WUW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	S1	doub	1.42Å	1.43Å
C4	C3	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.53Å
C3	C2	sing	1.52Å	1.52Å
C5	N1	sing	1.47Å	1.48Å
C5	C6	sing	1.53Å	1.52Å
S1	N1	sing	1.66Å	1.64Å
S1	O2	doub	1.42Å	1.43Å
S1	C10	sing	1.81Å	1.75Å
N1	C9	sing	1.47Å	1.47Å
C2	O1	sing	1.43Å	1.43Å
C2	C7	sing	1.52Å	1.53Å
C6	C7	sing	1.53Å	1.53Å
O1	C1	sing	1.43Å	1.43Å
C7	C8	sing	1.52Å	1.53Å
C9	C8	sing	1.53Å	1.52Å
C8	O4	sing	1.43Å	1.42Å
O4	C11	sing	1.43Å	1.42Å
C4	H7	sing	1.10Å	1.10Å
C4	H8	sing	1.10Å	1.10Å
C5	H9	sing	1.10Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C7	H12	sing	1.10Å	1.10Å
C8	H13	sing	1.10Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C10	H18	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C11	H19	sing	1.09Å	1.10Å
C11	H20	sing	1.09Å	1.10Å
C11	H21	sing	1.09Å	1.10Å
C2	H4	sing	1.10Å	1.10Å
C3	H5	sing	1.08Å	1.10Å
C3	H6	sing	1.11Å	1.10Å
C9	H15	sing	1.11Å	1.10Å
C9	H14	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	S1	N1	108.2°	104.3°
O3	S1	O2	119.3°	121.0°
O3	S1	C10	108.1°	110.5°
C3	C4	C5	113.2°	111.6°
C4	C3	C2	111.1°	111.7°
C3	C4	H7	108.5°	109.2°
C3	C4	H8	108.5°	109.2°
C4	C3	H5	109.1°	111.5°
C4	C3	H6	109.1°	107.6°
C4	C5	N1	115.4°	111.1°
C4	C5	C6	111.7°	109.2°
C5	C4	H7	108.5°	109.4°
C5	C4	H8	108.5°	109.3°
C4	C5	H9	106.9°	109.6°
C3	C2	O1	112.3°	109.2°
C3	C2	C7	110.2°	112.3°
C3	C2	H4	106.3°	108.7°
C2	C3	H5	109.1°	111.7°
C2	C3	H6	109.0°	107.6°
N1	C5	C6	107.8°	108.5°
C5	N1	S1	117.0°	120.1°
C5	N1	C9	116.5°	120.0°
N1	C5	H9	107.6°	109.2°
C5	C6	C7	108.0°	107.9°
C6	C5	H9	107.0°	109.1°
C5	C6	H11	109.9°	109.7°
C5	C6	H10	109.9°	109.8°
N1	S1	O2	106.5°	104.3°
N1	S1	C10	106.1°	104.5°
S1	N1	C9	111.7°	120.0°
O2	S1	C10	107.9°	110.6°
S1	C10	H16	109.5°	109.4°
S1	C10	H17	109.5°	109.4°
S1	C10	H18	109.5°	109.5°
N1	C9	C8	115.7°	110.8°
N1	C9	H15	107.9°	107.4°
N1	C9	H14	107.9°	112.1°
O1	C2	C7	113.8°	109.5°
C2	O1	C1	117.4°	114.0°
O1	C2	H4	107.4°	108.1°
C2	C7	C6	106.2°	109.9°
C2	C7	C8	116.3°	112.8°
C2	C7	H12	108.2°	108.1°
C7	C2	H4	106.2°	108.8°
C6	C7	C8	109.5°	110.2°
C7	C6	H11	109.8°	109.6°
C7	C6	H10	109.9°	109.9°
C6	C7	H12	108.2°	107.6°
O1	C1	H1	109.5°	109.5°
O1	C1	H2	109.5°	109.4°
O1	C1	H3	109.5°	109.4°
C7	C8	C9	113.6°	111.9°
C7	C8	O4	111.9°	109.4°
C8	C7	H12	108.1°	108.0°
C7	C8	H13	108.8°	109.2°
C9	C8	O4	103.0°	109.2°
C9	C8	H13	109.0°	108.9°
C8	C9	H15	107.9°	107.7°
C8	C9	H14	107.9°	111.8°
C8	O4	C11	115.7°	114.0°
O4	C8	H13	110.4°	108.2°
O4	C11	H19	109.5°	109.5°
O4	C11	H20	109.4°	109.5°
O4	C11	H21	109.5°	109.5°
H7	C4	H8	109.5°	108.0°
H11	C6	H10	109.4°	109.9°
H16	C10	H17	109.5°	109.5°
H16	C10	H18	109.4°	109.5°
H17	C10	H18	109.5°	109.5°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.4°	109.5°
H19	C11	H20	109.5°	109.5°
H19	C11	H21	109.5°	109.5°
H20	C11	H21	109.5°	109.5°
H5	C3	H6	109.5°	106.5°
H15	C9	H14	109.4°	106.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	S1	N1	C5	47.7°	154.2°
O3	S1	N1	O2	129.4°	127.8°
O3	S1	N1	C10	115.8°	116.1°
O3	S1	O2	C10	123.7°	131.5°
O3	S1	N1	C9	174.4°	26.1°
O3	S1	C10	H16	180.0°	51.6°
O3	S1	C10	H17	60.0°	171.6°
O3	S1	C10	H18	60.0°	68.4°
C3	C4	C5	H7	120.5°	121.0°
C3	C4	C5	H8	120.6°	121.0°
C4	C3	C2	H5	120.2°	125.7°
C4	C3	C2	H6	120.3°	117.8°
C3	C4	C5	N1	74.5°	61.0°
C3	C4	C5	C6	49.2°	58.6°
C4	C3	C2	O1	175.5°	172.5°
C4	C3	C2	C7	56.5°	50.8°
C3	C4	H7	H8	118.3°	118.7°
C3	C4	C5	H9	165.9°	178.1°
C4	C3	C2	H4	58.3°	69.7°
C4	C3	H5	H6	119.3°	117.1°
C5	C4	C3	C2	47.2°	51.9°
C4	C5	N1	C6	125.6°	120.1°
C4	C5	N1	H9	119.3°	121.0°
C4	C5	C6	H9	116.7°	119.8°
C4	C5	N1	S1	119.8°	112.9°
C4	C5	N1	C9	104.4°	67.4°
C4	C5	C6	C7	58.9°	63.1°
C5	C4	H7	H8	118.3°	118.9°
C4	C5	C6	H11	60.8°	56.2°
C4	C5	C6	H10	178.7°	177.2°
C5	C4	C3	H5	73.1°	73.9°
C5	C4	C3	H6	167.4°	169.7°
C3	C2	O1	C7	126.1°	123.4°
C3	C2	O1	H4	116.6°	118.2°
C3	C2	C7	H4	114.8°	120.5°
C3	C2	C7	C6	66.5°	56.4°
C3	C2	O1	C1	48.1°	86.6°
C3	C2	C7	C8	55.6°	67.0°
C2	C3	C4	H7	73.4°	173.0°
C2	C3	C4	H8	167.8°	69.1°
C3	C2	C7	H12	177.5°	173.6°
C2	C3	H5	H6	119.2°	117.2°
N1	C5	C6	H9	115.5°	119.0°
C5	N1	S1	C9	137.8°	179.7°
C5	N1	S1	O2	177.1°	26.4°
C5	N1	S1	C10	68.1°	89.7°
N1	C5	C6	C7	68.9°	58.1°
C5	N1	C9	C8	33.3°	45.9°
N1	C5	C4	H7	165.0°	59.9°
N1	C5	C4	H8	46.1°	178.0°
N1	C5	C6	H11	171.3°	177.4°
N1	C5	C6	H10	50.9°	61.6°
C5	N1	C9	H15	87.7°	163.3°
C5	N1	C9	H14	154.2°	79.8°
C6	C5	N1	S1	114.6°	127.0°
C6	C5	N1	C9	21.2°	52.7°
C5	C6	C7	C2	66.8°	62.0°
C5	C6	C7	H11	119.8°	119.4°
C5	C6	C7	H10	119.8°	119.7°
C5	C6	C7	C8	59.5°	63.0°
C6	C5	C4	H7	71.4°	179.6°
C6	C5	C4	H8	169.7°	62.4°
C5	C6	H11	H10	120.7°	120.9°
C5	C6	C7	H12	177.1°	179.5°
N1	S1	O2	C10	113.6°	111.8°
S1	N1	C9	C8	171.3°	133.8°
S1	N1	C5	H9	0.5°	8.1°
N1	S1	C10	H16	64.1°	60.0°
N1	S1	C10	H17	55.9°	60.0°
N1	S1	C10	H18	175.9°	180.0°
S1	N1	C9	H15	50.4°	16.4°
S1	N1	C9	H14	67.8°	100.5°
O2	S1	N1	C9	45.0°	153.9°
O2	S1	C10	H16	49.7°	171.6°
O2	S1	C10	H17	169.8°	51.7°
O2	S1	C10	H18	70.3°	68.3°
C10	S1	N1	C9	69.8°	90.0°
S1	C10	H16	H17	120.0°	119.9°
S1	C10	H16	H18	120.0°	120.0°
S1	C10	H17	H18	120.0°	120.0°
N1	C9	C8	C7	41.8°	45.7°
N1	C9	C8	H15	120.9°	117.2°
N1	C9	C8	H14	120.9°	125.8°
N1	C9	C8	O4	163.0°	75.6°
C9	N1	C5	H9	136.3°	171.6°
N1	C9	C8	H13	79.7°	166.5°
N1	C9	H15	H14	117.2°	120.4°
O1	C2	C7	H4	118.0°	118.0°
O1	C2	C7	C6	166.3°	177.9°
O1	C2	C7	C8	71.6°	54.5°
O1	C2	C7	H12	50.3°	64.8°
C2	O1	C1	H1	180.0°	60.0°
C2	O1	C1	H2	60.0°	60.0°
C2	O1	C1	H3	60.0°	180.0°
O1	C2	C3	H5	64.3°	46.8°
O1	C2	C3	H6	55.2°	69.7°
C2	C7	C6	C8	126.3°	124.9°
C2	C7	C6	H12	116.0°	117.5°
C7	C2	O1	C1	78.0°	150.0°
C2	C7	C8	H12	121.9°	119.4°
C2	C7	C8	C9	115.4°	66.3°
C2	C7	C8	O4	128.5°	172.6°
C2	C7	C6	H11	53.0°	57.4°
C2	C7	C6	H10	173.4°	178.3°
C2	C7	C8	H13	6.3°	54.4°
C7	C2	C3	H5	63.8°	74.9°
C7	C2	C3	H6	176.7°	168.6°
C6	C7	C8	H12	117.7°	117.3°
C6	C7	C8	C9	5.0°	57.0°
C6	C7	C8	O4	111.1°	64.2°
C7	C6	C5	H9	175.6°	177.1°
C7	C6	H11	H10	120.7°	120.9°
C6	C7	C8	H13	126.7°	177.7°
C6	C7	C2	H4	48.3°	64.1°
O1	C1	H1	H2	120.0°	120.0°
O1	C1	H1	H3	120.0°	120.0°
O1	C1	H2	H3	120.0°	120.0°
C1	O1	C2	H4	164.7°	31.6°
C7	C8	C9	O4	121.3°	121.2°
C7	C8	C9	H13	121.5°	120.8°
C7	C8	O4	H13	121.4°	118.8°
C7	C8	O4	C11	102.6°	150.0°
C8	C7	C6	H11	179.3°	177.7°
C8	C7	C6	H10	60.3°	56.8°
C8	C7	C2	H4	170.4°	172.5°
C7	C8	C9	H15	79.1°	162.9°
C7	C8	C9	H14	162.7°	80.2°
C9	C8	O4	H13	116.3°	118.4°
C9	C8	O4	C11	135.1°	87.2°
C9	C8	C7	H12	122.7°	174.3°
C8	C9	H15	H14	117.2°	120.2°
O4	C8	C7	H12	6.6°	53.2°
C8	O4	C11	H19	180.0°	60.0°
C8	O4	C11	H20	60.0°	60.0°
C8	O4	C11	H21	60.0°	180.0°
O4	C8	C9	H15	42.1°	41.7°
O4	C8	C9	H14	76.0°	158.6°
C11	O4	C8	H13	18.8°	31.2°
O4	C11	H19	H20	120.0°	120.0°
O4	C11	H19	H21	120.0°	120.0°
O4	C11	H20	H21	120.0°	120.0°
H7	C4	C5	H9	45.4°	60.9°
H7	C4	C3	H5	166.4°	47.2°
H7	C4	C3	H6	46.9°	69.2°
H8	C4	C5	H9	73.5°	57.1°
H8	C4	C3	H5	47.5°	165.1°
H8	C4	C3	H6	72.0°	48.7°
H9	C5	C6	H11	55.9°	63.6°
H9	C5	C6	H10	64.6°	57.3°
H11	C6	C7	H12	63.1°	60.1°
H10	C6	C7	H12	57.3°	60.8°
H12	C7	C8	H13	115.6°	65.0°
H12	C7	C2	H4	67.7°	53.1°
H13	C8	C9	H15	159.3°	76.3°
H13	C8	C9	H14	41.2°	40.7°
H16	C10	H17	H18	120.0°	120.1°
H1	C1	H2	H3	120.0°	120.1°
H19	C11	H20	H21	120.0°	120.0°
H4	C2	C3	H5	178.5°	164.6°
H4	C2	C3	H6	62.0°	48.1°

Release date:	2022-11-23
Definition date:	2022-10-20
Last modified:	2022-11-18
Release status:	REL
Processing site:	RCSB
Derived from:	7FQO