US7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	S	doub	1.42Å	1.43Å
C2	C3	doub	1.38Å	1.38Å	Aromatic
C2	C1	sing	1.38Å	1.39Å	Aromatic
S	O1	doub	1.42Å	1.44Å
S	C1	sing	1.76Å	1.77Å
S	C	sing	1.81Å	1.75Å
C3	C4	sing	1.39Å	1.40Å	Aromatic
C1	C6	doub	1.38Å	1.38Å	Aromatic
C7	C8	sing	1.53Å	1.51Å
C7	N	sing	1.47Å	1.46Å
C4	N	sing	1.40Å	1.40Å
C4	C5	doub	1.39Å	1.39Å	Aromatic
C8	N1	sing	1.47Å	1.47Å
C6	C5	sing	1.38Å	1.38Å	Aromatic
N	C10	sing	1.47Å	1.47Å
N1	C9	sing	1.47Å	1.48Å
C10	C9	sing	1.53Å	1.52Å
N1	H1	sing	1.01Å	1.00Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.08Å	1.08Å
C2	H15	sing	1.08Å	1.08Å
C9	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	S	O1	118.1°	121.0°
O	S	C1	108.2°	104.3°
O	S	C	108.6°	110.5°
C3	C2	C1	119.4°	120.0°
C2	C3	C4	120.8°	119.9°
C2	C3	H14	119.6°	120.0°
C3	C2	H15	120.3°	120.0°
C2	C1	S	119.8°	119.9°
C2	C1	C6	120.7°	120.1°
C1	C2	H15	120.3°	120.0°
O1	S	C1	108.2°	104.3°
O1	S	C	108.5°	110.5°
C1	S	C	104.4°	104.5°
S	C1	C6	119.4°	120.0°
S	C	H11	109.5°	109.5°
S	C	H12	109.5°	109.5°
S	C	H13	109.4°	109.5°
C3	C4	N	120.8°	120.1°
C3	C4	C5	118.7°	119.9°
C4	C3	H14	119.6°	120.1°
C1	C6	C5	119.5°	120.1°
C1	C6	H4	120.2°	120.0°
C8	C7	N	109.2°	109.3°
C7	C8	N1	109.3°	109.4°
C8	C7	H5	109.5°	109.5°
C8	C7	H6	109.5°	109.5°
C7	C8	H7	109.5°	109.5°
C7	C8	H8	109.5°	109.6°
C7	N	C4	118.0°	111.0°
C7	N	C10	112.3°	110.9°
N	C7	H5	109.5°	109.5°
N	C7	H6	109.5°	109.5°
N	C4	C5	120.5°	120.1°
C4	N	C10	120.2°	111.0°
C4	C5	C6	120.9°	119.9°
C4	C5	H3	119.5°	120.1°
C8	N1	C9	111.5°	110.9°
C8	N1	H1	109.0°	111.0°
N1	C8	H7	109.5°	109.5°
N1	C8	H8	109.5°	109.5°
C6	C5	H3	119.6°	120.0°
C5	C6	H4	120.2°	120.0°
N	C10	C9	110.6°	109.4°
N	C10	H9	109.2°	109.4°
N	C10	H10	109.2°	109.5°
N1	C9	C10	110.4°	109.4°
C9	N1	H1	109.0°	111.0°
N1	C9	H16	109.2°	109.5°
N1	C9	H17	109.2°	109.5°
C9	C10	H9	109.2°	109.5°
C9	C10	H10	109.2°	109.5°
C10	C9	H16	109.2°	109.5°
C10	C9	H17	109.2°	109.4°
H5	C7	H6	109.5°	109.6°
H7	C8	H8	109.5°	109.5°
H9	C10	H10	109.5°	109.5°
H11	C	H12	109.4°	109.4°
H11	C	H13	109.5°	109.4°
H12	C	H13	109.5°	109.5°
H16	C9	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	S	C1	C2	16.0°	26.1°
O	S	O1	C1	123.2°	116.8°
O	S	O1	C	124.1°	131.4°
O	S	C1	C	115.5°	116.1°
O	S	C1	C6	168.3°	153.9°
O	S	C	H11	180.0°	171.6°
O	S	C	H12	60.0°	51.7°
O	S	C	H13	60.0°	68.4°
C3	C2	C1	H15	180.0°	179.4°
C3	C2	C1	S	173.4°	179.7°
C2	C3	C4	H14	180.0°	179.7°
C3	C2	C1	C6	2.2°	0.3°
C2	C3	C4	N	176.3°	179.7°
C2	C3	C4	C5	1.6°	0.5°
C2	C1	S	O1	113.0°	154.0°
C2	C1	S	C6	175.7°	180.0°
C2	C1	S	C	131.5°	90.0°
C1	C2	C3	C4	0.2°	0.6°
C2	C1	C6	C5	2.4°	0.0°
C2	C1	C6	H4	177.5°	179.9°
C1	C2	C3	H14	179.8°	179.7°
O1	S	C1	C	115.5°	116.1°
O1	S	C1	C6	62.7°	26.1°
O1	S	C	H11	50.4°	51.7°
O1	S	C	H12	170.4°	171.6°
O1	S	C	H13	69.6°	68.3°
S	C1	C6	C5	173.2°	180.0°
S	C1	C6	H4	6.8°	0.1°
C1	S	C	H11	64.8°	60.0°
C1	S	C	H12	55.2°	60.0°
C1	S	C	H13	175.2°	180.0°
S	C1	C2	H15	6.5°	0.3°
C	S	C1	C6	52.8°	90.0°
S	C	H11	H12	120.0°	120.0°
S	C	H11	H13	120.0°	120.1°
S	C	H12	H13	120.0°	120.1°
C3	C4	N	C7	36.8°	0.2°
C3	C4	N	C5	177.8°	179.8°
C3	C4	C5	C6	1.3°	0.2°
C3	C4	N	C10	179.4°	123.5°
C3	C4	C5	H3	178.7°	179.7°
C4	C3	C2	H15	179.8°	180.0°
C1	C6	C5	C4	0.6°	0.1°
C1	C6	C5	H4	180.0°	179.9°
C1	C6	C5	H3	179.3°	180.0°
C6	C1	C2	H15	177.8°	179.7°
C8	C7	N	H5	120.0°	120.0°
C8	C7	N	H6	120.0°	119.9°
C8	C7	N	C4	154.7°	176.8°
C7	C8	N1	H7	120.0°	119.9°
C7	C8	N1	H8	120.0°	120.0°
C8	C7	N	C10	58.8°	59.3°
C7	C8	N1	C9	59.3°	59.4°
C7	C8	N1	H1	179.7°	176.7°
C8	C7	H5	H6	120.1°	120.1°
C7	C8	H7	H8	120.1°	120.1°
C7	N	C4	C10	143.8°	123.8°
C7	N	C4	C5	145.4°	180.0°
N	C7	C8	N1	59.5°	58.4°
C7	N	C10	C9	55.7°	59.3°
N	C7	H5	H6	120.1°	120.0°
N	C7	C8	H7	60.5°	178.3°
N	C7	C8	H8	179.4°	61.5°
C7	N	C10	H9	64.5°	60.7°
C7	N	C10	H10	175.9°	179.3°
N	C4	C5	C6	176.5°	180.0°
C4	N	C10	C9	158.6°	176.8°
N	C4	C5	H3	3.5°	0.0°
C4	N	C7	H5	85.3°	63.2°
C4	N	C7	H6	34.8°	56.9°
C4	N	C10	H9	81.2°	63.2°
C4	N	C10	H10	38.4°	56.8°
N	C4	C3	H14	3.7°	0.0°
C4	C5	C6	H3	180.0°	180.0°
C5	C4	N	C10	1.6°	56.2°
C4	C5	C6	H4	179.3°	179.9°
C5	C4	C3	H14	178.4°	179.7°
C8	N1	C9	H1	120.3°	123.9°
C8	N1	C9	C10	56.1°	59.4°
N1	C8	C7	H5	60.5°	61.5°
N1	C8	C7	H6	179.4°	178.3°
N1	C8	H7	H8	120.1°	120.0°
C8	N1	C9	H16	64.0°	60.6°
C8	N1	C9	H17	176.3°	179.2°
N	C10	C9	N1	53.2°	58.4°
N	C10	C9	H9	120.2°	119.9°
N	C10	C9	H10	120.2°	120.0°
C10	N	C7	H5	61.2°	60.7°
C10	N	C7	H6	178.7°	179.2°
N	C10	H9	H10	119.5°	120.0°
N	C10	C9	H16	67.0°	61.6°
N	C10	C9	H17	173.3°	178.4°
N1	C9	C10	H16	120.2°	120.0°
N1	C9	C10	H17	120.1°	120.0°
C9	N1	C8	H7	60.6°	179.3°
C9	N1	C8	H8	179.3°	60.7°
N1	C9	C10	H9	67.0°	61.5°
N1	C9	C10	H10	173.4°	178.4°
N1	C9	H16	H17	119.6°	120.1°
C10	C9	N1	H1	176.5°	176.8°
C9	C10	H9	H10	119.4°	120.1°
C10	C9	H16	H17	119.6°	120.0°
H1	N1	C8	H7	59.7°	56.8°
H1	N1	C8	H8	60.4°	63.3°
H1	N1	C9	H16	56.3°	63.2°
H1	N1	C9	H17	63.4°	56.9°
H3	C5	C6	H4	0.7°	0.1°
H5	C7	C8	H7	179.5°	58.4°
H5	C7	C8	H8	59.5°	178.5°
H6	C7	C8	H7	59.5°	61.7°
H6	C7	C8	H8	60.6°	58.4°
H9	C10	C9	H16	172.8°	178.5°
H9	C10	C9	H17	53.1°	58.4°
H10	C10	C9	H16	53.2°	58.4°
H10	C10	C9	H17	66.5°	61.6°
H11	C	H12	H13	120.0°	119.9°
H14	C3	C2	H15	0.1°	0.3°

Release date:	2020-06-10
Definition date:	2020-05-28
Last modified:	2020-06-05
Release status:	REL
Processing site:	RCSB
Derived from:	5RHD