5G9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C7	sing	1.38Å	1.34Å
S	C7	sing	1.71Å	1.74Å	Aromatic
S	C6	sing	1.76Å	1.74Å	Aromatic
C7	N2	doub	1.30Å	1.31Å	Aromatic
C6	C5	sing	1.47Å	1.46Å
C6	C8	doub	1.37Å	1.38Å	Aromatic
C2	C1	doub	1.41Å	1.41Å	Aromatic
C2	C3	sing	1.37Å	1.36Å	Aromatic
C1	N1	sing	1.33Å	1.38Å	Aromatic
C1	C	sing	1.42Å	1.40Å	Aromatic
N1	C5	doub	1.32Å	1.33Å	Aromatic
C3	C4	doub	1.39Å	1.39Å	Aromatic
C5	C16	sing	1.41Å	1.39Å	Aromatic
C	N	doub	1.33Å	1.38Å	Aromatic
C	C15	sing	1.41Å	1.41Å	Aromatic
N2	C8	sing	1.32Å	1.38Å	Aromatic
C4	N	sing	1.31Å	1.33Å	Aromatic
C16	C15	doub	1.36Å	1.36Å	Aromatic
C8	C9	sing	1.48Å	1.47Å
C10	C9	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.37Å	Aromatic
C9	C14	sing	1.40Å	1.39Å	Aromatic
CL	C11	sing	1.74Å	1.74Å
C11	C12	doub	1.38Å	1.38Å	Aromatic
C14	C13	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
N3	H1	sing	0.97Å	1.00Å
N3	H2	sing	0.97Å	1.00Å
C4	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.08Å	1.08Å
C2	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C7	S	121.0°	124.6°
N3	C7	N2	123.8°	124.6°
C7	N3	H1	109.5°	120.0°
C7	N3	H2	109.5°	120.0°
C7	S	C6	88.8°	90.6°
S	C7	N2	115.0°	110.8°
S	C6	C5	119.7°	126.2°
S	C6	C8	109.8°	107.8°
C7	N2	C8	111.2°	117.1°
C5	C6	C8	130.3°	126.1°
C6	C5	N1	112.8°	119.4°
C6	C5	C16	122.8°	119.3°
C6	C8	N2	115.2°	113.6°
C6	C8	C9	127.6°	123.2°
C1	C2	C3	119.1°	118.2°
C2	C1	N1	119.7°	121.0°
C2	C1	C	119.0°	118.7°
C1	C2	H10	120.5°	120.9°
C2	C3	C4	118.7°	120.0°
C3	C2	H10	120.5°	120.9°
C2	C3	H11	120.7°	119.9°
N1	C1	C	121.2°	120.3°
C1	N1	C5	117.5°	121.2°
C1	C	N	121.2°	120.1°
C1	C	C15	118.9°	118.9°
N1	C5	C16	124.3°	121.3°
C3	C4	N	124.5°	121.7°
C3	C4	H3	117.8°	119.2°
C4	C3	H11	120.6°	120.1°
C5	C16	C15	118.7°	119.9°
C5	C16	H9	120.7°	120.0°
N	C	C15	119.8°	121.0°
C	N	C4	117.4°	121.3°
C	C15	C16	119.5°	118.5°
C	C15	H6	120.2°	120.8°
N2	C8	C9	117.0°	123.2°
N	C4	H3	117.7°	119.1°
C16	C15	H6	120.3°	120.7°
C15	C16	H9	120.7°	120.1°
C8	C9	C10	117.6°	120.1°
C8	C9	C14	123.2°	120.1°
C9	C10	C11	119.8°	119.8°
C10	C9	C14	119.2°	119.8°
C9	C10	H4	120.1°	120.1°
C10	C11	CL	118.6°	119.9°
C10	C11	C12	121.8°	120.1°
C11	C10	H4	120.1°	120.1°
C9	C14	C13	120.2°	119.9°
C9	C14	H8	119.9°	120.0°
CL	C11	C12	119.4°	120.0°
C11	C12	C13	118.5°	120.3°
C11	C12	H7	120.8°	119.9°
C14	C13	C12	120.5°	120.1°
C14	C13	H5	119.8°	119.9°
C13	C14	H8	119.9°	120.1°
C12	C13	H5	119.8°	119.9°
C13	C12	H7	120.7°	119.8°
H1	N3	H2	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C7	S	N2	175.1°	179.7°
N3	C7	S	C6	173.4°	179.9°
N3	C7	N2	C8	173.1°	180.0°
C7	N3	H1	H2	120.0°	180.0°
C7	S	C6	C5	174.3°	179.9°
C7	S	C6	C8	1.1°	0.4°
S	C7	N2	C8	1.8°	0.3°
S	C7	N3	H1	0.0°	179.7°
S	C7	N3	H2	120.0°	0.3°
C6	S	C7	N2	1.7°	0.4°
S	C6	C5	C8	174.4°	179.6°
S	C6	C5	N1	41.1°	173.3°
S	C6	C5	C16	134.8°	6.7°
S	C6	C8	N2	0.4°	0.3°
S	C6	C8	C9	175.4°	179.7°
C7	N2	C8	C6	0.9°	0.0°
C7	N2	C8	C9	174.6°	180.0°
N2	C7	N3	H1	174.7°	0.1°
N2	C7	N3	H2	54.7°	180.0°
C6	C5	N1	C1	174.8°	180.0°
C6	C5	N1	C16	175.8°	180.0°
C5	C6	C8	N2	174.4°	180.0°
C6	C5	C16	C15	174.5°	180.0°
C5	C6	C8	C9	0.6°	0.0°
C6	C5	C16	H9	5.5°	0.0°
C8	C6	C5	N1	144.6°	7.0°
C8	C6	C5	C16	39.6°	173.0°
C6	C8	N2	C9	175.6°	180.0°
C6	C8	C9	C10	144.0°	132.6°
C6	C8	C9	C14	38.3°	47.4°
C1	C2	C3	H10	180.0°	179.9°
C2	C1	N1	C	177.5°	180.0°
C2	C1	N1	C5	178.0°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C2	C1	C	N	0.6°	0.1°
C2	C1	C	C15	177.6°	179.9°
C1	C2	C3	H11	180.0°	180.0°
C3	C2	C1	N1	177.0°	179.9°
C3	C2	C1	C	0.6°	0.0°
C2	C3	C4	H11	180.0°	180.0°
C2	C3	C4	N	0.6°	0.0°
C2	C3	C4	H3	179.4°	180.0°
C1	N1	C5	C16	0.9°	0.0°
N1	C1	C	N	176.9°	179.9°
N1	C1	C	C15	0.1°	0.0°
N1	C1	C2	H10	3.0°	0.0°
C	C1	N1	C5	0.5°	0.0°
C1	C	N	C15	177.0°	179.9°
C1	C	N	C4	0.1°	0.1°
C1	C	C15	C16	0.0°	0.0°
C1	C	C15	H6	180.0°	180.0°
C	C1	C2	H10	179.5°	179.9°
N1	C5	C16	C15	0.9°	0.0°
N1	C5	C16	H9	179.1°	180.0°
C3	C4	N	C	0.5°	0.1°
C3	C4	N	H3	180.0°	180.0°
C4	C3	C2	H10	180.0°	179.9°
C5	C16	C15	C	0.4°	0.0°
C5	C16	C15	H9	180.0°	180.0°
C5	C16	C15	H6	179.6°	180.0°
N	C	C15	C16	177.0°	179.9°
C	N	C4	H3	179.5°	180.0°
N	C	C15	H6	3.0°	0.1°
C15	C	N	C4	177.1°	179.9°
C	C15	C16	H6	180.0°	180.0°
C	C15	C16	H9	179.6°	180.0°
N2	C8	C9	C10	30.9°	47.3°
N2	C8	C9	C14	146.8°	132.6°
N	C4	C3	H11	179.4°	180.0°
C8	C9	C10	C14	177.8°	180.0°
C8	C9	C10	C11	177.0°	180.0°
C8	C9	C14	C13	178.3°	180.0°
C8	C9	C10	H4	3.0°	0.3°
C8	C9	C14	H8	1.7°	0.0°
C9	C10	C11	H4	180.0°	179.7°
C9	C10	C11	CL	173.5°	180.0°
C9	C10	C11	C12	2.2°	0.0°
C10	C9	C14	C13	0.6°	0.0°
C10	C9	C14	H8	179.4°	180.0°
C11	C10	C9	C14	0.9°	0.0°
C10	C11	CL	C12	175.8°	180.0°
C10	C11	C12	C13	2.0°	0.0°
C10	C11	C12	H7	178.0°	180.0°
C9	C14	C13	H8	180.0°	179.9°
C9	C14	C13	C12	0.8°	0.1°
C14	C9	C10	H4	179.1°	179.7°
C9	C14	C13	H5	179.2°	180.0°
CL	C11	C12	C13	173.7°	179.9°
CL	C11	C10	H4	6.5°	0.2°
CL	C11	C12	H7	6.4°	0.0°
C11	C12	C13	C14	0.5°	0.1°
C11	C12	C13	H7	180.0°	179.9°
C12	C11	C10	H4	177.8°	179.7°
C11	C12	C13	H5	179.5°	180.0°
C14	C13	C12	H5	180.0°	180.0°
C14	C13	C12	H7	179.5°	180.0°
C12	C13	C14	H8	179.2°	180.0°
H3	C4	C3	H11	0.6°	0.0°
H5	C13	C12	H7	0.5°	0.0°
H5	C13	C14	H8	0.8°	0.0°
H6	C15	C16	H9	0.4°	0.0°
H10	C2	C3	H11	0.0°	0.1°

Release date:	2015-09-30
Definition date:	2015-09-22
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	5DVR