W2Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	S	sing	1.81Å	1.75Å
C	C1	sing	1.53Å	1.52Å
C5	N	sing	1.47Å	1.48Å
C5	C4	sing	1.53Å	1.52Å
S	N	sing	1.66Å	1.62Å
S	O	doub	1.42Å	1.43Å
S	O1	doub	1.42Å	1.43Å
C1	N	sing	1.47Å	1.49Å
C1	C2	sing	1.53Å	1.54Å
N1	C7	sing	1.35Å	1.33Å
C3	C4	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.54Å
C7	C2	sing	1.51Å	1.52Å
C7	O2	doub	1.21Å	1.23Å
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	S	N	107.2°	104.5°
C6	S	O	108.1°	110.6°
C6	S	O1	108.6°	110.6°
S	C6	H7	109.5°	109.5°
S	C6	H8	109.5°	109.5°
S	C6	H9	109.5°	109.5°
C	C1	N	112.7°	109.6°
C	C1	C2	112.9°	109.6°
C	C1	H13	107.5°	109.7°
C1	C	H14	109.5°	109.5°
C1	C	H15	109.5°	109.5°
C1	C	H16	109.5°	109.5°
N	C5	C4	110.3°	108.8°
C5	N	S	118.2°	120.6°
C5	N	C1	116.7°	118.8°
N	C5	H5	109.2°	109.6°
N	C5	H6	109.3°	109.6°
C5	C4	C3	110.6°	109.3°
C5	C4	H3	109.2°	109.5°
C5	C4	H4	109.2°	109.5°
C4	C5	H5	109.3°	109.6°
C4	C5	H6	109.3°	109.6°
N	S	O	106.7°	104.3°
N	S	O1	106.6°	104.2°
S	N	C1	121.5°	120.6°
O	S	O1	119.1°	121.0°
N	C1	C2	108.3°	108.8°
N	C1	H13	107.9°	109.6°
C1	C2	C3	110.9°	109.3°
C1	C2	C7	107.7°	109.5°
C1	C2	H10	107.4°	109.6°
C2	C1	H13	107.3°	109.5°
N1	C7	C2	116.8°	120.0°
N1	C7	O2	122.6°	120.0°
C7	N1	H1	120.0°	120.0°
C7	N1	H2	120.0°	120.0°
C4	C3	C2	112.1°	109.5°
C3	C4	H3	109.2°	109.5°
C3	C4	H4	109.2°	109.5°
C4	C3	H11	108.8°	109.5°
C4	C3	H12	108.8°	109.5°
C3	C2	C7	115.4°	109.5°
C3	C2	H10	107.4°	109.5°
C2	C3	H11	108.8°	109.4°
C2	C3	H12	108.8°	109.4°
C2	C7	O2	120.6°	120.0°
C7	C2	H10	107.6°	109.5°
H1	N1	H2	120.0°	119.9°
H3	C4	H4	109.5°	109.5°
H5	C5	H6	109.5°	109.7°
H7	C6	H8	109.4°	109.5°
H7	C6	H9	109.5°	109.5°
H8	C6	H9	109.5°	109.4°
H11	C3	H12	109.5°	109.5°
H14	C	H15	109.4°	109.4°
H14	C	H16	109.5°	109.5°
H15	C	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	S	N	C5	68.8°	100.8°
C6	S	N	O	115.6°	116.1°
C6	S	N	O1	116.1°	116.1°
C6	S	O	O1	124.4°	131.6°
C6	S	N	C1	89.1°	79.2°
S	C6	H7	H8	120.0°	120.0°
S	C6	H7	H9	120.0°	120.0°
S	C6	H8	H9	120.0°	120.0°
C	C1	N	C5	69.8°	173.4°
C	C1	N	S	88.4°	6.6°
C	C1	N	C2	125.7°	119.8°
C	C1	N	H13	118.5°	120.4°
C	C1	C2	H13	118.3°	120.4°
C	C1	C2	C3	72.1°	174.4°
C	C1	C2	C7	55.1°	54.5°
C	C1	C2	H10	170.8°	65.6°
C1	C	H14	H15	120.0°	120.0°
C1	C	H14	H16	120.0°	120.0°
C1	C	H15	H16	120.0°	120.0°
N	C5	C4	H5	120.1°	119.8°
N	C5	C4	H6	120.2°	119.8°
C5	N	S	C1	157.8°	180.0°
C5	N	S	O	175.6°	143.1°
C5	N	S	O1	47.3°	15.3°
C5	N	C1	C2	55.9°	53.6°
N	C5	C4	C3	52.8°	54.7°
N	C5	C4	H3	172.9°	65.3°
N	C5	C4	H4	67.4°	174.6°
N	C5	H5	H6	119.6°	120.4°
C5	N	C1	H13	171.7°	66.2°
C4	C5	N	S	144.9°	126.4°
C4	C5	N	C1	56.1°	53.6°
C5	C4	C3	H3	120.2°	120.0°
C5	C4	C3	H4	120.2°	119.9°
C5	C4	C3	C2	54.7°	61.4°
C5	C4	H3	H4	119.5°	120.1°
C4	C5	H5	H6	119.6°	120.3°
C5	C4	C3	H11	65.7°	178.6°
C5	C4	C3	H12	175.1°	58.6°
N	S	O	O1	120.6°	116.7°
S	N	C1	C2	146.0°	126.4°
S	N	C5	H5	94.9°	113.8°
S	N	C5	H6	24.8°	6.6°
N	S	C6	H7	180.0°	55.2°
N	S	C6	H8	60.0°	175.2°
N	S	C6	H9	60.0°	64.9°
S	N	C1	H13	30.1°	113.9°
O	S	N	C1	26.5°	36.9°
O	S	C6	H7	65.4°	166.8°
O	S	C6	H8	174.7°	73.2°
O	S	C6	H9	54.7°	46.7°
O1	S	N	C1	154.8°	164.7°
O1	S	C6	H7	65.2°	56.4°
O1	S	C6	H8	54.8°	63.6°
O1	S	C6	H9	174.8°	176.5°
N	C1	C2	H13	116.2°	119.8°
N	C1	C2	C3	53.4°	54.6°
N	C1	C2	C7	179.4°	65.3°
C1	N	C5	H5	64.0°	66.2°
C1	N	C5	H6	176.3°	173.4°
N	C1	C2	H10	63.6°	174.5°
N	C1	C	H14	180.0°	72.9°
N	C1	C	H15	60.0°	167.1°
N	C1	C	H16	60.0°	47.1°
C1	C2	C7	N1	119.1°	142.9°
C1	C2	C3	C4	55.6°	61.3°
C1	C2	C3	C7	122.9°	119.9°
C1	C2	C3	H10	117.1°	120.0°
C1	C2	C7	H10	115.6°	120.2°
C1	C2	C7	O2	61.2°	37.0°
C1	C2	C3	H11	64.7°	178.7°
C1	C2	C3	H12	176.0°	58.7°
C2	C1	C	H14	56.9°	46.4°
C2	C1	C	H15	176.9°	73.5°
C2	C1	C	H16	63.2°	166.4°
N1	C7	C2	C3	5.5°	97.3°
N1	C7	C2	O2	179.8°	179.9°
C7	N1	H1	H2	180.0°	179.8°
N1	C7	C2	H10	125.4°	22.7°
C4	C3	C2	H11	120.4°	120.0°
C4	C3	C2	H12	120.4°	120.0°
C4	C3	C2	C7	178.5°	58.6°
C3	C4	H3	H4	119.5°	120.0°
C3	C4	C5	H5	67.3°	65.1°
C3	C4	C5	H6	172.9°	174.5°
C4	C3	C2	H10	61.4°	178.7°
C4	C3	H11	H12	118.8°	120.0°
C3	C2	C7	H10	119.9°	120.0°
C3	C2	C7	O2	174.3°	82.8°
C2	C3	C4	H3	174.9°	58.6°
C2	C3	C4	H4	65.5°	178.7°
C2	C3	H11	H12	118.8°	120.0°
C3	C2	C1	H13	169.6°	65.2°
C2	C7	N1	H1	179.8°	0.1°
C2	C7	N1	H2	0.3°	179.7°
C7	C2	C3	H11	58.1°	61.4°
C7	C2	C3	H12	61.1°	178.6°
C7	C2	C1	H13	63.2°	174.9°
O2	C7	N1	H1	0.0°	180.0°
O2	C7	N1	H2	180.0°	0.2°
O2	C7	C2	H10	54.4°	157.2°
H3	C4	C5	H5	52.8°	174.9°
H3	C4	C5	H6	66.9°	54.5°
H3	C4	C3	H11	54.5°	61.4°
H3	C4	C3	H12	64.7°	178.6°
H4	C4	C5	H5	172.5°	54.8°
H4	C4	C5	H6	52.7°	65.6°
H4	C4	C3	H11	174.2°	58.7°
H4	C4	C3	H12	54.9°	61.4°
H7	C6	H8	H9	120.0°	120.0°
H10	C2	C3	H11	178.2°	58.7°
H10	C2	C3	H12	58.9°	61.4°
H10	C2	C1	H13	52.6°	54.8°
H13	C1	C	H14	61.3°	166.7°
H13	C1	C	H15	58.7°	46.7°
H13	C1	C	H16	178.7°	73.3°
H14	C	H15	H16	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:	5RRK