Y0T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	sing	1.36Å	1.34Å
C	C1	doub	1.38Å	1.41Å	Aromatic
C1	C2	sing	1.38Å	1.37Å	Aromatic
C2	C3	doub	1.38Å	1.42Å	Aromatic
C3	S	sing	1.76Å	1.66Å
O1	S	doub	1.42Å	1.45Å
N	S	sing	1.66Å	1.66Å
C4	N	sing	1.47Å	1.39Å
C5	C4	sing	1.53Å	1.52Å
C6	C5	sing	1.51Å	1.50Å
C6	C7	doub	1.38Å	1.40Å	Aromatic
C7	C8	sing	1.38Å	1.37Å	Aromatic
C8	C9	doub	1.38Å	1.39Å	Aromatic
S1	C9	sing	1.76Å	1.71Å
C10	S1	sing	1.76Å	1.63Å
C10	C11	doub	1.38Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.39Å	1.41Å	Aromatic
O2	C13	sing	1.36Å	1.36Å
C13	C14	sing	1.39Å	1.40Å	Aromatic
O3	C14	sing	1.36Å	1.35Å
C14	C15	doub	1.39Å	1.38Å	Aromatic
C15	C10	sing	1.38Å	1.39Å	Aromatic
O4	S1	doub	1.42Å	1.44Å
O5	S1	doub	1.42Å	1.44Å
C9	C16	sing	1.38Å	1.41Å	Aromatic
C16	C17	doub	1.38Å	1.40Å	Aromatic
C17	C6	sing	1.38Å	1.41Å	Aromatic
S	O6	doub	1.42Å	1.44Å
C18	C3	sing	1.38Å	1.38Å	Aromatic
C19	C18	doub	1.39Å	1.36Å	Aromatic
C	C19	sing	1.39Å	1.41Å	Aromatic
O7	C19	sing	1.36Å	1.37Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C7	H8	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C17	H16	sing	1.08Å	1.08Å
C18	H17	sing	1.08Å	1.08Å
O7	H18	sing	0.97Å	0.95Å
O	H	sing	0.97Å	0.95Å
N	H3	sing	0.97Å	1.00Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C8	H9	sing	1.08Å	1.08Å
O3	H13	sing	0.97Å	0.95Å
O2	H12	sing	0.97Å	0.95Å
C12	H11	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	117.4°	120.1°
O	C	C19	122.7°	120.0°
C	O	H	109.5°	114.0°
C	C1	C2	117.9°	120.0°
C1	C	C19	119.6°	119.9°
C	C1	H1	121.1°	120.0°
C1	C2	C3	122.2°	120.1°
C2	C1	H1	121.0°	120.0°
C1	C2	H2	118.9°	120.0°
C2	C3	S	122.8°	119.9°
C2	C3	C18	118.7°	120.2°
C3	C2	H2	118.9°	119.9°
C3	S	O1	112.7°	106.4°
C3	S	N	90.3°	107.2°
C3	S	O6	109.1°	106.4°
S	C3	C18	118.4°	119.9°
O1	S	N	115.5°	106.4°
O1	S	O6	121.5°	123.2°
S	N	C4	125.6°	120.0°
N	S	O6	103.1°	106.4°
S	N	H3	105.3°	120.0°
N	C4	C5	116.6°	109.5°
N	C4	H4	107.7°	109.5°
N	C4	H5	107.7°	109.4°
C4	N	H3	105.3°	120.0°
C4	C5	C6	114.3°	109.5°
C5	C4	H4	107.7°	109.5°
C5	C4	H5	107.7°	109.5°
C4	C5	H6	108.3°	109.5°
C4	C5	H7	108.3°	109.5°
C5	C6	C7	115.7°	120.0°
C5	C6	C17	125.4°	119.9°
C6	C5	H6	108.3°	109.5°
C6	C5	H7	108.2°	109.5°
C6	C7	C8	121.4°	120.0°
C7	C6	C17	118.9°	120.1°
C6	C7	H8	119.3°	120.1°
C7	C8	C9	121.9°	120.0°
C8	C7	H8	119.3°	120.0°
C7	C8	H9	119.0°	120.0°
C8	C9	S1	120.3°	120.0°
C8	C9	C16	116.7°	120.0°
C9	C8	H9	119.0°	120.0°
C9	S1	C10	98.6°	107.2°
C9	S1	O4	109.3°	106.4°
C9	S1	O5	108.4°	106.4°
S1	C9	C16	122.8°	120.0°
S1	C10	C11	120.6°	119.9°
S1	C10	C15	120.6°	120.0°
C10	S1	O4	107.9°	106.4°
C10	S1	O5	109.7°	106.4°
C10	C11	C12	121.8°	120.2°
C11	C10	C15	118.9°	120.1°
C10	C11	H10	119.1°	119.9°
C11	C12	C13	118.7°	120.0°
C11	C12	H11	120.6°	120.0°
C12	C11	H10	119.1°	120.0°
C12	C13	O2	117.8°	120.1°
C12	C13	C14	119.0°	119.9°
C13	C12	H11	120.6°	120.0°
O2	C13	C14	123.1°	120.1°
C13	O2	H12	109.5°	114.0°
C13	C14	O3	118.9°	120.1°
C13	C14	C15	121.4°	119.9°
O3	C14	C15	119.7°	120.0°
C14	O3	H13	109.5°	114.0°
C14	C15	C10	120.1°	120.0°
C14	C15	H14	119.9°	120.1°
C10	C15	H14	120.0°	120.0°
O4	S1	O5	120.8°	123.1°
C9	C16	C17	122.8°	120.0°
C9	C16	H15	118.6°	120.1°
C16	C17	C6	118.3°	120.0°
C17	C16	H15	118.6°	120.0°
C16	C17	H16	120.9°	120.0°
C6	C17	H16	120.8°	120.0°
C3	C18	C19	120.3°	120.0°
C3	C18	H17	119.9°	120.0°
C18	C19	C	121.1°	119.9°
C18	C19	O7	120.0°	120.1°
C19	C18	H17	119.8°	120.0°
C	C19	O7	118.5°	120.1°
C19	O7	H18	109.5°	114.0°
H4	C4	H5	109.5°	109.5°
H6	C5	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	C19	174.9°	179.5°
O	C	C1	C2	173.0°	180.0°
O	C	C19	C18	175.0°	180.0°
O	C	C19	O7	1.5°	0.2°
O	C	C1	H1	6.9°	0.3°
C	C1	C2	H1	180.0°	179.7°
C	C1	C2	C3	1.8°	0.3°
C1	C	C19	C18	0.4°	0.5°
C1	C	C19	O7	173.1°	179.7°
C	C1	C2	H2	178.2°	179.8°
C1	C	O	H	180.0°	90.0°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	S	177.9°	180.0°
C1	C2	C3	C18	0.5°	0.0°
C2	C1	C	C19	1.8°	0.5°
C2	C3	S	C18	177.4°	180.0°
C2	C3	S	O1	24.6°	23.5°
C2	C3	S	N	93.3°	90.0°
C2	C3	S	O6	162.7°	156.5°
C2	C3	C18	C19	2.9°	0.0°
C3	C2	C1	H1	178.2°	180.0°
C2	C3	C18	H17	177.2°	179.7°
C3	S	O1	N	101.8°	114.1°
C3	S	O1	O6	132.3°	122.9°
C3	S	N	O6	109.7°	113.5°
C3	S	N	C4	130.5°	65.0°
S	C3	C18	C19	179.7°	179.9°
S	C3	C2	H2	2.1°	0.1°
S	C3	C18	H17	0.3°	0.3°
C3	S	N	H3	8.3°	115.0°
O1	S	N	O6	134.8°	133.0°
O1	S	N	C4	15.0°	178.5°
O1	S	C3	C18	158.0°	156.5°
O1	S	N	H3	107.2°	1.5°
S	N	C4	H3	122.2°	180.0°
S	N	C4	C5	130.6°	165.0°
N	S	C3	C18	84.1°	90.0°
S	N	C4	H4	108.4°	75.0°
S	N	C4	H5	9.6°	45.0°
N	C4	C5	H4	121.0°	120.0°
N	C4	C5	H5	121.0°	120.0°
N	C4	C5	C6	102.0°	180.0°
C4	N	S	O6	119.8°	48.5°
N	C4	H4	H5	116.7°	120.0°
N	C4	C5	H6	137.3°	60.0°
N	C4	C5	H7	18.7°	60.0°
C4	C5	C6	H6	120.7°	120.0°
C4	C5	C6	H7	120.7°	120.0°
C4	C5	C6	C7	145.7°	90.0°
C4	C5	C6	C17	36.6°	90.0°
C5	C4	H4	H5	116.8°	120.0°
C5	C4	N	H3	8.4°	15.0°
C4	C5	H6	H7	117.8°	120.0°
C5	C6	C7	C17	177.8°	180.0°
C5	C6	C7	C8	178.9°	179.9°
C5	C6	C17	C16	177.8°	179.4°
C6	C5	C4	H4	19.1°	60.0°
C6	C5	C4	H5	137.0°	60.0°
C5	C6	C7	H8	1.1°	0.3°
C5	C6	C17	H16	2.2°	0.3°
C6	C5	H6	H7	117.8°	120.0°
C6	C7	C8	H8	180.0°	179.7°
C6	C7	C8	C9	0.2°	0.3°
C7	C6	C17	C16	0.2°	0.5°
C7	C6	C17	H16	179.8°	179.7°
C7	C6	C5	H6	25.0°	150.0°
C7	C6	C5	H7	93.6°	30.1°
C6	C7	C8	H9	179.8°	179.7°
C7	C8	C9	H9	180.0°	179.9°
C7	C8	C9	S1	173.9°	179.5°
C7	C8	C9	C16	1.4°	0.0°
C8	C7	C6	C17	1.0°	0.0°
C8	C9	S1	C16	175.0°	179.5°
C8	C9	S1	C10	72.7°	90.5°
C8	C9	S1	O4	39.8°	156.0°
C8	C9	S1	O5	173.2°	23.0°
C8	C9	C16	C17	2.2°	0.5°
C9	C8	C7	H8	179.8°	180.0°
C8	C9	C16	H15	177.8°	180.0°
C9	S1	C10	O4	113.6°	113.5°
C9	S1	C10	O5	113.1°	113.6°
C9	S1	C10	C11	81.6°	90.0°
C9	S1	C10	C15	97.9°	90.3°
C9	S1	O4	O5	126.6°	122.9°
S1	C9	C16	C17	173.0°	180.0°
S1	C9	C16	H15	7.1°	0.4°
S1	C9	C8	H9	6.1°	0.6°
S1	C10	C11	C15	179.5°	179.7°
S1	C10	C11	C12	179.1°	180.0°
S1	C10	C15	C14	179.6°	180.0°
C10	S1	O4	O5	127.1°	123.0°
C10	S1	C9	C16	102.3°	90.0°
S1	C10	C15	H14	0.4°	0.1°
S1	C10	C11	H10	0.9°	0.0°
C10	C11	C12	H10	180.0°	180.0°
C10	C11	C12	C13	1.0°	0.0°
C11	C10	C15	C14	0.9°	0.3°
C11	C10	S1	O4	32.0°	156.5°
C11	C10	S1	O5	165.3°	23.6°
C11	C10	C15	H14	179.1°	179.8°
C10	C11	C12	H11	179.0°	179.8°
C11	C12	C13	H11	180.0°	179.8°
C11	C12	C13	O2	179.8°	180.0°
C11	C12	C13	C14	0.4°	0.2°
C12	C11	C10	C15	0.4°	0.3°
C12	C13	O2	C14	179.4°	179.8°
C12	C13	C14	O3	176.1°	180.0°
C12	C13	C14	C15	0.9°	0.2°
C12	C13	O2	H12	180.0°	90.2°
C13	C12	C11	H10	179.0°	180.0°
O2	C13	C14	O3	4.5°	0.2°
O2	C13	C14	C15	178.5°	180.0°
O2	C13	C12	H11	0.2°	0.2°
C13	C14	O3	C15	177.0°	179.8°
C13	C14	C15	C10	1.5°	0.1°
C13	C14	C15	H14	178.4°	180.0°
C13	C14	O3	H13	180.0°	89.9°
C14	C13	O2	H12	0.5°	90.0°
C14	C13	C12	H11	179.6°	180.0°
O3	C14	C15	C10	175.4°	179.7°
O3	C14	C15	H14	4.6°	0.2°
C14	C15	C10	H14	180.0°	179.9°
C15	C14	O3	H13	3.0°	90.3°
C15	C10	S1	O4	148.5°	23.2°
C15	C10	S1	O5	15.2°	156.1°
C15	C10	C11	H10	179.6°	179.7°
O4	S1	C9	C16	145.2°	23.6°
O5	S1	C9	C16	11.8°	156.5°
C9	C16	C17	H15	180.0°	179.6°
C9	C16	C17	C6	1.4°	0.7°
C9	C16	C17	H16	178.6°	179.9°
C16	C9	C8	H9	178.6°	179.9°
C16	C17	C6	H16	180.0°	179.1°
C17	C6	C7	H8	179.0°	179.7°
C6	C17	C16	H15	178.6°	179.7°
C17	C6	C5	H6	157.4°	30.0°
C17	C6	C5	H7	84.1°	150.0°
O6	S	C3	C18	20.0°	23.5°
O6	S	N	H3	118.0°	131.5°
C3	C18	C19	H17	180.0°	179.8°
C3	C18	C19	C	2.9°	0.2°
C3	C18	C19	O7	170.6°	180.0°
C18	C3	C2	H2	179.5°	180.0°
C18	C19	C	O7	173.5°	179.8°
C18	C19	O7	H18	180.0°	90.0°
C19	C	C1	H1	178.2°	179.8°
C	C19	C18	H17	177.2°	180.0°
C	C19	O7	H18	6.4°	89.7°
C19	C	O	H	5.3°	89.5°
O7	C19	C18	H17	9.4°	0.2°
H1	C1	C2	H2	1.8°	0.1°
H4	C4	N	H3	129.4°	105.0°
H4	C4	C5	H6	101.6°	180.0°
H4	C4	C5	H7	139.8°	60.1°
H5	C4	N	H3	112.6°	135.0°
H5	C4	C5	H6	16.3°	60.0°
H5	C4	C5	H7	102.3°	179.9°
H8	C7	C8	H9	0.2°	0.1°
H15	C16	C17	H16	1.4°	0.5°
H11	C12	C11	H10	1.0°	0.3°

Release date:	2023-04-12
Definition date:	2022-12-20
Last modified:	2023-04-07
Release status:	REL
Processing site:	RCSB
Derived from:	7FRY