3	sing	1.09Å	1.10Å
N2	H4	sing	0.97Å	1.00Å
C7	C8	sing	1.51Å	1.53Å
C7	N2	sing	1.35Å	1.38Å
O7	C7	doub	1.21Å	1.19Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
O3	C3	sing	1.43Å	1.43Å
O3	H9	sing	0.97Å	0.95Å
C4	C3	sing	1.53Å	1.55Å
C4	O4	sing	1.43Å	1.37Å
C4	C5	sing	1.53Å	1.52Å
C4	H10	sing	1.09Å	1.10Å
O4	H11	sing	0.97Å	0.95Å
C5	H12	sing	1.09Å	1.10Å
C6	C5	sing	1.53Å	1.53Å
C6	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
O6	C6	sing	1.43Å	1.37Å
O6	H15	sing	0.97Å	0.95Å
S5	C1	sing	1.82Å	1.81Å
S5	C5	sing	1.82Å	1.76Å
C1	O1	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.10Å
O1	H2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	N2	112.0°	109.3°
C1	C2	C3	112.6°	110.0°
C1	C2	H3	106.3°	109.4°
C2	C1	S5	116.4°	108.9°
C2	C1	O1	101.8°	109.6°
C2	C1	H1	110.6°	109.6°
N2	C2	C3	112.1°	109.4°
N2	C2	H3	107.2°	109.4°
C2	N2	H4	118.3°	120.0°
C2	N2	C7	123.4°	120.0°
C3	C2	H3	106.1°	109.3°
C2	C3	H8	106.3°	109.3°
C2	C3	O3	109.1°	109.3°
C2	C3	C4	115.5°	110.7°
H4	N2	C7	118.3°	120.0°
C8	C7	N2	117.1°	120.0°
C8	C7	O7	121.1°	120.0°
C7	C8	H5	109.5°	109.4°
C7	C8	H6	109.5°	109.5°
C7	C8	H7	109.5°	109.5°
N2	C7	O7	121.9°	120.0°
H5	C8	H6	109.5°	109.5°
H5	C8	H7	109.5°	109.4°
H6	C8	H7	109.5°	109.5°
H8	C3	O3	107.8°	109.2°
H8	C3	C4	106.3°	109.2°
C3	O3	H9	109.5°	114.1°
O3	C3	C4	111.4°	109.2°
C3	C4	O4	108.2°	109.4°
C3	C4	C5	113.2°	110.0°
C3	C4	H10	107.9°	109.4°
O4	C4	C5	108.7°	109.4°
O4	C4	H10	110.4°	109.4°
C4	O4	H11	109.5°	114.0°
C5	C4	H10	108.3°	109.3°
C4	C5	H12	110.6°	109.6°
C4	C5	C6	113.7°	109.6°
C4	C5	S5	107.2°	108.9°
H12	C5	C6	110.5°	109.6°
H12	C5	S5	107.7°	109.5°
C5	C6	H13	107.6°	109.4°
C5	C6	H14	107.6°	109.5°
C5	C6	O6	116.8°	109.5°
C6	C5	S5	106.9°	109.7°
H13	C6	H14	109.5°	109.5°
H13	C6	O6	107.6°	109.5°
H14	C6	O6	107.6°	109.5°
C6	O6	H15	109.5°	114.0°
C1	S5	C5	103.8°	102.2°
S5	C1	O1	108.5°	109.6°
S5	C1	H1	107.3°	109.6°
O1	C1	H1	112.2°	109.6°
C1	O1	H2	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	N2	C3	127.7°	120.5°
C1	C2	N2	H3	116.2°	119.8°
C1	C2	C3	H3	115.9°	120.2°
C1	C2	N2	H4	59.7°	95.1°
C1	C2	N2	C7	120.3°	85.0°
C1	C2	C3	H8	69.0°	49.6°
C1	C2	C3	O3	175.0°	169.0°
C1	C2	C3	C4	48.6°	70.7°
C2	C1	S5	O1	114.0°	119.9°
C2	C1	S5	H1	124.6°	119.9°
C2	C1	S5	C5	47.3°	53.1°
C2	C1	O1	H1	118.3°	120.3°
C2	C1	O1	H2	180.0°	179.7°
N2	C2	C3	H3	116.7°	119.7°
C2	N2	H4	C7	180.0°	179.9°
C2	N2	C7	C8	178.9°	180.0°
C2	N2	C7	O7	2.0°	0.0°
N2	C2	C3	H8	58.3°	70.5°
N2	C2	C3	O3	57.7°	48.9°
N2	C2	C3	C4	176.0°	169.2°
N2	C2	C1	S5	171.5°	176.9°
N2	C2	C1	O1	70.7°	57.0°
N2	C2	C1	H1	48.6°	63.3°
C3	C2	N2	H4	68.0°	25.4°
C3	C2	N2	C7	112.0°	154.5°
C2	C3	H8	O3	116.9°	119.5°
C2	C3	H8	C4	123.6°	121.2°
C2	C3	O3	C4	128.7°	121.2°
C2	C3	O3	H9	180.0°	179.9°
C2	C3	C4	O4	176.6°	169.2°
C2	C3	C4	C5	62.7°	70.7°
C2	C3	C4	H10	57.2°	49.4°
C3	C2	C1	S5	44.1°	63.0°
C3	C2	C1	O1	161.8°	177.1°
C3	C2	C1	H1	78.8°	56.9°
H3	C2	N2	H4	175.9°	145.1°
H3	C2	N2	C7	4.1°	34.8°
H3	C2	C3	H8	175.0°	169.7°
H3	C2	C3	O3	59.0°	70.8°
H3	C2	C3	C4	67.3°	49.5°
H3	C2	C1	S5	71.7°	57.1°
H3	C2	C1	O1	46.0°	62.7°
H3	C2	C1	H1	165.4°	177.0°
H4	N2	C7	C8	1.1°	0.0°
H4	N2	C7	O7	178.0°	179.9°
C8	C7	N2	O7	179.1°	179.9°
C7	C8	H5	H6	120.0°	120.0°
C7	C8	H5	H7	120.0°	120.0°
C7	C8	H6	H7	120.0°	120.1°
N2	C7	C8	H5	179.1°	0.0°
N2	C7	C8	H6	60.9°	120.0°
N2	C7	C8	H7	59.1°	119.9°
O7	C7	C8	H5	0.0°	179.9°
O7	C7	C8	H6	120.0°	60.1°
O7	C7	C8	H7	120.0°	60.0°
H5	C8	H6	H7	120.0°	120.0°
H8	C3	O3	C4	116.2°	119.3°
H8	C3	O3	H9	64.9°	60.6°
H8	C3	C4	O4	65.7°	70.5°
H8	C3	C4	C5	54.9°	49.7°
H8	C3	C4	H10	174.9°	169.7°
O3	C3	C4	O4	51.4°	48.8°
O3	C3	C4	C5	172.1°	169.0°
O3	C3	C4	H10	68.0°	71.0°
H9	O3	C3	C4	51.3°	58.7°
C3	C4	O4	C5	123.4°	120.5°
C3	C4	O4	H10	117.9°	119.8°
C3	C4	C5	H10	119.7°	120.1°
C3	C4	O4	H11	180.0°	179.9°
C3	C4	C5	H12	51.5°	56.8°
C3	C4	C5	C6	176.4°	177.1°
C3	C4	C5	S5	65.7°	62.9°
O4	C4	C5	H10	120.0°	119.7°
O4	C4	C5	H12	68.9°	63.4°
O4	C4	C5	C6	56.1°	56.9°
O4	C4	C5	S5	174.0°	176.9°
C5	C4	O4	H11	56.6°	59.5°
C4	C5	H12	C6	126.8°	120.3°
C4	C5	H12	S5	116.9°	119.4°
C4	C5	C6	S5	118.1°	119.5°
C4	C5	C6	H13	162.1°	175.0°
C4	C5	C6	H14	80.1°	65.0°
C4	C5	C6	O6	41.0°	55.0°
C4	C5	S5	C1	54.9°	53.1°
H10	C4	O4	H11	62.1°	60.2°
H10	C4	C5	H12	171.2°	176.9°
H10	C4	C5	C6	63.9°	62.8°
H10	C4	C5	S5	54.0°	57.2°
H12	C5	C6	S5	116.9°	120.2°
H12	C5	C6	H13	72.9°	64.7°
H12	C5	C6	H14	45.0°	55.3°
H12	C5	C6	O6	166.0°	175.3°
H12	C5	S5	C1	64.2°	66.7°
C5	C6	H13	H14	116.7°	120.0°
C5	C6	H13	O6	126.7°	120.0°
C5	C6	H14	O6	126.7°	120.0°
C5	C6	O6	H15	180.0°	180.0°
C6	C5	S5	C1	177.1°	173.0°
H13	C6	H14	O6	116.7°	120.0°
H13	C6	O6	H15	59.0°	60.0°
H13	C6	C5	S5	44.0°	55.5°
H14	C6	O6	H15	59.0°	60.0°
H14	C6	C5	S5	161.9°	175.5°
O6	C6	C5	S5	77.1°	64.5°
S5	C1	O1	H1	118.4°	120.3°
S5	C1	O1	H2	56.7°	60.3°
C5	S5	C1	O1	161.3°	173.0°
C5	S5	C1	H1	77.3°	66.8°
H1	C1	O1	H2	61.7°	60.0°

Release date:	2012-10-26
Definition date:	2012-09-18
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	4GZ3