W4W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	sing	1.47Å	1.44Å
C9	S	sing	1.81Å	1.79Å
C10	N1	trip	1.14Å	1.15Å
S	C8	sing	1.81Å	1.79Å
O	C7	doub	1.21Å	1.21Å
C7	C8	sing	1.51Å	1.48Å
C7	N	sing	1.35Å	1.37Å
C2	C1	sing	1.53Å	1.54Å
C2	N	sing	1.47Å	1.48Å
C2	C3	sing	1.53Å	1.54Å
C1	C	sing	1.53Å	1.49Å
N	C6	sing	1.47Å	1.48Å
C3	C4	sing	1.53Å	1.48Å
C6	C5	sing	1.53Å	1.54Å
C4	C5	sing	1.53Å	1.50Å
C8	H1	sing	1.09Å	1.10Å
C8	H2	sing	1.09Å	1.10Å
C9	H3	sing	1.09Å	1.10Å
C9	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
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)
C10	C9	S	107.7°	109.5°
C9	C10	N1	179.7°	179.9°
C10	C9	H3	109.9°	109.4°
C10	C9	H4	109.9°	109.4°
C9	S	C8	100.7°	103.0°
S	C9	H3	109.9°	109.5°
S	C9	H4	109.9°	109.5°
S	C8	C7	111.9°	109.4°
S	C8	H1	108.9°	109.4°
S	C8	H2	108.9°	109.4°
O	C7	C8	120.7°	120.0°
O	C7	N	120.8°	120.0°
C8	C7	N	118.4°	120.0°
C7	C8	H1	108.9°	109.5°
C7	C8	H2	108.8°	109.5°
C7	N	C2	114.9°	120.6°
C7	N	C6	124.3°	120.7°
C1	C2	N	108.6°	109.6°
C1	C2	C3	114.0°	109.6°
C2	C1	C	112.3°	109.5°
C2	C1	H5	108.7°	109.5°
C2	C1	H6	108.8°	109.4°
C1	C2	H15	106.3°	109.5°
N	C2	C3	114.1°	108.8°
C2	N	C6	120.8°	118.7°
N	C2	H15	107.0°	109.6°
C2	C3	C4	111.7°	109.3°
C2	C3	H13	108.9°	109.5°
C2	C3	H14	108.9°	109.5°
C3	C2	H15	106.3°	109.7°
C	C1	H5	108.8°	109.5°
C	C1	H6	108.8°	109.5°
C1	C	H16	109.5°	109.5°
C1	C	H17	109.5°	109.5°
C1	C	H18	109.4°	109.5°
N	C6	C5	117.3°	108.8°
N	C6	H9	107.5°	109.6°
N	C6	H10	107.5°	109.7°
C3	C4	C5	105.5°	109.5°
C3	C4	H11	110.5°	109.5°
C3	C4	H12	110.5°	109.4°
C4	C3	H13	108.9°	109.5°
C4	C3	H14	108.9°	109.5°
C6	C5	C4	113.4°	109.3°
C6	C5	H7	108.5°	109.5°
C6	C5	H8	108.5°	109.5°
C5	C6	H9	107.5°	109.6°
C5	C6	H10	107.5°	109.6°
C4	C5	H7	108.5°	109.5°
C4	C5	H8	108.5°	109.5°
C5	C4	H11	110.4°	109.4°
C5	C4	H12	110.4°	109.4°
H1	C8	H2	109.5°	109.5°
H3	C9	H4	109.5°	109.4°
H5	C1	H6	109.5°	109.5°
H7	C5	H8	109.5°	109.5°
H9	C6	H10	109.5°	109.6°
H11	C4	H12	109.5°	109.5°
H13	C3	H14	109.5°	109.5°
H16	C	H17	109.5°	109.4°
H16	C	H18	109.4°	109.5°
H17	C	H18	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	S	H3	119.7°	120.0°
C10	C9	S	H4	119.7°	120.0°
C10	C9	S	C8	71.8°	180.0°
C10	C9	H3	H4	120.8°	119.9°
S	C9	C10	N1	73.0°	19.8°
C9	S	C8	C7	45.5°	180.0°
C9	S	C8	H1	165.8°	60.0°
C9	S	C8	H2	74.9°	60.0°
S	C9	H3	H4	120.8°	120.1°
N1	C10	C9	H3	167.2°	139.8°
N1	C10	C9	H4	46.7°	100.3°
S	C8	C7	O	40.1°	0.3°
S	C8	C7	H1	120.4°	120.0°
S	C8	C7	H2	120.4°	120.0°
S	C8	C7	N	142.2°	180.0°
S	C8	H1	H2	118.9°	120.0°
C8	S	C9	H3	47.9°	60.0°
C8	S	C9	H4	168.4°	60.0°
O	C7	C8	N	177.7°	179.7°
O	C7	N	C2	11.1°	5.1°
O	C7	N	C6	171.8°	174.9°
O	C7	C8	H1	80.3°	120.3°
O	C7	C8	H2	160.4°	119.7°
C8	C7	N	C2	171.2°	175.2°
C8	C7	N	C6	6.0°	4.8°
C7	C8	H1	H2	118.9°	120.1°
C7	N	C2	C1	64.0°	6.6°
C7	N	C2	C6	177.3°	180.0°
C7	N	C2	C3	167.7°	126.5°
C7	N	C6	C5	175.8°	126.5°
N	C7	C8	H1	97.4°	60.1°
N	C7	C8	H2	21.8°	60.0°
C7	N	C6	H9	63.1°	113.8°
C7	N	C6	H10	54.7°	6.6°
C7	N	C2	H15	50.4°	113.6°
C1	C2	N	C3	128.3°	119.9°
C1	C2	N	H15	114.4°	120.2°
C1	C2	C3	H15	116.8°	120.3°
C2	C1	C	H5	120.4°	120.0°
C2	C1	C	H6	120.4°	119.9°
C1	C2	N	C6	118.7°	173.4°
C1	C2	C3	C4	81.1°	174.4°
C2	C1	H5	H6	118.7°	120.0°
C1	C2	C3	H13	158.6°	54.5°
C1	C2	C3	H14	39.2°	65.5°
C2	C1	C	H16	180.0°	65.9°
C2	C1	C	H17	60.0°	54.1°
C2	C1	C	H18	60.0°	174.1°
N	C2	C3	H15	117.7°	119.9°
N	C2	C1	C	69.4°	178.9°
N	C2	C3	C4	44.5°	54.6°
C2	N	C6	C5	1.2°	53.5°
N	C2	C1	H5	170.2°	58.8°
N	C2	C1	H6	51.0°	61.2°
C2	N	C6	H9	119.9°	66.2°
C2	N	C6	H10	122.3°	173.4°
N	C2	C3	H13	75.9°	65.3°
N	C2	C3	H14	164.8°	174.6°
C3	C2	C1	C	59.0°	61.7°
C3	C2	N	C6	9.6°	53.5°
C2	C3	C4	H13	120.3°	119.9°
C2	C3	C4	H14	120.4°	120.1°
C2	C3	C4	C5	68.5°	61.3°
C3	C2	C1	H5	61.4°	178.2°
C3	C2	C1	H6	179.4°	58.2°
C2	C3	C4	H11	172.1°	178.7°
C2	C3	C4	H12	50.9°	58.7°
C2	C3	H13	H14	119.0°	120.1°
C	C1	H5	H6	118.7°	120.0°
C	C1	C2	H15	175.7°	58.6°
C1	C	H16	H17	120.0°	120.0°
C1	C	H16	H18	120.0°	120.0°
C1	C	H17	H18	120.0°	120.0°
N	C6	C5	H9	121.1°	119.8°
N	C6	C5	H10	121.1°	119.9°
N	C6	C5	C4	26.6°	54.6°
N	C6	C5	H7	147.1°	65.3°
N	C6	C5	H8	94.0°	174.6°
N	C6	H9	H10	116.5°	120.4°
C6	N	C2	H15	126.8°	66.4°
C3	C4	C5	C6	58.9°	61.3°
C3	C4	C5	H11	119.4°	120.1°
C3	C4	C5	H12	119.4°	119.9°
C3	C4	C5	H7	179.5°	58.6°
C3	C4	C5	H8	61.7°	178.7°
C3	C4	H11	H12	121.9°	119.9°
C4	C3	H13	H14	118.9°	120.1°
C4	C3	C2	H15	162.1°	65.3°
C6	C5	C4	H7	120.6°	120.0°
C6	C5	C4	H8	120.6°	120.0°
C6	C5	H7	H8	118.2°	120.1°
C5	C6	H9	H10	116.5°	120.3°
C6	C5	C4	H11	178.3°	178.6°
C6	C5	C4	H12	60.5°	58.6°
C4	C5	H7	H8	118.2°	120.1°
C4	C5	C6	H9	94.5°	65.1°
C4	C5	C6	H10	147.7°	174.6°
C5	C4	H11	H12	121.8°	120.0°
C5	C4	C3	H13	51.8°	58.6°
C5	C4	C3	H14	171.1°	178.7°
H5	C1	C2	H15	55.3°	61.4°
H5	C1	C	H16	59.6°	174.1°
H5	C1	C	H17	179.6°	65.9°
H5	C1	C	H18	60.4°	54.1°
H6	C1	C2	H15	63.8°	178.6°
H6	C1	C	H16	59.6°	54.1°
H6	C1	C	H17	60.5°	174.0°
H6	C1	C	H18	179.5°	66.0°
H7	C5	C6	H9	26.0°	174.9°
H7	C5	C6	H10	91.7°	54.6°
H7	C5	C4	H11	61.1°	61.4°
H7	C5	C4	H12	60.1°	178.6°
H8	C5	C6	H9	144.9°	54.9°
H8	C5	C6	H10	27.1°	65.5°
H8	C5	C4	H11	57.7°	58.6°
H8	C5	C4	H12	178.9°	61.4°
H11	C4	C3	H13	67.6°	61.4°
H11	C4	C3	H14	51.8°	58.6°
H12	C4	C3	H13	171.2°	178.6°
H12	C4	C3	H14	69.5°	61.4°
H13	C3	C2	H15	41.8°	174.8°
H14	C3	C2	H15	77.5°	54.8°
H16	C	H17	H18	120.0°	120.0°

Release date:	2022-11-02
Definition date:	2022-09-02
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	7FPC