W24

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C6	sing	1.53Å	1.52Å
O2	S	doub	1.42Å	1.43Å
C5	N1	sing	1.47Å	1.49Å
C5	C4	sing	1.53Å	1.52Å
S	N1	sing	1.66Å	1.62Å
S	O1	doub	1.42Å	1.43Å
S	C8	sing	1.81Å	1.74Å
C6	N1	sing	1.47Å	1.48Å
C6	C2	sing	1.53Å	1.54Å
O	C1	doub	1.21Å	1.23Å
C3	C4	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.54Å
C1	C2	sing	1.51Å	1.52Å
C1	N	sing	1.35Å	1.33Å
C	N	sing	1.47Å	1.45Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
N	H15	sing	0.97Å	1.00Å
C	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å
C	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C6	N1	112.3°	109.6°
C7	C6	C2	113.4°	109.6°
C7	C6	H5	107.2°	109.7°
C6	C7	H6	109.5°	109.5°
C6	C7	H7	109.5°	109.5°
C6	C7	H8	109.5°	109.5°
O2	S	N1	106.9°	104.3°
O2	S	O1	118.8°	121.0°
O2	S	C8	108.4°	110.6°
N1	C5	C4	110.5°	108.8°
C5	N1	S	118.2°	120.7°
C5	N1	C6	116.9°	118.7°
N1	C5	H3	109.2°	109.6°
N1	C5	H4	109.2°	109.6°
C5	C4	C3	110.8°	109.3°
C5	C4	H1	109.1°	109.5°
C5	C4	H2	109.2°	109.5°
C4	C5	H3	109.2°	109.6°
C4	C5	H4	109.2°	109.6°
N1	S	O1	106.9°	104.2°
N1	S	C8	106.0°	104.5°
S	N1	C6	120.5°	120.6°
O1	S	C8	109.0°	110.5°
S	C8	H9	109.5°	109.5°
S	C8	H10	109.5°	109.5°
S	C8	H11	109.4°	109.5°
N1	C6	C2	108.8°	108.8°
N1	C6	H5	107.8°	109.6°
C6	C2	C3	110.4°	109.3°
C6	C2	C1	111.4°	109.5°
C2	C6	H5	107.0°	109.6°
C6	C2	H14	107.7°	109.6°
O	C1	C2	121.1°	120.0°
O	C1	N	123.3°	120.0°
C4	C3	C2	112.2°	109.5°
C3	C4	H1	109.1°	109.5°
C3	C4	H2	109.1°	109.5°
C4	C3	H12	108.8°	109.5°
C4	C3	H13	108.8°	109.5°
C3	C2	C1	111.3°	109.5°
C2	C3	H12	108.8°	109.5°
C2	C3	H13	108.8°	109.4°
C3	C2	H14	107.8°	109.5°
C2	C1	N	115.6°	120.0°
C1	C2	H14	108.1°	109.5°
C1	N	C	122.3°	120.0°
C1	N	H15	118.8°	120.0°
C	N	H15	118.9°	120.0°
N	C	H16	109.5°	109.5°
N	C	H17	109.4°	109.5°
N	C	H18	109.5°	109.4°
H1	C4	H2	109.5°	109.5°
H3	C5	H4	109.5°	109.7°
H6	C7	H7	109.5°	109.4°
H6	C7	H8	109.5°	109.5°
H7	C7	H8	109.5°	109.4°
H9	C8	H10	109.5°	109.5°
H9	C8	H11	109.5°	109.5°
H10	C8	H11	109.5°	109.4°
H12	C3	H13	109.4°	109.5°
H16	C	H17	109.5°	109.5°
H16	C	H18	109.4°	109.5°
H17	C	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C6	N1	C5	70.7°	66.2°
C7	C6	N1	S	85.1°	114.1°
C7	C6	N1	C2	126.4°	119.8°
C7	C6	N1	H5	117.9°	120.4°
C7	C6	C2	H5	118.0°	120.4°
C7	C6	C2	C3	71.8°	65.1°
C7	C6	C2	C1	52.3°	54.8°
C6	C7	H6	H7	120.0°	120.0°
C6	C7	H6	H8	120.0°	120.1°
C6	C7	H7	H8	120.0°	120.0°
C7	C6	C2	H14	170.7°	174.9°
O2	S	N1	C5	61.3°	153.9°
O2	S	N1	O1	128.3°	127.8°
O2	S	N1	C8	115.5°	116.1°
O2	S	O1	C8	124.8°	131.5°
O2	S	N1	C6	94.2°	25.8°
O2	S	C8	H9	180.0°	68.4°
O2	S	C8	H10	60.0°	171.6°
O2	S	C8	H11	60.0°	51.6°
N1	C5	C4	H3	120.2°	119.8°
N1	C5	C4	H4	120.2°	119.8°
C5	N1	S	C6	155.5°	179.7°
C5	N1	S	O1	170.4°	26.1°
C5	N1	S	C8	54.3°	90.0°
C5	N1	C6	C2	55.7°	53.7°
N1	C5	C4	C3	51.5°	54.7°
N1	C5	C4	H1	171.7°	174.6°
N1	C5	C4	H2	68.7°	65.3°
N1	C5	H3	H4	119.5°	120.4°
C5	N1	C6	H5	171.4°	173.4°
C4	C5	N1	S	148.8°	126.1°
C4	C5	N1	C6	54.9°	53.6°
C5	C4	C3	H1	120.2°	120.0°
C5	C4	C3	H2	120.2°	119.9°
C5	C4	C3	C2	54.4°	61.4°
C5	C4	H1	H2	119.4°	120.1°
C4	C5	H3	H4	119.5°	120.3°
C5	C4	C3	H12	66.0°	58.7°
C5	C4	C3	H13	174.9°	178.7°
N1	S	O1	C8	114.2°	111.7°
S	N1	C6	C2	148.5°	126.1°
S	N1	C5	H3	91.1°	114.1°
S	N1	C5	H4	28.6°	6.3°
S	N1	C6	H5	32.8°	6.4°
N1	S	C8	H9	65.5°	180.0°
N1	S	C8	H10	54.5°	59.9°
N1	S	C8	H11	174.5°	60.0°
O1	S	N1	C6	34.1°	153.7°
O1	S	C8	H9	49.3°	68.4°
O1	S	C8	H10	169.3°	51.7°
O1	S	C8	H11	70.7°	171.6°
C8	S	N1	C6	150.2°	90.3°
S	C8	H9	H10	120.0°	120.0°
S	C8	H9	H11	120.0°	120.0°
S	C8	H10	H11	120.0°	120.0°
N1	C6	C2	H5	116.2°	119.7°
N1	C6	C2	C3	53.9°	54.7°
N1	C6	C2	C1	178.1°	174.6°
C6	N1	C5	H3	65.3°	66.1°
C6	N1	C5	H4	175.0°	173.4°
N1	C6	C7	H6	180.0°	59.2°
N1	C6	C7	H7	60.0°	179.1°
N1	C6	C7	H8	60.0°	60.9°
N1	C6	C2	H14	63.5°	65.3°
C6	C2	C1	O	108.0°	96.5°
C6	C2	C3	C4	55.9°	61.4°
C6	C2	C3	C1	124.3°	119.9°
C6	C2	C3	H14	117.4°	120.0°
C6	C2	C1	H14	118.2°	120.1°
C6	C2	C1	N	72.6°	83.5°
C2	C6	C7	H6	56.1°	60.2°
C2	C6	C7	H7	176.1°	59.8°
C2	C6	C7	H8	63.9°	179.7°
C6	C2	C3	H12	64.5°	58.7°
C6	C2	C3	H13	176.3°	178.6°
O	C1	C2	C3	15.6°	23.4°
O	C1	C2	N	179.4°	180.0°
O	C1	N	C	4.6°	0.0°
O	C1	C2	H14	133.8°	143.4°
O	C1	N	H15	175.4°	180.0°
C4	C3	C2	H12	120.4°	120.1°
C4	C3	C2	H13	120.4°	120.0°
C4	C3	C2	C1	179.8°	178.7°
C3	C4	H1	H2	119.4°	120.1°
C3	C4	C5	H3	68.6°	65.2°
C3	C4	C5	H4	171.7°	174.4°
C4	C3	H12	H13	118.7°	120.0°
C4	C3	C2	H14	61.5°	58.6°
C3	C2	C1	H14	118.2°	120.1°
C3	C2	C1	N	163.7°	156.7°
C2	C3	C4	H1	174.6°	178.7°
C2	C3	C4	H2	65.8°	58.6°
C3	C2	C6	H5	170.1°	174.4°
C2	C3	H12	H13	118.7°	119.9°
C2	C1	N	C	176.1°	180.0°
C1	C2	C6	H5	65.7°	65.6°
C1	C2	C3	H12	59.7°	61.3°
C1	C2	C3	H13	59.4°	58.7°
C2	C1	N	H15	4.0°	0.0°
C1	N	C	H15	180.0°	179.9°
N	C1	C2	H14	45.6°	36.6°
C1	N	C	H16	180.0°	180.0°
C1	N	C	H17	60.0°	60.0°
C1	N	C	H18	60.0°	60.0°
N	C	H16	H17	120.0°	120.1°
N	C	H16	H18	120.0°	119.9°
N	C	H17	H18	120.0°	120.0°
H1	C4	C5	H3	51.5°	54.8°
H1	C4	C5	H4	68.1°	65.6°
H1	C4	C3	H12	54.2°	61.3°
H1	C4	C3	H13	64.9°	58.7°
H2	C4	C5	H3	171.2°	174.9°
H2	C4	C5	H4	51.5°	54.5°
H2	C4	C3	H12	173.8°	178.6°
H2	C4	C3	H13	54.7°	61.4°
H5	C6	C7	H6	61.8°	179.5°
H5	C6	C7	H7	58.2°	60.6°
H5	C6	C7	H8	178.2°	59.4°
H5	C6	C2	H14	52.7°	54.4°
H6	C7	H7	H8	120.0°	120.0°
H9	C8	H10	H11	120.0°	120.0°
H12	C3	C2	H14	178.0°	178.7°
H13	C3	C2	H14	58.9°	61.4°
H15	N	C	H16	0.0°	0.1°
H15	N	C	H17	120.0°	120.0°
H15	N	C	H18	120.0°	120.1°
H16	C	H17	H18	120.0°	120.0°

Release date:	2021-01-13
Definition date:	2020-09-24
Last modified:	2021-01-08
Release status:	REL
Processing site:	RCSB
Derived from:	5RRD