W3Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.50Å
C1	O	sing	1.45Å	1.39Å
O	C2	sing	1.34Å	1.36Å
C2	C3	sing	1.51Å	1.52Å
C2	O1	doub	1.21Å	1.19Å
C3	C4	sing	1.53Å	1.61Å
C3	C7	sing	1.53Å	1.55Å
C4	C5	sing	1.53Å	1.46Å
C7	N	sing	1.47Å	1.52Å
O2	S	doub	1.42Å	1.37Å
N	C6	sing	1.47Å	1.44Å
N	S	sing	1.66Å	1.62Å
C5	C6	sing	1.53Å	1.50Å
S	C8	sing	1.81Å	1.65Å
S	O3	doub	1.42Å	1.41Å
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.09Å	1.10Å
C4	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O	102.9°	109.5°
C	C1	H6	111.1°	109.4°
C	C1	H7	111.1°	109.5°
C1	C	H15	109.5°	109.4°
C1	C	H16	109.5°	109.5°
C1	C	H17	109.4°	109.5°
C1	O	C2	123.8°	117.0°
O	C1	H6	111.1°	109.4°
O	C1	H7	111.1°	109.5°
O	C2	C3	121.7°	120.0°
O	C2	O1	114.7°	120.0°
C3	C2	O1	123.6°	120.0°
C2	C3	C4	113.0°	109.5°
C2	C3	C7	108.0°	109.5°
C2	C3	H14	107.3°	109.5°
C4	C3	C7	114.7°	109.3°
C3	C4	C5	104.2°	109.6°
C3	C4	H12	110.8°	109.5°
C3	C4	H13	110.8°	109.5°
C4	C3	H14	106.4°	109.5°
C3	C7	N	109.7°	108.7°
C3	C7	H1	109.4°	109.6°
C3	C7	H2	109.4°	109.8°
C7	C3	H14	107.0°	109.4°
C4	C5	C6	101.3°	109.3°
C4	C5	H8	111.5°	109.6°
C4	C5	H9	111.4°	109.5°
C5	C4	H12	110.8°	109.4°
C5	C4	H13	110.8°	109.4°
C7	N	C6	113.5°	118.7°
C7	N	S	125.6°	120.6°
N	C7	H1	109.4°	109.6°
N	C7	H2	109.4°	109.5°
O2	S	N	102.0°	104.3°
O2	S	C8	110.9°	110.6°
O2	S	O3	119.1°	121.0°
C6	N	S	120.9°	120.6°
N	C6	C5	110.1°	108.8°
N	C6	H10	109.3°	109.6°
N	C6	H11	109.3°	109.7°
N	S	C8	105.5°	104.5°
N	S	O3	111.7°	104.3°
C6	C5	H8	111.5°	109.5°
C6	C5	H9	111.5°	109.5°
C5	C6	H10	109.3°	109.6°
C5	C6	H11	109.3°	109.6°
C8	S	O3	106.9°	110.6°
S	C8	H3	109.5°	109.5°
S	C8	H4	109.4°	109.5°
S	C8	H5	109.5°	109.5°
H1	C7	H2	109.5°	109.6°
H3	C8	H4	109.5°	109.4°
H3	C8	H5	109.5°	109.5°
H4	C8	H5	109.5°	109.5°
H6	C1	H7	109.5°	109.4°
H8	C5	H9	109.5°	109.4°
H10	C6	H11	109.5°	109.6°
H12	C4	H13	109.4°	109.4°
H15	C	H16	109.4°	109.4°
H15	C	H17	109.5°	109.5°
H16	C	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O	H6	118.9°	119.9°
C	C1	O	H7	119.0°	120.1°
C	C1	O	C2	147.8°	180.0°
C	C1	H6	H7	123.0°	120.0°
C1	C	H15	H16	120.0°	120.0°
C1	C	H15	H17	120.0°	120.0°
C1	C	H16	H17	120.0°	120.1°
C1	O	C2	C3	179.4°	179.9°
C1	O	C2	O1	0.1°	0.1°
O	C1	H6	H7	123.1°	120.0°
O	C1	C	H15	180.0°	60.1°
O	C1	C	H16	60.0°	59.9°
O	C1	C	H17	60.0°	180.0°
O	C2	C3	O1	179.2°	180.0°
O	C2	C3	C4	65.8°	60.0°
O	C2	C3	C7	166.2°	179.9°
C2	O	C1	H6	93.3°	60.0°
C2	O	C1	H7	28.8°	59.9°
O	C2	C3	H14	51.1°	60.1°
C2	C3	C4	C7	124.4°	119.9°
C2	C3	C4	H14	117.5°	120.1°
C2	C3	C7	H14	115.3°	120.0°
C2	C3	C4	C5	113.8°	178.7°
C2	C3	C7	N	168.9°	174.6°
C2	C3	C7	H1	48.9°	54.9°
C2	C3	C7	H2	71.0°	65.6°
C2	C3	C4	H12	127.1°	61.3°
C2	C3	C4	H13	5.4°	58.7°
O1	C2	C3	C4	114.9°	120.0°
O1	C2	C3	C7	13.0°	0.1°
O1	C2	C3	H14	128.1°	119.9°
C4	C3	C7	H14	117.7°	120.0°
C3	C4	C5	H12	119.2°	120.1°
C3	C4	C5	H13	119.2°	120.1°
C4	C3	C7	N	41.9°	54.6°
C3	C4	C5	C6	68.7°	61.4°
C4	C3	C7	H1	78.1°	65.1°
C4	C3	C7	H2	162.0°	174.5°
C3	C4	C5	H8	172.6°	178.6°
C3	C4	C5	H9	50.0°	58.6°
C3	C4	H12	H13	122.4°	120.0°
C7	C3	C4	C5	10.6°	61.4°
C3	C7	N	H1	120.0°	119.7°
C3	C7	N	H2	120.0°	120.0°
C3	C7	N	C6	34.4°	53.6°
C3	C7	N	S	147.2°	126.4°
C3	C7	H1	H2	119.9°	120.5°
C7	C3	C4	H12	108.5°	58.7°
C7	C3	C4	H13	129.8°	178.6°
C4	C5	C6	N	82.1°	54.6°
C4	C5	C6	H8	118.7°	120.0°
C4	C5	C6	H9	118.7°	120.0°
C4	C5	H8	H9	123.8°	120.1°
C4	C5	C6	H10	157.8°	174.4°
C4	C5	C6	H11	37.9°	65.3°
C5	C4	H12	H13	122.4°	119.9°
C5	C4	C3	H14	128.7°	58.5°
C7	N	S	O2	52.3°	153.9°
C7	N	C6	S	178.5°	180.0°
C7	N	C6	C5	24.1°	53.6°
C7	N	S	C8	168.2°	90.0°
C7	N	S	O3	76.0°	26.1°
N	C7	H1	H2	119.9°	120.2°
C7	N	C6	H10	144.1°	173.4°
C7	N	C6	H11	96.0°	66.3°
N	C7	C3	H14	75.8°	65.3°
O2	S	N	C6	129.4°	26.1°
O2	S	N	C8	115.9°	116.1°
O2	S	N	O3	128.3°	127.8°
O2	S	C8	O3	131.3°	136.7°
O2	S	C8	H3	180.0°	171.6°
O2	S	C8	H4	60.0°	51.7°
O2	S	C8	H5	60.0°	68.3°
N	C6	C5	H10	120.1°	119.8°
N	C6	C5	H11	120.1°	120.0°
C6	N	S	C8	13.5°	90.0°
C6	N	S	O3	102.3°	153.9°
C6	N	C7	H1	85.6°	66.1°
C6	N	C7	H2	154.4°	173.6°
N	C6	C5	H8	159.2°	174.7°
N	C6	C5	H9	36.5°	65.3°
N	C6	H10	H11	119.7°	120.4°
S	N	C6	C5	154.5°	126.4°
N	S	C8	O3	119.0°	111.6°
S	N	C7	H1	92.8°	113.8°
S	N	C7	H2	27.2°	6.5°
N	S	C8	H3	70.3°	60.0°
N	S	C8	H4	169.7°	60.0°
N	S	C8	H5	49.7°	180.0°
S	N	C6	H10	34.4°	6.6°
S	N	C6	H11	85.4°	113.7°
C6	C5	H8	H9	123.8°	120.0°
C5	C6	H10	H11	119.7°	120.3°
C6	C5	C4	H12	50.5°	58.7°
C6	C5	C4	H13	172.1°	178.6°
S	C8	H3	H4	120.0°	120.0°
S	C8	H3	H5	120.0°	120.1°
S	C8	H4	H5	120.0°	120.1°
O3	S	C8	H3	48.7°	51.7°
O3	S	C8	H4	71.3°	171.6°
O3	S	C8	H5	168.7°	68.4°
H1	C7	C3	H14	164.2°	174.9°
H2	C7	C3	H14	44.3°	54.5°
H3	C8	H4	H5	120.0°	120.0°
H6	C1	C	H15	61.0°	180.0°
H6	C1	C	H16	58.9°	60.1°
H6	C1	C	H17	178.9°	60.1°
H7	C1	C	H15	61.1°	60.1°
H7	C1	C	H16	179.0°	180.0°
H7	C1	C	H17	59.0°	59.9°
H8	C5	C6	H10	39.1°	65.6°
H8	C5	C6	H11	80.7°	54.7°
H8	C5	C4	H12	68.2°	61.3°
H8	C5	C4	H13	53.4°	58.6°
H9	C5	C6	H10	83.6°	54.4°
H9	C5	C6	H11	156.6°	174.7°
H9	C5	C4	H12	169.2°	178.7°
H9	C5	C4	H13	69.2°	61.5°
H12	C4	C3	H14	9.5°	178.6°
H13	C4	C3	H14	112.1°	61.5°
H15	C	H16	H17	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:	7FP9