4JG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	sing	1.51Å	1.51Å
N7	C8	sing	1.31Å	1.37Å	Aromatic
N7	C6	doub	1.30Å	1.35Å	Aromatic
N10	C6	sing	1.38Å	1.35Å
N10	C11	sing	1.40Å	1.35Å
C12	C11	doub	1.40Å	1.40Å	Aromatic
C12	C13	sing	1.36Å	1.39Å	Aromatic
C8	C4	doub	1.37Å	1.51Å	Aromatic
C6	S5	sing	1.71Å	1.73Å	Aromatic
C11	C16	sing	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.41Å	1.39Å	Aromatic
C4	S5	sing	1.76Å	1.73Å	Aromatic
C4	C1	sing	1.41Å	1.49Å
C16	C15	doub	1.40Å	1.38Å	Aromatic
C14	C15	sing	1.42Å	1.48Å	Aromatic
C14	C17	sing	1.41Å	1.38Å	Aromatic
C15	C20	sing	1.41Å	1.38Å	Aromatic
C2	C1	sing	1.51Å	1.50Å
C17	C18	doub	1.36Å	1.39Å	Aromatic
C1	O3	doub	1.22Å	1.22Å
C20	C19	doub	1.36Å	1.39Å	Aromatic
C18	C19	sing	1.39Å	1.40Å	Aromatic
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C9	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
N10	H7	sing	0.97Å	1.00Å
C16	H8	sing	1.08Å	1.08Å
C20	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C17	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	N7	121.4°	123.1°
C9	C8	C4	128.2°	123.0°
C8	C9	H4	109.5°	109.5°
C8	C9	H5	109.5°	109.5°
C8	C9	H6	109.5°	109.4°
C8	N7	C6	114.2°	117.4°
N7	C8	C4	110.4°	113.9°
N7	C6	N10	119.3°	124.7°
N7	C6	S5	114.7°	110.6°
C6	N10	C11	124.0°	120.0°
N10	C6	S5	126.0°	124.7°
C6	N10	H7	118.0°	120.1°
N10	C11	C12	118.2°	119.6°
N10	C11	C16	120.6°	119.7°
C11	N10	H7	118.0°	120.0°
C11	C12	C13	121.4°	120.9°
C12	C11	C16	121.2°	120.7°
C11	C12	H14	119.3°	119.6°
C12	C13	C14	119.2°	119.9°
C12	C13	H13	120.4°	120.1°
C13	C12	H14	119.3°	119.5°
C8	C4	S5	110.4°	107.7°
C8	C4	C1	133.8°	126.2°
C6	S5	C4	90.3°	90.4°
C11	C16	C15	119.6°	119.6°
C11	C16	H8	120.2°	120.2°
C13	C14	C15	119.5°	119.5°
C13	C14	C17	121.2°	121.2°
C14	C13	H13	120.4°	120.0°
S5	C4	C1	115.7°	126.1°
C4	C1	C2	121.2°	120.0°
C4	C1	O3	117.1°	120.0°
C16	C15	C14	119.1°	119.4°
C16	C15	C20	120.8°	121.2°
C15	C16	H8	120.2°	120.2°
C15	C14	C17	119.3°	119.2°
C14	C15	C20	120.1°	119.4°
C14	C17	C18	118.9°	119.8°
C14	C17	H12	120.5°	120.1°
C15	C20	C19	118.5°	119.7°
C15	C20	H9	120.8°	120.1°
C2	C1	O3	121.7°	120.0°
C1	C2	H1	109.5°	109.5°
C1	C2	H2	109.5°	109.5°
C1	C2	H3	109.5°	109.5°
C17	C18	C19	121.6°	121.0°
C17	C18	H11	119.2°	119.6°
C18	C17	H12	120.5°	120.1°
C20	C19	C18	121.7°	121.0°
C19	C20	H9	120.8°	120.2°
C20	C19	H10	119.1°	119.5°
C18	C19	H10	119.1°	119.5°
C19	C18	H11	119.2°	119.5°
H1	C2	H2	109.4°	109.5°
H1	C2	H3	109.5°	109.5°
H2	C2	H3	109.5°	109.4°
H4	C9	H5	109.4°	109.5°
H4	C9	H6	109.5°	109.5°
H5	C9	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	N7	C4	179.7°	179.9°
C9	C8	N7	C6	179.9°	180.0°
C9	C8	C4	S5	179.8°	180.0°
C9	C8	C4	C1	0.4°	0.2°
C8	C9	H4	H5	120.0°	120.0°
C8	C9	H4	H6	120.0°	120.0°
C8	C9	H5	H6	120.0°	119.9°
C8	N7	C6	N10	179.8°	180.0°
C8	N7	C6	S5	0.1°	0.1°
N7	C8	C4	S5	0.6°	0.0°
N7	C8	C4	C1	179.3°	179.8°
N7	C8	C9	H4	0.0°	90.0°
N7	C8	C9	H5	120.0°	30.1°
N7	C8	C9	H6	120.0°	150.0°
N7	C6	N10	S5	179.7°	180.0°
N7	C6	N10	C11	171.0°	5.9°
C6	N7	C8	C4	0.4°	0.1°
N7	C6	S5	C4	0.2°	0.0°
N7	C6	N10	H7	9.1°	174.1°
C6	N10	C11	H7	180.0°	180.0°
C6	N10	C11	C12	126.3°	148.6°
C6	N10	C11	C16	55.9°	31.1°
N10	C6	S5	C4	179.5°	180.0°
N10	C11	C12	C16	177.8°	179.7°
N10	C11	C12	C13	179.8°	179.7°
C11	N10	C6	S5	9.4°	174.1°
N10	C11	C16	C15	179.6°	180.0°
N10	C11	C16	H8	0.4°	0.1°
N10	C11	C12	H14	0.2°	0.0°
C11	C12	C13	H14	180.0°	179.7°
C11	C12	C13	C14	1.1°	0.5°
C12	C11	C16	C15	1.9°	0.3°
C12	C11	N10	H7	53.7°	31.4°
C12	C11	C16	H8	178.1°	179.8°
C11	C12	C13	H13	178.8°	179.7°
C13	C12	C11	C16	2.0°	0.5°
C12	C13	C14	H13	180.0°	179.7°
C12	C13	C14	C15	0.2°	0.3°
C12	C13	C14	C17	180.0°	179.7°
C8	C4	S5	C6	0.4°	0.0°
C8	C4	S5	C1	179.9°	179.8°
C8	C4	C1	C2	0.6°	180.0°
C8	C4	C1	O3	178.5°	0.2°
C4	C8	C9	H4	179.6°	89.9°
C4	C8	C9	H5	60.4°	150.0°
C4	C8	C9	H6	59.6°	30.1°
C6	S5	C4	C1	179.4°	179.8°
S5	C6	N10	H7	170.6°	5.9°
C11	C16	C15	H8	180.0°	179.9°
C11	C16	C15	C14	0.9°	0.0°
C11	C16	C15	C20	178.6°	180.0°
C16	C11	N10	H7	124.1°	148.9°
C16	C11	C12	H14	178.0°	179.8°
C13	C14	C15	C16	0.1°	0.0°
C13	C14	C15	C17	179.8°	180.0°
C13	C14	C15	C20	179.4°	180.0°
C13	C14	C17	C18	179.5°	179.9°
C13	C14	C17	H12	0.5°	0.1°
C14	C13	C12	H14	178.8°	179.8°
S5	C4	C1	C2	179.5°	0.3°
S5	C4	C1	O3	1.4°	179.9°
C4	C1	C2	O3	179.1°	179.8°
C4	C1	C2	H1	179.0°	179.8°
C4	C1	C2	H2	59.1°	59.7°
C4	C1	C2	H3	60.9°	60.2°
C16	C15	C14	C20	179.6°	179.9°
C16	C15	C14	C17	179.9°	180.0°
C16	C15	C20	C19	179.5°	180.0°
C16	C15	C20	H9	0.4°	0.1°
C15	C14	C17	C18	0.2°	0.0°
C14	C15	C20	C19	0.0°	0.0°
C14	C15	C16	H8	179.1°	180.0°
C14	C15	C20	H9	180.0°	180.0°
C15	C14	C17	H12	179.7°	180.0°
C15	C14	C13	H13	179.8°	180.0°
C17	C14	C15	C20	0.3°	0.0°
C14	C17	C18	H12	180.0°	180.0°
C14	C17	C18	C19	0.2°	0.1°
C14	C17	C18	H11	179.8°	180.0°
C17	C14	C13	H13	0.0°	0.0°
C15	C20	C19	H9	180.0°	179.9°
C15	C20	C19	C18	0.4°	0.1°
C20	C15	C16	H8	1.4°	0.1°
C15	C20	C19	H10	179.6°	180.0°
C1	C2	H1	H2	120.0°	120.0°
C1	C2	H1	H3	120.0°	120.0°
C1	C2	H2	H3	120.0°	120.0°
C17	C18	C19	C20	0.5°	0.1°
C17	C18	C19	H11	180.0°	180.0°
C17	C18	C19	H10	179.5°	180.0°
O3	C1	C2	H1	0.0°	0.0°
O3	C1	C2	H2	120.0°	120.1°
O3	C1	C2	H3	120.0°	120.0°
C20	C19	C18	H10	180.0°	180.0°
C20	C19	C18	H11	179.5°	179.9°
C18	C19	C20	H9	179.6°	180.0°
C19	C18	C17	H12	179.8°	179.9°
H1	C2	H2	H3	120.0°	120.0°
H4	C9	H5	H6	120.0°	120.0°
H9	C20	C19	H10	0.4°	0.1°
H10	C19	C18	H11	0.5°	0.0°
H11	C18	C17	H12	0.2°	0.0°
H13	C13	C12	H14	1.2°	0.0°

Release date:	2014-03-05
Definition date:	2013-03-11
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	4JGD