5GA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C9	sing	1.38Å	1.34Å
S	C9	sing	1.71Å	1.74Å	Aromatic
S	C8	sing	1.76Å	1.75Å	Aromatic
C9	N2	doub	1.30Å	1.31Å	Aromatic
C8	C5	sing	1.47Å	1.47Å
C8	C10	doub	1.37Å	1.37Å	Aromatic
N2	C10	sing	1.32Å	1.38Å	Aromatic
C5	N1	doub	1.32Å	1.33Å	Aromatic
C5	C6	sing	1.41Å	1.40Å	Aromatic
N1	C1	sing	1.34Å	1.37Å	Aromatic
C6	C7	doub	1.36Å	1.36Å	Aromatic
C1	C2	doub	1.41Å	1.41Å	Aromatic
C1	C	sing	1.42Å	1.41Å	Aromatic
C7	C	sing	1.41Å	1.41Å	Aromatic
C2	C3	sing	1.37Å	1.36Å	Aromatic
C	N	doub	1.33Å	1.37Å	Aromatic
C3	C4	doub	1.39Å	1.39Å	Aromatic
N	C4	sing	1.31Å	1.33Å	Aromatic
C10	C11	sing	1.48Å	1.48Å
C12	C11	doub	1.39Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C11	C16	sing	1.40Å	1.40Å	Aromatic
CL	C13	sing	1.74Å	1.73Å
C13	C14	doub	1.39Å	1.38Å	Aromatic
C16	C15	doub	1.38Å	1.39Å	Aromatic
C14	C15	sing	1.39Å	1.38Å	Aromatic
C14	F	sing	1.35Å	1.36Å
N3	H1	sing	0.97Å	1.00Å
N3	H2	sing	0.97Å	1.00Å
C4	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C2	H9	sing	1.08Å	1.08Å
C3	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C9	S	120.8°	124.6°
N3	C9	N2	124.0°	124.6°
C9	N3	H1	109.5°	120.0°
C9	N3	H2	109.5°	120.0°
C9	S	C8	88.6°	90.6°
S	C9	N2	115.2°	110.9°
S	C8	C5	118.2°	126.1°
S	C8	C10	110.0°	107.8°
C9	N2	C10	111.1°	117.1°
C5	C8	C10	131.7°	126.1°
C8	C5	N1	112.2°	119.3°
C8	C5	C6	123.3°	119.4°
C8	C10	N2	115.1°	113.6°
C8	C10	C11	127.4°	123.2°
N2	C10	C11	117.5°	123.2°
N1	C5	C6	124.4°	121.3°
C5	N1	C1	117.9°	121.1°
C5	C6	C7	118.4°	119.9°
C5	C6	H4	120.8°	120.0°
N1	C1	C2	120.2°	121.0°
N1	C1	C	120.8°	120.3°
C6	C7	C	119.7°	118.4°
C7	C6	H4	120.8°	120.1°
C6	C7	H5	120.2°	120.8°
C2	C1	C	119.0°	118.7°
C1	C2	C3	119.2°	118.2°
C1	C2	H9	120.4°	120.8°
C1	C	C7	118.9°	119.0°
C1	C	N	121.0°	120.1°
C7	C	N	120.1°	120.9°
C	C7	H5	120.2°	120.8°
C2	C3	C4	118.6°	120.0°
C3	C2	H9	120.4°	120.9°
C2	C3	H10	120.7°	120.0°
C	N	C4	117.7°	121.3°
C3	C4	N	124.5°	121.6°
C3	C4	H3	117.8°	119.2°
C4	C3	H10	120.7°	120.0°
N	C4	H3	117.8°	119.1°
C10	C11	C12	119.0°	120.1°
C10	C11	C16	121.8°	120.1°
C11	C12	C13	120.0°	119.9°
C12	C11	C16	119.1°	119.8°
C11	C12	H7	120.0°	120.0°
C12	C13	CL	119.9°	119.9°
C12	C13	C14	119.9°	120.1°
C13	C12	H7	120.0°	120.1°
C11	C16	C15	120.7°	119.9°
C11	C16	H8	119.6°	120.1°
CL	C13	C14	120.2°	119.9°
C13	C14	C15	121.4°	120.2°
C13	C14	F	119.1°	119.9°
C16	C15	C14	118.9°	120.1°
C16	C15	H6	120.6°	119.9°
C15	C16	H8	119.6°	120.0°
C15	C14	F	119.6°	119.9°
C14	C15	H6	120.6°	119.9°
H1	N3	H2	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C9	S	N2	179.4°	179.7°
N3	C9	S	C8	178.8°	179.9°
N3	C9	N2	C10	179.2°	180.0°
C9	N3	H1	H2	120.0°	180.0°
C9	S	C8	C5	176.2°	179.9°
C9	S	C8	C10	0.8°	0.3°
S	C9	N2	C10	0.2°	0.3°
S	C9	N3	H1	0.0°	179.7°
S	C9	N3	H2	120.0°	0.2°
C8	S	C9	N2	0.6°	0.4°
S	C8	C5	C10	176.2°	179.7°
S	C8	C10	N2	0.8°	0.2°
S	C8	C5	N1	36.3°	173.3°
S	C8	C5	C6	141.0°	6.7°
S	C8	C10	C11	179.7°	179.7°
C9	N2	C10	C8	0.4°	0.0°
C9	N2	C10	C11	179.3°	180.0°
N2	C9	N3	H1	179.4°	0.0°
N2	C9	N3	H2	59.4°	180.0°
C5	C8	C10	N2	175.6°	180.0°
C8	C5	N1	C6	177.3°	180.0°
C8	C5	N1	C1	177.0°	180.0°
C8	C5	C6	C7	176.9°	180.0°
C5	C8	C10	C11	3.2°	0.1°
C8	C5	C6	H4	3.1°	0.0°
C8	C10	N2	C11	178.9°	179.9°
C10	C8	C5	N1	147.5°	7.0°
C10	C8	C5	C6	35.2°	173.0°
C8	C10	C11	C12	142.9°	132.6°
C8	C10	C11	C16	40.9°	47.3°
N2	C10	C11	C12	35.9°	47.4°
N2	C10	C11	C16	140.3°	132.6°
N1	C5	C6	C7	0.1°	0.0°
C5	N1	C1	C2	179.9°	180.0°
C5	N1	C1	C	0.4°	0.0°
N1	C5	C6	H4	179.9°	180.0°
C6	C5	N1	C1	0.3°	0.0°
C5	C6	C7	H4	180.0°	180.0°
C5	C6	C7	C	0.1°	0.0°
C5	C6	C7	H5	179.9°	180.0°
N1	C1	C2	C	179.5°	180.0°
N1	C1	C	C7	0.4°	0.0°
N1	C1	C2	C3	179.0°	180.0°
N1	C1	C	N	178.9°	179.9°
N1	C1	C2	H9	1.0°	0.1°
C6	C7	C	C1	0.2°	0.0°
C6	C7	C	H5	180.0°	180.0°
C6	C7	C	N	179.1°	179.9°
C2	C1	C	C7	179.9°	180.0°
C1	C2	C3	H9	180.0°	180.0°
C2	C1	C	N	0.6°	0.0°
C1	C2	C3	C4	0.2°	0.0°
C1	C2	C3	H10	179.8°	179.9°
C1	C	C7	N	179.3°	179.9°
C	C1	C2	C3	0.5°	0.0°
C1	C	N	C4	0.1°	0.0°
C1	C	C7	H5	179.8°	180.0°
C	C1	C2	H9	179.5°	180.0°
C7	C	N	C4	179.3°	180.0°
C	C7	C6	H4	179.9°	180.0°
C2	C3	C4	H10	180.0°	179.9°
C2	C3	C4	N	0.8°	0.0°
C2	C3	C4	H3	179.2°	180.0°
C	N	C4	C3	0.6°	0.0°
C	N	C4	H3	179.4°	180.0°
N	C	C7	H5	0.9°	0.0°
C3	C4	N	H3	180.0°	180.0°
C4	C3	C2	H9	179.8°	180.0°
N	C4	C3	H10	179.2°	179.9°
C10	C11	C12	C16	176.3°	180.0°
C10	C11	C12	C13	175.0°	180.0°
C10	C11	C16	C15	175.3°	179.7°
C10	C11	C12	H7	5.0°	0.0°
C10	C11	C16	H8	4.7°	0.3°
C11	C12	C13	H7	180.0°	180.0°
C11	C12	C13	CL	178.3°	179.7°
C11	C12	C13	C14	0.9°	0.0°
C12	C11	C16	C15	0.9°	0.3°
C12	C11	C16	H8	179.1°	179.8°
C13	C12	C11	C16	1.3°	0.0°
C12	C13	CL	C14	179.2°	179.7°
C12	C13	C14	C15	0.0°	0.3°
C12	C13	C14	F	179.2°	179.7°
C11	C16	C15	H8	180.0°	180.0°
C11	C16	C15	C14	0.1°	0.6°
C11	C16	C15	H6	179.9°	180.0°
C16	C11	C12	H7	178.7°	180.0°
CL	C13	C14	C15	179.1°	180.0°
CL	C13	C14	F	0.0°	0.0°
CL	C13	C12	H7	1.7°	0.3°
C13	C14	C15	C16	0.3°	0.6°
C13	C14	C15	F	179.1°	180.0°
C13	C14	C15	H6	179.6°	180.0°
C14	C13	C12	H7	179.2°	180.0°
C16	C15	C14	H6	180.0°	179.5°
C16	C15	C14	F	178.8°	179.5°
C14	C15	C16	H8	179.9°	179.5°
F	C14	C15	H6	1.2°	0.0°
H3	C4	C3	H10	0.8°	0.1°
H4	C6	C7	H5	0.1°	0.0°
H6	C15	C16	H8	0.1°	0.0°
H9	C2	C3	H10	0.2°	0.1°

Release date:	2015-09-30
Definition date:	2015-09-22
Last modified:	2015-09-25
Release status:	REL
Processing site:	RCSB
Derived from:	5DVU