S4O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C11	sing	1.35Å	1.40Å
C11	C10	sing	1.42Å	1.38Å
C11	C12	doub	1.38Å	1.38Å
C10	C9	doub	1.36Å	1.38Å
C12	C13	sing	1.41Å	1.37Å
O2	C8	doub	1.21Å	1.18Å
C9	C8	sing	1.48Å	1.53Å
C9	O5	sing	1.35Å	1.35Å
C8	N3	sing	1.35Å	1.46Å
C13	O5	sing	1.34Å	1.33Å
C13	O4	doub	1.22Å	1.19Å
N3	C6	sing	1.47Å	1.39Å
N3	C5	sing	1.47Å	1.48Å
C6	C7	sing	1.51Å	1.44Å
C5	C4	sing	1.53Å	1.59Å
C1	N1	sing	1.47Å	1.45Å
C7	N1	sing	1.34Å	1.35Å	Aromatic
C7	C3	doub	1.36Å	1.32Å	Aromatic
N1	N2	sing	1.40Å	1.27Å	Aromatic
C4	C3	sing	1.51Å	1.57Å
C3	C2	sing	1.40Å	1.62Å	Aromatic
N2	C2	doub	1.31Å	1.35Å	Aromatic
C2	O1	sing	1.36Å	1.40Å
C12	H13	sing	1.08Å	1.08Å
O3	H12	sing	0.97Å	0.95Å
C10	H11	sing	1.08Å	1.08Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
O1	H4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C11	C10	120.3°	120.6°
O3	C11	C12	119.7°	120.7°
C11	O3	H12	109.5°	114.0°
C10	C11	C12	120.0°	118.7°
C11	C10	C9	118.3°	119.7°
C11	C10	H11	120.8°	120.2°
C11	C12	C13	120.4°	119.0°
C11	C12	H13	119.8°	120.5°
C10	C9	C8	123.0°	119.5°
C10	C9	O5	119.5°	121.0°
C9	C10	H11	120.9°	120.1°
C12	C13	O5	118.2°	120.2°
C12	C13	O4	121.0°	119.8°
C13	C12	H13	119.8°	120.5°
O2	C8	C9	120.5°	120.0°
O2	C8	N3	120.8°	120.0°
C8	C9	O5	117.5°	119.5°
C9	C8	N3	118.7°	120.0°
C9	O5	C13	123.7°	121.3°
C8	N3	C6	121.7°	120.8°
C8	N3	C5	120.9°	120.8°
O5	C13	O4	120.9°	119.9°
C6	N3	C5	117.4°	118.4°
N3	C6	C7	117.6°	107.2°
N3	C6	H9	107.4°	109.9°
N3	C6	H10	107.4°	110.0°
N3	C5	C4	113.4°	109.1°
N3	C5	H7	108.5°	109.5°
N3	C5	H8	108.5°	109.5°
C6	C7	N1	138.1°	128.1°
C6	C7	C3	119.2°	123.8°
C7	C6	H9	107.4°	109.9°
C7	C6	H10	107.4°	109.9°
C5	C4	C3	111.5°	108.8°
C4	C5	H7	108.5°	109.5°
C4	C5	H8	108.4°	109.5°
C5	C4	H5	109.0°	109.5°
C5	C4	H6	109.0°	109.6°
C1	N1	C7	118.6°	126.0°
C1	N1	N2	117.5°	126.1°
N1	C1	H2	109.5°	109.4°
N1	C1	H1	109.5°	109.5°
N1	C1	H3	109.5°	109.4°
N1	C7	C3	102.6°	108.1°
C7	N1	N2	123.9°	107.9°
C7	C3	C4	124.9°	124.5°
C7	C3	C2	105.3°	107.8°
N1	N2	C2	103.1°	108.2°
C4	C3	C2	129.8°	127.7°
C3	C4	H5	109.0°	109.6°
C3	C4	H6	109.0°	109.6°
C3	C2	N2	105.1°	108.0°
C3	C2	O1	124.4°	126.0°
N2	C2	O1	130.6°	126.0°
C2	O1	H4	109.5°	114.0°
H9	C6	H10	109.5°	109.9°
H7	C5	H8	109.5°	109.6°
H5	C4	H6	109.5°	109.7°
H2	C1	H1	109.5°	109.5°
H2	C1	H3	109.4°	109.5°
H1	C1	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C11	C10	C12	178.9°	179.9°
O3	C11	C10	C9	179.0°	179.9°
O3	C11	C12	C13	179.1°	179.9°
O3	C11	C12	H13	0.9°	0.0°
O3	C11	C10	H11	1.0°	0.0°
C11	C10	C9	H11	180.0°	180.0°
C10	C11	C12	C13	0.2°	0.0°
C11	C10	C9	C8	179.8°	180.0°
C11	C10	C9	O5	0.6°	0.0°
C10	C11	C12	H13	179.8°	180.0°
C10	C11	O3	H12	180.0°	180.0°
C12	C11	C10	C9	0.1°	0.0°
C11	C12	C13	H13	180.0°	179.9°
C11	C12	C13	O5	0.8°	0.1°
C11	C12	C13	O4	180.0°	180.0°
C12	C11	O3	H12	1.0°	0.1°
C12	C11	C10	H11	179.9°	180.0°
C10	C9	C8	O2	42.6°	8.8°
C10	C9	C8	O5	179.7°	180.0°
C10	C9	C8	N3	138.5°	171.3°
C10	C9	O5	C13	1.2°	0.1°
C12	C13	O5	C9	1.3°	0.1°
C12	C13	O5	O4	179.2°	179.9°
O2	C8	C9	N3	179.0°	179.9°
O2	C8	C9	O5	137.1°	171.3°
O2	C8	N3	C6	0.0°	178.7°
O2	C8	N3	C5	179.8°	1.3°
C8	C9	O5	C13	179.1°	180.0°
C9	C8	N3	C6	179.0°	1.3°
C9	C8	N3	C5	0.9°	178.7°
C8	C9	C10	H11	0.2°	0.0°
O5	C9	C8	N3	41.9°	8.7°
C9	O5	C13	O4	179.5°	180.0°
O5	C9	C10	H11	179.4°	180.0°
C8	N3	C6	C5	179.9°	180.0°
C8	N3	C6	C7	131.9°	135.7°
C8	N3	C5	C4	138.1°	115.5°
C8	N3	C6	H9	10.7°	104.9°
C8	N3	C6	H10	106.9°	16.3°
C8	N3	C5	H7	101.3°	4.4°
C8	N3	C5	H8	17.5°	124.6°
O5	C13	C12	H13	179.2°	180.0°
O4	C13	C12	H13	0.0°	0.1°
N3	C6	C7	H9	121.2°	119.4°
N3	C6	C7	H10	121.1°	119.5°
C6	N3	C5	C4	41.8°	64.5°
N3	C6	C7	N1	153.5°	168.9°
N3	C6	C7	C3	25.4°	11.3°
N3	C6	H9	H10	116.3°	121.2°
C6	N3	C5	H7	78.8°	175.6°
C6	N3	C5	H8	162.4°	55.4°
C5	N3	C6	C7	48.0°	44.3°
N3	C5	C4	H7	120.6°	119.9°
N3	C5	C4	H8	120.6°	119.9°
N3	C5	C4	C3	15.8°	45.4°
C5	N3	C6	H9	169.1°	75.1°
C5	N3	C6	H10	73.2°	163.8°
N3	C5	H7	H8	118.2°	120.2°
N3	C5	C4	H5	136.1°	165.2°
N3	C5	C4	H6	104.5°	74.4°
C6	C7	N1	C1	0.7°	0.1°
C6	C7	N1	C3	179.0°	179.8°
C6	C7	N1	N2	179.6°	179.5°
C6	C7	C3	C4	0.6°	0.5°
C6	C7	C3	C2	179.6°	179.5°
C7	C6	H9	H10	116.3°	121.1°
C5	C4	C3	C7	4.3°	18.0°
C5	C4	C3	H5	120.3°	119.7°
C5	C4	C3	H6	120.3°	119.9°
C5	C4	C3	C2	176.0°	162.0°
C4	C5	H7	H8	118.2°	120.2°
C5	C4	H5	H6	119.1°	120.4°
C1	N1	C7	N2	179.7°	179.7°
C1	N1	C7	C3	179.7°	179.9°
C1	N1	N2	C2	179.7°	179.8°
N1	C1	H2	H1	120.0°	120.0°
N1	C1	H2	H3	120.0°	119.9°
N1	C1	H1	H3	120.0°	120.0°
N1	C7	C3	C4	179.9°	179.7°
N1	C7	C3	C2	0.3°	0.3°
C7	N1	N2	C2	0.6°	0.2°
N1	C7	C6	H9	32.3°	71.6°
N1	C7	C6	H10	85.4°	49.5°
C7	N1	C1	H2	179.7°	90.3°
C7	N1	C1	H1	60.3°	29.7°
C7	N1	C1	H3	59.7°	149.7°
C3	C7	N1	N2	0.6°	0.3°
C7	C3	C4	C2	179.8°	179.9°
C7	C3	C2	N2	0.1°	0.2°
C7	C3	C2	O1	179.9°	179.9°
C3	C7	C6	H9	146.5°	108.2°
C3	C7	C6	H10	95.8°	130.8°
C7	C3	C4	H5	116.0°	137.7°
C7	C3	C4	H6	124.6°	101.8°
N1	N2	C2	C3	0.3°	0.0°
N1	N2	C2	O1	179.8°	180.0°
N2	N1	C1	H2	0.0°	90.1°
N2	N1	C1	H1	120.0°	149.9°
N2	N1	C1	H3	120.0°	29.9°
C4	C3	C2	N2	179.9°	179.8°
C4	C3	C2	O1	0.1°	0.2°
C3	C4	C5	H7	104.8°	165.3°
C3	C4	C5	H8	136.4°	74.5°
C3	C4	H5	H6	119.1°	120.3°
C3	C2	N2	O1	179.9°	179.9°
C2	C3	C4	H5	63.8°	42.3°
C2	C3	C4	H6	55.6°	78.1°
C3	C2	O1	H4	179.9°	90.0°
N2	C2	O1	H4	0.0°	90.0°
H7	C5	C4	H5	15.5°	74.9°
H7	C5	C4	H6	134.9°	45.5°
H8	C5	C4	H5	103.3°	45.3°
H8	C5	C4	H6	16.1°	165.7°
H2	C1	H1	H3	120.0°	120.1°

Release date:	2022-07-13
Definition date:	2022-06-23
Last modified:	2022-07-08
Release status:	REL
Processing site:	RCSB
Derived from:	5SPM