4VK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C4	doub	1.38Å	1.39Å	Aromatic
C5	C	sing	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
O1	S	doub	1.42Å	1.43Å
C	C1	doub	1.38Å	1.39Å	Aromatic
C3	S	sing	1.76Å	1.77Å
C3	C2	doub	1.38Å	1.39Å	Aromatic
S	O	doub	1.42Å	1.43Å
S	N	sing	1.66Å	1.62Å
C1	C2	sing	1.38Å	1.39Å	Aromatic
N	C6	sing	1.46Å	1.47Å
C6	C7	sing	1.51Å	1.51Å
C7	C8	doub	1.38Å	1.39Å	Aromatic
C7	C12	sing	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C12	C11	doub	1.38Å	1.39Å	Aromatic
C9	C10	doub	1.39Å	1.40Å	Aromatic
C11	C10	sing	1.39Å	1.40Å	Aromatic
C10	C13	sing	1.48Å	1.49Å
C14	C13	doub	1.39Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C13	C18	sing	1.39Å	1.40Å	Aromatic
C15	C16	doub	1.38Å	1.38Å	Aromatic
C18	C17	doub	1.38Å	1.39Å	Aromatic
C16	C17	sing	1.38Å	1.39Å	Aromatic
C17	C19	sing	1.51Å	1.50Å
O2	C19	sing	1.43Å	1.41Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.09Å	1.10Å
C19	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.08Å	1.08Å
C5	H13	sing	1.08Å	1.08Å
C	H14	sing	1.08Å	1.08Å
N	H15	sing	0.97Å	1.00Å
C6	H16	sing	1.09Å	1.10Å
C6	H17	sing	1.09Å	1.10Å
C18	H18	sing	1.08Å	1.08Å
O2	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C5	C	120.5°	120.0°
C5	C4	C3	119.1°	120.0°
C5	C4	H12	120.4°	120.0°
C4	C5	H13	119.8°	120.0°
C5	C	C1	119.9°	120.0°
C	C5	H13	119.8°	120.0°
C5	C	H14	120.0°	120.0°
C4	C3	S	119.5°	120.0°
C4	C3	C2	120.9°	120.0°
C3	C4	H12	120.4°	120.0°
O1	S	C3	108.0°	106.4°
O1	S	O	119.2°	123.2°
O1	S	N	106.6°	106.4°
C	C1	C2	120.4°	120.0°
C	C1	H1	119.8°	120.0°
C1	C	H14	120.1°	120.0°
S	C3	C2	119.6°	120.0°
C3	S	O	108.0°	106.4°
C3	S	N	107.3°	107.2°
C3	C2	C1	119.2°	120.0°
C3	C2	H2	120.4°	120.0°
O	S	N	107.1°	106.4°
S	N	C6	121.7°	120.0°
S	N	H15	106.3°	120.0°
C2	C1	H1	119.8°	120.0°
C1	C2	H2	120.4°	120.0°
N	C6	C7	112.4°	109.5°
C6	N	H15	106.3°	120.0°
N	C6	H16	108.7°	109.5°
N	C6	H17	108.7°	109.5°
C6	C7	C8	120.2°	119.9°
C6	C7	C12	121.4°	119.9°
C7	C6	H16	108.7°	109.4°
C7	C6	H17	108.7°	109.4°
C8	C7	C12	118.1°	120.2°
C7	C8	C9	121.0°	120.1°
C7	C8	H3	119.5°	119.9°
C7	C12	C11	121.0°	120.1°
C7	C12	H6	119.5°	119.9°
C8	C9	C10	121.3°	119.9°
C9	C8	H3	119.5°	119.9°
C8	C9	H4	119.4°	120.1°
C12	C11	C10	121.1°	119.9°
C12	C11	H5	119.5°	120.0°
C11	C12	H6	119.5°	120.0°
C9	C10	C11	117.4°	119.8°
C9	C10	C13	121.0°	120.2°
C10	C9	H4	119.4°	120.0°
C11	C10	C13	121.6°	120.1°
C10	C11	H5	119.4°	120.1°
C10	C13	C14	121.1°	120.1°
C10	C13	C18	120.8°	120.2°
C13	C14	C15	120.9°	119.9°
C14	C13	C18	118.0°	119.8°
C13	C14	H7	119.6°	120.1°
C14	C15	C16	120.0°	120.1°
C15	C14	H7	119.6°	120.0°
C14	C15	H8	120.0°	119.9°
C13	C18	C17	121.8°	119.9°
C13	C18	H18	119.1°	120.1°
C15	C16	C17	120.6°	120.3°
C16	C15	H8	120.0°	120.0°
C15	C16	H9	119.7°	119.9°
C18	C17	C16	118.7°	120.1°
C18	C17	C19	120.4°	119.9°
C17	C18	H18	119.1°	120.1°
C16	C17	C19	120.9°	120.0°
C17	C16	H9	119.7°	119.9°
C17	C19	O2	111.5°	109.5°
C17	C19	H10	108.9°	109.5°
C17	C19	H11	109.0°	109.4°
O2	C19	H10	109.0°	109.5°
O2	C19	H11	109.0°	109.4°
C19	O2	H19	109.5°	114.0°
H10	C19	H11	109.5°	109.5°
H16	C6	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C5	C	H13	180.0°	179.7°
C5	C4	C3	H12	180.0°	180.0°
C4	C5	C	C1	0.6°	0.6°
C5	C4	C3	S	175.3°	180.0°
C5	C4	C3	C2	1.4°	NaN°
C4	C5	C	H14	179.4°	180.0°
C	C5	C4	C3	0.5°	0.3°
C5	C	C1	H14	180.0°	179.4°
C5	C	C1	C2	0.7°	0.6°
C5	C	C1	H1	179.3°	179.7°
C	C5	C4	H12	179.5°	179.7°
C4	C3	S	O1	12.5°	23.5°
C4	C3	S	C2	176.8°	180.0°
C4	C3	S	O	142.7°	156.5°
C4	C3	S	N	102.1°	90.0°
C4	C3	C2	C1	1.3°	NaN°
C4	C3	C2	H2	178.7°	180.0°
C3	C4	C5	H13	179.5°	180.0°
O1	S	C3	O	130.2°	133.0°
O1	S	C3	N	114.6°	113.5°
O1	S	C3	C2	170.7°	156.5°
O1	S	O	N	121.0°	123.0°
O1	S	N	C6	169.5°	48.5°
O1	S	N	H15	47.8°	131.4°
C	C1	C2	C3	0.2°	0.3°
C	C1	C2	H1	180.0°	179.7°
C	C1	C2	H2	179.8°	179.7°
C1	C	C5	H13	179.4°	179.7°
C3	S	O	N	115.3°	114.0°
S	C3	C2	C1	175.5°	180.0°
C3	S	N	C6	75.0°	65.0°
S	C3	C2	H2	4.5°	0.0°
S	C3	C4	H12	4.7°	0.0°
C3	S	N	H15	163.3°	115.0°
C2	C3	S	O	40.4°	23.5°
C2	C3	S	N	74.7°	90.0°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	H1	179.8°	180.0°
C2	C3	C4	H12	178.5°	180.0°
O	S	N	C6	40.8°	178.5°
O	S	N	H15	80.9°	1.5°
S	N	C6	H15	121.7°	180.0°
S	N	C6	C7	121.7°	165.0°
S	N	C6	H16	117.9°	45.0°
S	N	C6	H17	1.3°	75.0°
C2	C1	C	H14	179.3°	180.0°
N	C6	C7	H16	120.4°	120.0°
N	C6	C7	H17	120.4°	120.0°
N	C6	C7	C8	62.5°	90.0°
N	C6	C7	C12	111.4°	90.2°
N	C6	H16	H17	118.7°	120.1°
C6	C7	C8	C12	174.0°	179.8°
C6	C7	C8	C9	171.5°	179.8°
C6	C7	C12	C11	170.9°	179.8°
C6	C7	C8	H3	8.5°	0.3°
C6	C7	C12	H6	9.1°	0.2°
C7	C6	N	H15	0.0°	15.0°
C7	C6	H16	H17	118.7°	119.9°
C7	C8	C9	H3	180.0°	179.9°
C8	C7	C12	C11	3.1°	0.0°
C7	C8	C9	C10	0.0°	0.0°
C7	C8	C9	H4	180.0°	180.0°
C8	C7	C12	H6	176.9°	180.0°
C8	C7	C6	H16	58.0°	150.0°
C8	C7	C6	H17	177.1°	30.0°
C12	C7	C8	C9	2.5°	0.0°
C7	C12	C11	H6	180.0°	180.0°
C7	C12	C11	C10	1.1°	0.0°
C12	C7	C8	H3	177.5°	180.0°
C7	C12	C11	H5	178.9°	180.0°
C12	C7	C6	H16	128.2°	29.8°
C12	C7	C6	H17	9.0°	149.7°
C8	C9	C10	H4	180.0°	180.0°
C8	C9	C10	C11	2.0°	0.0°
C8	C9	C10	C13	176.0°	180.0°
C12	C11	C10	C9	1.4°	0.0°
C12	C11	C10	H5	180.0°	180.0°
C12	C11	C10	C13	176.6°	180.0°
C9	C10	C11	C13	178.0°	180.0°
C9	C10	C13	C14	43.3°	0.3°
C9	C10	C13	C18	133.6°	180.0°
C10	C9	C8	H3	180.0°	180.0°
C9	C10	C11	H5	178.6°	180.0°
C11	C10	C13	C14	134.6°	179.8°
C11	C10	C13	C18	48.5°	0.0°
C11	C10	C9	H4	178.0°	180.0°
C10	C11	C12	H6	178.9°	180.0°
C10	C13	C14	C18	177.0°	179.7°
C10	C13	C14	C15	177.2°	180.0°
C10	C13	C18	C17	176.3°	179.7°
C13	C10	C9	H4	4.0°	0.0°
C13	C10	C11	H5	3.4°	0.0°
C10	C13	C14	H7	2.7°	0.0°
C10	C13	C18	H18	3.7°	0.0°
C13	C14	C15	H7	180.0°	180.0°
C13	C14	C15	C16	0.7°	0.0°
C14	C13	C18	C17	0.7°	0.5°
C13	C14	C15	H8	179.3°	180.0°
C14	C13	C18	H18	179.3°	179.7°
C15	C14	C13	C18	0.3°	0.3°
C14	C15	C16	H8	180.0°	180.0°
C14	C15	C16	C17	0.1°	0.0°
C14	C15	C16	H9	179.9°	180.0°
C13	C18	C17	H18	180.0°	179.7°
C13	C18	C17	C16	1.2°	0.6°
C13	C18	C17	C19	178.9°	179.7°
C18	C13	C14	H7	179.7°	179.7°
C15	C16	C17	C18	0.8°	0.3°
C15	C16	C17	H9	180.0°	179.9°
C15	C16	C17	C19	179.3°	179.9°
C16	C15	C14	H7	179.3°	180.0°
C18	C17	C16	C19	179.9°	179.8°
C18	C17	C19	O2	78.8°	89.8°
C18	C17	C16	H9	179.2°	179.7°
C18	C17	C19	H10	160.9°	30.3°
C18	C17	C19	H11	41.5°	150.3°
C16	C17	C19	O2	101.1°	90.0°
C17	C16	C15	H8	179.9°	180.0°
C16	C17	C19	H10	19.2°	150.0°
C16	C17	C19	H11	138.6°	29.9°
C16	C17	C18	H18	178.8°	179.7°
C17	C19	O2	H10	120.3°	120.0°
C17	C19	O2	H11	120.3°	119.9°
C19	C17	C16	H9	0.7°	0.0°
C17	C19	H10	H11	119.1°	120.0°
C19	C17	C18	H18	1.1°	0.0°
C17	C19	O2	H19	180.0°	180.0°
O2	C19	H10	H11	119.1°	120.0°
H1	C1	C2	H2	0.2°	0.0°
H1	C1	C	H14	0.7°	0.3°
H3	C8	C9	H4	0.0°	0.0°
H5	C11	C12	H6	1.1°	0.1°
H7	C14	C15	H8	0.7°	0.0°
H8	C15	C16	H9	0.2°	0.0°
H10	C19	O2	H19	59.7°	60.0°
H11	C19	O2	H19	59.7°	60.0°
H12	C4	C5	H13	0.5°	0.0°
H13	C5	C	H14	0.6°	0.4°
H15	N	C6	H16	120.4°	135.0°
H15	N	C6	H17	120.4°	105.0°

Release date:	2016-05-18
Definition date:	2015-06-05
Last modified:	2016-05-13
Release status:	REL
Processing site:	RCSB
Derived from:	5BNM