Y2W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.53Å	1.52Å
C2	C1	sing	1.53Å	1.52Å
O1	C3	sing	1.43Å	1.44Å
C3	C4	sing	1.53Å	1.52Å
C1	N1	sing	1.47Å	1.50Å
C1	C6	sing	1.53Å	1.53Å
O6	S1	doub	1.42Å	1.44Å
C4	C5	sing	1.53Å	1.52Å
C4	O2	sing	1.43Å	1.44Å
C6	C7	sing	1.53Å	1.52Å
C6	C5	sing	1.53Å	1.53Å
C7	S1	sing	1.81Å	1.79Å
C5	O3	sing	1.43Å	1.44Å
O4	S1	doub	1.42Å	1.44Å
S1	O5	sing	1.52Å	1.45Å
C5	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
N1	H10	sing	1.01Å	1.00Å
N1	H11	sing	1.01Å	1.00Å
O1	H13	sing	0.97Å	0.95Å
O2	H14	sing	0.97Å	0.95Å
O3	H15	sing	0.97Å	0.95Å
O5	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	C1	118.3°	109.5°
C2	C3	O1	109.7°	109.5°
C2	C3	C4	111.8°	109.5°
C2	C3	H3	108.6°	109.5°
C3	C2	H7	107.2°	109.5°
C3	C2	H8	107.2°	109.5°
C2	C1	N1	109.2°	109.5°
C2	C1	C6	113.7°	109.5°
C1	C2	H7	107.2°	109.4°
C1	C2	H8	107.2°	109.5°
C2	C1	H9	108.1°	109.5°
O1	C3	C4	108.4°	109.5°
O1	C3	H3	109.7°	109.5°
C3	O1	H13	109.5°	114.0°
C3	C4	C5	110.8°	109.5°
C3	C4	O2	110.6°	109.5°
C3	C4	H2	107.3°	109.4°
C4	C3	H3	108.6°	109.4°
N1	C1	C6	109.2°	109.5°
N1	C1	H9	108.4°	109.5°
C1	N1	H10	109.5°	111.0°
C1	N1	H11	109.5°	111.1°
C1	C6	C7	110.9°	109.4°
C1	C6	C5	112.9°	109.5°
C1	C6	H4	106.2°	109.5°
C6	C1	H9	108.0°	109.5°
O6	S1	C7	104.6°	110.5°
O6	S1	O4	116.2°	121.1°
O6	S1	O5	113.6°	104.3°
C5	C4	O2	112.2°	109.5°
C4	C5	C6	111.3°	109.5°
C4	C5	O3	109.4°	109.5°
C4	C5	H1	108.8°	109.5°
C5	C4	H2	107.4°	109.5°
O2	C4	H2	108.3°	109.4°
C4	O2	H14	109.5°	114.0°
C7	C6	C5	113.7°	109.5°
C6	C7	S1	119.0°	109.5°
C7	C6	H4	106.3°	109.5°
C6	C7	H5	107.0°	109.5°
C6	C7	H6	107.0°	109.4°
C6	C5	O3	108.8°	109.5°
C6	C5	H1	108.6°	109.5°
C5	C6	H4	106.2°	109.5°
C7	S1	O4	103.5°	110.5°
C7	S1	O5	106.0°	104.4°
S1	C7	H5	107.0°	109.5°
S1	C7	H6	107.1°	109.5°
O3	C5	H1	109.8°	109.5°
C5	O3	H15	109.5°	114.0°
O4	S1	O5	111.5°	104.3°
S1	O5	H12	109.5°	114.0°
H5	C7	H6	109.5°	109.5°
H7	C2	H8	109.5°	109.5°
H10	N1	H11	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	C1	H7	121.3°	120.0°
C3	C2	C1	H8	121.2°	120.0°
C2	C3	O1	C4	122.3°	120.0°
C2	C3	O1	H3	119.3°	120.0°
C2	C3	C4	H3	119.8°	120.0°
C3	C2	C1	N1	75.6°	180.0°
C3	C2	C1	C6	46.6°	60.0°
C2	C3	C4	C5	36.1°	60.0°
C2	C3	C4	O2	161.1°	180.0°
C2	C3	C4	H2	80.9°	60.0°
C3	C2	H7	H8	116.0°	120.0°
C3	C2	C1	H9	166.6°	60.0°
C2	C3	O1	H13	180.0°	60.0°
C1	C2	C3	O1	101.1°	180.0°
C1	C2	C3	C4	19.1°	60.0°
C2	C1	N1	C6	124.9°	120.0°
C2	C1	N1	H9	117.6°	120.0°
C2	C1	C6	H9	120.0°	120.0°
C2	C1	C6	C7	113.5°	180.0°
C2	C1	C6	C5	15.5°	60.0°
C1	C2	C3	H3	138.9°	60.0°
C2	C1	C6	H4	131.4°	60.0°
C1	C2	H7	H8	116.0°	120.0°
C2	C1	N1	H10	180.0°	60.1°
C2	C1	N1	H11	60.0°	63.9°
O1	C3	C4	H3	119.1°	120.0°
O1	C3	C4	C5	157.1°	180.0°
O1	C3	C4	O2	77.8°	60.0°
O1	C3	C4	H2	40.2°	60.0°
O1	C3	C2	H7	137.6°	60.1°
O1	C3	C2	H8	20.1°	60.0°
C3	C4	C5	O2	124.1°	120.0°
C3	C4	C5	H2	116.9°	120.0°
C3	C4	O2	H2	117.4°	119.9°
C3	C4	C5	C6	67.0°	60.0°
C3	C4	C5	O3	172.7°	180.0°
C3	C4	C5	H1	52.7°	60.0°
C4	C3	C2	H7	102.2°	179.9°
C4	C3	C2	H8	140.4°	60.0°
C4	C3	O1	H13	57.7°	180.0°
C3	C4	O2	H14	180.0°	60.0°
N1	C1	C6	H9	117.7°	120.0°
N1	C1	C6	C7	124.3°	60.0°
N1	C1	C6	C5	106.8°	180.0°
N1	C1	C6	H4	9.2°	59.9°
N1	C1	C2	H7	163.1°	60.0°
N1	C1	C2	H8	45.6°	60.0°
C1	N1	H10	H11	120.0°	124.0°
C1	C6	C5	C4	38.4°	60.0°
C1	C6	C7	C5	128.5°	120.0°
C1	C6	C7	H4	115.0°	120.0°
C1	C6	C5	H4	116.0°	120.0°
C1	C6	C7	S1	71.5°	65.4°
C1	C6	C5	O3	159.0°	180.0°
C1	C6	C5	H1	81.5°	60.0°
C1	C6	C7	H5	167.1°	54.6°
C1	C6	C7	H6	49.8°	174.6°
C6	C1	C2	H7	74.7°	180.0°
C6	C1	C2	H8	167.9°	60.0°
C6	C1	N1	H10	55.1°	180.0°
C6	C1	N1	H11	175.1°	56.0°
O6	S1	C7	C6	57.7°	71.3°
O6	S1	C7	O4	122.2°	136.7°
O6	S1	C7	O5	120.4°	111.6°
O6	S1	O4	O5	132.4°	116.8°
O6	S1	C7	H5	179.1°	168.6°
O6	S1	C7	H6	63.6°	48.7°
O6	S1	O5	H12	133.8°	64.0°
C5	C4	O2	H2	118.3°	120.1°
C4	C5	C6	C7	165.8°	180.0°
C4	C5	C6	O3	120.7°	120.0°
C4	C5	C6	H1	119.8°	120.0°
C4	C5	O3	H1	119.4°	120.0°
C5	C4	C3	H3	83.7°	60.0°
C4	C5	C6	H4	77.6°	60.0°
C5	C4	O2	H14	55.7°	180.0°
C4	C5	O3	H15	180.0°	60.0°
O2	C4	C5	C6	168.9°	180.0°
O2	C4	C5	O3	48.6°	60.0°
O2	C4	C5	H1	71.4°	60.0°
O2	C4	C3	H3	41.3°	60.1°
C7	C6	C5	H4	116.6°	120.0°
C6	C7	S1	H5	121.3°	120.1°
C6	C7	S1	H6	121.4°	120.0°
C7	C6	C5	O3	73.5°	60.0°
C6	C7	S1	O4	179.9°	65.4°
C6	C7	S1	O5	62.7°	177.1°
C7	C6	C5	H1	46.0°	60.0°
C6	C7	H5	H6	115.7°	120.0°
C7	C6	C1	H9	6.5°	60.0°
C5	C6	C7	S1	160.0°	54.6°
C6	C5	O3	H1	118.8°	120.0°
C6	C5	C4	H2	50.0°	60.0°
C5	C6	C7	H5	38.6°	174.6°
C5	C6	C7	H6	78.7°	65.4°
C5	C6	C1	H9	135.5°	60.0°
C6	C5	O3	H15	58.2°	180.0°
C7	S1	O4	O5	113.5°	111.7°
S1	C7	C6	H4	43.5°	174.6°
S1	C7	H5	H6	115.7°	120.0°
C7	S1	O5	H12	111.9°	179.9°
O3	C5	C4	H2	70.3°	60.0°
O3	C5	C6	H4	43.0°	60.0°
O4	S1	C7	H5	58.8°	54.6°
O4	S1	C7	H6	58.5°	174.6°
O4	S1	O5	H12	0.0°	63.9°
O5	S1	C7	H5	58.7°	57.0°
O5	S1	C7	H6	176.0°	63.0°
H1	C5	C4	H2	169.7°	180.0°
H1	C5	C6	H4	162.5°	180.0°
H1	C5	O3	H15	60.6°	60.0°
H2	C4	C3	H3	159.3°	180.0°
H2	C4	O2	H14	62.6°	59.9°
H3	C3	C2	H7	17.6°	60.0°
H3	C3	C2	H8	99.9°	180.0°
H3	C3	O1	H13	60.7°	60.0°
H4	C6	C7	H5	77.9°	65.3°
H4	C6	C7	H6	164.8°	54.6°
H4	C6	C1	H9	108.5°	180.0°
H7	C2	C1	H9	45.3°	60.0°
H8	C2	C1	H9	72.2°	180.0°
H9	C1	N1	H10	62.4°	60.0°
H9	C1	N1	H11	57.6°	176.0°

Release date:	2024-05-08
Definition date:	2023-11-16
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBE
Derived from:	8R56