FPS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	S1	sing	1.81Å	1.73Å
C1	C2	sing	1.51Å	1.48Å
C1	H11	sing	1.09Å	1.12Å
C1	H12A	sing	1.09Å	1.11Å
S1	PA	sing	2.12Å	1.68Å
C2	C3	doub	1.31Å	1.34Å
C2	H2	sing	1.08Å	1.10Å
C3	C4	sing	1.51Å	1.55Å
C3	C5	sing	1.51Å	1.46Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.12Å
C4	H43	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.53Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.11Å
C6	C7	sing	1.51Å	1.53Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	doub	1.31Å	1.35Å
C7	H7	sing	1.08Å	1.10Å
C8	C10	sing	1.51Å	1.49Å
C8	C9	sing	1.51Å	1.54Å
C10	C11	sing	1.53Å	1.51Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.12Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.12Å
C9	H93	sing	1.09Å	1.12Å
C11	C12	sing	1.51Å	1.50Å
C11	H111	sing	1.09Å	1.11Å
C11	H112	sing	1.09Å	1.12Å
C12	C13	doub	1.31Å	1.35Å
C12	H12	sing	1.08Å	1.10Å
C13	C14	sing	1.51Å	1.52Å
C13	C15	sing	1.51Å	1.50Å
C14	H141	sing	1.09Å	1.12Å
C14	H142	sing	1.09Å	1.12Å
C14	H143	sing	1.09Å	1.11Å
C15	H151	sing	1.09Å	1.11Å
C15	H152	sing	1.09Å	1.12Å
C15	H153	sing	1.09Å	1.11Å
PA	O1A	doub	1.48Å	1.58Å
PA	O2A	sing	1.61Å	1.54Å
PA	O3A	sing	1.61Å	1.57Å
O2A	H2A	sing	0.97Å	0.95Å
O3A	PB	sing	1.61Å	1.60Å
PB	O1B	sing	1.61Å	1.46Å
PB	O2B	doub	1.48Å	1.50Å
PB	O3B	sing	1.61Å	1.55Å
O1B	H1B	sing	0.97Å	0.95Å
O3B	H3B	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	C1	C2	86.0°	109.4°
S1	C1	H11	121.7°	109.5°
S1	C1	H12A	121.8°	109.5°
C1	S1	PA	99.5°	103.0°
C2	C1	H11	121.7°	109.5°
C2	C1	H12A	121.7°	109.5°
C1	C2	C3	141.1°	120.0°
C1	C2	H2	117.2°	120.0°
H11	C1	H12A	88.0°	109.5°
S1	PA	O1A	103.3°	109.4°
S1	PA	O2A	110.8°	109.5°
S1	PA	O3A	106.1°	109.5°
C3	C2	H2	101.7°	120.0°
C2	C3	C4	133.9°	120.0°
C2	C3	C5	107.8°	120.0°
C4	C3	C5	118.2°	120.0°
C3	C4	H41	103.8°	109.5°
C3	C4	H42	134.0°	109.4°
C3	C4	H43	103.8°	109.5°
C3	C5	C6	117.0°	109.5°
C3	C5	H51	109.5°	109.5°
C3	C5	H52	109.5°	109.5°
H41	C4	H42	103.8°	109.4°
H41	C4	H43	104.9°	109.5°
H42	C4	H43	103.8°	109.5°
C6	C5	H51	109.5°	109.5°
C6	C5	H52	109.5°	109.5°
C5	C6	C7	103.4°	109.5°
C5	C6	H61	114.5°	109.5°
C5	C6	H62	114.5°	109.5°
H51	C5	H52	100.7°	109.5°
C7	C6	H61	114.5°	109.5°
C7	C6	H62	114.5°	109.5°
C6	C7	C8	127.2°	120.0°
C6	C7	H7	123.4°	120.0°
H61	C6	H62	96.0°	109.5°
C8	C7	H7	109.4°	120.0°
C7	C8	C10	115.3°	120.0°
C7	C8	C9	126.0°	120.0°
C10	C8	C9	118.8°	120.0°
C8	C10	C11	112.7°	109.4°
C8	C10	H101	111.0°	109.4°
C8	C10	H102	111.0°	109.5°
C8	C9	H91	106.4°	109.5°
C8	C9	H92	126.0°	109.4°
C8	C9	H93	106.4°	109.5°
C11	C10	H101	111.0°	109.5°
C11	C10	H102	111.0°	109.5°
C10	C11	C12	112.4°	109.5°
C10	C11	H111	111.1°	109.5°
C10	C11	H112	111.1°	109.5°
H101	C10	H102	99.3°	109.5°
H91	C9	H92	106.4°	109.5°
H91	C9	H93	103.1°	109.5°
H92	C9	H93	106.4°	109.5°
C12	C11	H111	111.1°	109.5°
C12	C11	H112	111.1°	109.4°
C11	C12	C13	127.1°	120.0°
C11	C12	H12	122.5°	120.0°
H111	C11	H112	99.2°	109.5°
C13	C12	H12	110.3°	120.0°
C12	C13	C14	125.8°	120.0°
C12	C13	C15	121.7°	120.0°
C14	C13	C15	112.5°	120.0°
C13	C14	H141	106.5°	109.5°
C13	C14	H142	125.8°	109.5°
C13	C14	H143	106.5°	109.5°
C13	C15	H151	107.8°	109.5°
C13	C15	H152	121.7°	109.5°
C13	C15	H153	107.8°	109.4°
H141	C14	H142	106.4°	109.5°
H141	C14	H143	103.1°	109.4°
H142	C14	H143	106.5°	109.5°
H151	C15	H152	107.9°	109.5°
H151	C15	H153	102.0°	109.5°
H152	C15	H153	107.8°	109.5°
O1A	PA	O2A	122.8°	109.5°
O1A	PA	O3A	101.2°	109.5°
O2A	PA	O3A	111.1°	109.5°
PA	O2A	H2A	110.8°	114.0°
PA	O3A	PB	127.4°	134.0°
O3A	PB	O1B	117.4°	109.5°
O3A	PB	O2B	112.3°	109.4°
O3A	PB	O3B	112.3°	109.5°
O1B	PB	O2B	108.2°	109.5°
O1B	PB	O3B	101.4°	109.5°
PB	O1B	H1B	117.4°	114.0°
O2B	PB	O3B	103.8°	109.5°
PB	O3B	H3B	112.3°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C1	C2	H11	125.2°	120.0°
S1	C1	C2	H12A	125.3°	120.0°
S1	C1	H11	H12A	126.7°	120.0°
S1	C1	C2	C3	127.2°	116.5°
S1	C1	C2	H2	52.8°	63.5°
C1	S1	PA	O1A	104.9°	60.0°
C1	S1	PA	O2A	28.4°	60.0°
C1	S1	PA	O3A	149.1°	180.0°
C2	C1	H11	H12A	126.7°	120.0°
C2	C1	S1	PA	120.8°	75.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.1°	6.0°
C1	C2	C3	C5	178.5°	174.0°
H11	C1	S1	PA	4.5°	165.0°
H11	C1	C2	C3	1.9°	3.6°
H11	C1	C2	H2	178.1°	176.5°
H12A	C1	S1	PA	114.0°	45.0°
H12A	C1	C2	C3	107.6°	123.6°
H12A	C1	C2	H2	72.5°	56.4°
S1	PA	O1A	O2A	125.9°	120.0°
S1	PA	O1A	O3A	109.7°	120.0°
S1	PA	O2A	O3A	117.7°	120.0°
S1	PA	O2A	H2A	180.0°	60.0°
S1	PA	O3A	PB	127.3°	180.0°
C2	C3	C4	C5	178.5°	180.0°
C2	C3	C4	H41	54.8°	85.3°
C2	C3	C4	H42	180.0°	154.8°
C2	C3	C4	H43	54.7°	34.8°
C2	C3	C5	C6	78.8°	95.0°
C2	C3	C5	H51	46.5°	145.0°
C2	C3	C5	H52	156.0°	25.0°
H2	C2	C3	C4	179.9°	174.0°
H2	C2	C3	C5	1.5°	6.0°
C3	C4	H41	H42	142.7°	119.9°
C3	C4	H41	H43	108.6°	120.0°
C3	C4	H42	H43	125.3°	120.0°
C4	C3	C5	C6	102.4°	85.0°
C4	C3	C5	H51	132.4°	35.0°
C4	C3	C5	H52	22.9°	155.0°
C5	C3	C4	H41	123.7°	94.8°
C5	C3	C4	H42	1.5°	25.2°
C5	C3	C4	H43	126.8°	145.2°
C3	C5	C6	H51	125.3°	120.0°
C3	C5	C6	H52	125.3°	120.0°
C3	C5	H51	H52	115.3°	120.0°
C3	C5	C6	C7	161.0°	180.0°
C3	C5	C6	H61	35.8°	60.0°
C3	C5	C6	H62	73.7°	60.0°
H41	C4	H42	H43	109.5°	120.1°
C6	C5	H51	H52	115.3°	120.0°
C5	C6	C7	H61	125.2°	120.0°
C5	C6	C7	H62	125.3°	120.0°
C5	C6	H61	H62	120.4°	120.0°
C5	C6	C7	C8	91.2°	120.5°
C5	C6	C7	H7	88.9°	59.5°
H51	C5	C6	C7	73.7°	60.0°
H51	C5	C6	H61	161.0°	180.0°
H51	C5	C6	H62	51.5°	60.0°
H52	C5	C6	C7	35.7°	60.0°
H52	C5	C6	H61	89.5°	60.0°
H52	C5	C6	H62	161.0°	180.0°
C7	C6	H61	H62	120.4°	120.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C10	179.2°	173.9°
C6	C7	C8	C9	0.9°	6.0°
H61	C6	C7	C8	143.6°	0.5°
H61	C6	C7	H7	36.4°	179.5°
H62	C6	C7	C8	34.1°	119.5°
H62	C6	C7	H7	145.9°	60.5°
C7	C8	C10	C9	179.9°	180.0°
C7	C8	C10	C11	109.5°	95.0°
C7	C8	C10	H101	125.3°	145.0°
C7	C8	C10	H102	15.8°	25.0°
C7	C8	C9	H91	54.7°	85.5°
C7	C8	C9	H92	180.0°	154.5°
C7	C8	C9	H93	54.7°	34.6°
H7	C7	C8	C10	0.8°	6.1°
H7	C7	C8	C9	179.1°	174.0°
C8	C10	C11	H101	125.3°	120.0°
C8	C10	C11	H102	125.3°	120.0°
C8	C10	H101	H102	116.9°	120.0°
C10	C8	C9	H91	125.2°	94.5°
C10	C8	C9	H92	0.1°	25.5°
C10	C8	C9	H93	125.4°	145.5°
C8	C10	C11	C12	102.8°	180.0°
C8	C10	C11	H111	22.5°	60.0°
C8	C10	C11	H112	132.0°	60.1°
C9	C8	C10	C11	70.4°	85.0°
C9	C8	C10	H101	54.8°	35.0°
C9	C8	C10	H102	164.3°	155.0°
C8	C9	H91	H92	136.5°	120.0°
C8	C9	H91	H93	111.8°	120.0°
C8	C9	H92	H93	125.3°	120.0°
C11	C10	H101	H102	116.9°	120.0°
C10	C11	C12	H111	125.3°	120.0°
C10	C11	C12	H112	125.3°	120.0°
C10	C11	H111	H112	117.0°	120.1°
C10	C11	C12	C13	122.0°	125.0°
C10	C11	C12	H12	58.0°	55.0°
H101	C10	C11	C12	132.0°	60.0°
H101	C10	C11	H111	102.8°	180.0°
H101	C10	C11	H112	6.7°	59.9°
H102	C10	C11	C12	22.5°	60.0°
H102	C10	C11	H111	147.8°	60.0°
H102	C10	C11	H112	102.8°	179.9°
H91	C9	H92	H93	109.5°	120.1°
C12	C11	H111	H112	117.0°	119.9°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.2°	0.0°
C11	C12	C13	C15	180.0°	180.0°
H111	C11	C12	C13	112.7°	5.0°
H111	C11	C12	H12	67.3°	175.0°
H112	C11	C12	C13	3.2°	115.0°
H112	C11	C12	H12	176.8°	65.0°
C12	C13	C14	C15	179.8°	180.0°
C12	C13	C14	H141	54.7°	60.0°
C12	C13	C14	H142	180.0°	180.0°
C12	C13	C14	H143	54.7°	60.0°
C12	C13	C15	H151	54.7°	90.0°
C12	C13	C15	H152	180.0°	150.0°
C12	C13	C15	H153	54.7°	30.0°
H12	C12	C13	C14	179.8°	180.0°
H12	C12	C13	C15	0.0°	0.0°
C13	C14	H141	H142	136.3°	120.0°
C13	C14	H141	H143	111.8°	120.0°
C13	C14	H142	H143	125.3°	120.0°
C14	C13	C15	H151	125.5°	90.0°
C14	C13	C15	H152	0.2°	30.0°
C14	C13	C15	H153	125.1°	150.0°
C15	C13	C14	H141	125.1°	120.0°
C15	C13	C14	H142	0.2°	0.0°
C15	C13	C14	H143	125.5°	120.0°
C13	C15	H151	H152	133.2°	120.0°
C13	C15	H151	H153	113.4°	120.0°
C13	C15	H152	H153	125.2°	120.0°
H141	C14	H142	H143	109.4°	120.0°
H151	C15	H152	H153	109.5°	120.1°
O1A	PA	O2A	O3A	119.8°	120.0°
O1A	PA	O2A	H2A	57.4°	180.0°
O1A	PA	O3A	PB	125.1°	60.0°
O2A	PA	O3A	PB	6.9°	60.1°
O3A	PA	O2A	H2A	62.3°	60.0°
PA	O3A	PB	O1B	157.9°	74.9°
PA	O3A	PB	O2B	31.5°	45.0°
PA	O3A	PB	O3B	85.1°	165.0°
O3A	PB	O1B	O2B	128.4°	119.9°
O3A	PB	O1B	O3B	122.7°	120.0°
O3A	PB	O2B	O3B	121.6°	120.0°
O3A	PB	O1B	H1B	180.0°	60.0°
O3A	PB	O3B	H3B	180.0°	180.0°
O1B	PB	O2B	O3B	107.2°	120.0°
O1B	PB	O3B	H3B	53.8°	60.0°
O2B	PB	O1B	H1B	51.6°	180.0°
O2B	PB	O3B	H3B	58.4°	60.0°
O3B	PB	O1B	H1B	57.3°	60.0°

Definition date:	2005-03-16
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1X06