5GB

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	1.75Å	Aromatic
C7	N2	doub	1.30Å	1.31Å	Aromatic
C6	C5	sing	1.47Å	1.47Å
C6	C8	doub	1.37Å	1.37Å	Aromatic
N2	C8	sing	1.32Å	1.38Å	Aromatic
C5	N1	doub	1.32Å	1.33Å	Aromatic
C5	C17	sing	1.41Å	1.40Å	Aromatic
N1	C1	sing	1.34Å	1.37Å	Aromatic
C2	C1	doub	1.41Å	1.41Å	Aromatic
C2	C3	sing	1.37Å	1.36Å	Aromatic
C1	C	sing	1.42Å	1.41Å	Aromatic
C17	C16	doub	1.36Å	1.36Å	Aromatic
C3	C4	doub	1.39Å	1.39Å	Aromatic
C	C16	sing	1.41Å	1.41Å	Aromatic
C	N	doub	1.33Å	1.37Å	Aromatic
C4	N	sing	1.31Å	1.33Å	Aromatic
C8	C9	sing	1.48Å	1.48Å
C10	C9	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C9	C15	sing	1.39Å	1.39Å	Aromatic
C14	C11	sing	1.51Å	1.51Å
C11	C12	doub	1.38Å	1.39Å	Aromatic
C15	C13	doub	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	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
C17	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.08Å	1.08Å
C2	H13	sing	1.08Å	1.08Å
C3	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C7	S	120.9°	124.6°
N3	C7	N2	123.9°	124.6°
C7	N3	H1	109.5°	120.0°
C7	N3	H2	109.5°	120.0°
C7	S	C6	88.6°	90.6°
S	C7	N2	115.2°	110.8°
S	C6	C5	118.0°	126.1°
S	C6	C8	109.9°	107.8°
C7	N2	C8	111.0°	117.2°
C5	C6	C8	132.1°	126.0°
C6	C5	N1	112.1°	119.4°
C6	C5	C17	123.5°	119.3°
C6	C8	N2	115.3°	113.5°
C6	C8	C9	127.1°	123.3°
N2	C8	C9	117.6°	123.2°
N1	C5	C17	124.3°	121.3°
C5	N1	C1	117.8°	121.2°
C5	C17	C16	118.4°	119.9°
C5	C17	H7	120.8°	120.0°
N1	C1	C2	120.1°	121.0°
N1	C1	C	121.4°	120.3°
C1	C2	C3	119.3°	118.2°
C2	C1	C	118.6°	118.7°
C1	C2	H13	120.3°	120.9°
C2	C3	C4	118.6°	120.0°
C3	C2	H13	120.4°	120.9°
C2	C3	H14	120.7°	120.0°
C1	C	C16	118.4°	118.9°
C1	C	N	121.4°	120.1°
C17	C16	C	119.7°	118.5°
C16	C17	H7	120.8°	120.1°
C17	C16	H12	120.1°	120.7°
C3	C4	N	124.5°	121.6°
C3	C4	H3	117.7°	119.1°
C4	C3	H14	120.7°	120.0°
C16	C	N	120.1°	121.0°
C	C16	H12	120.2°	120.8°
C	N	C4	117.5°	121.4°
N	C4	H3	117.8°	119.2°
C8	C9	C10	119.7°	120.1°
C8	C9	C15	121.1°	120.1°
C9	C10	C11	121.5°	119.9°
C10	C9	C15	119.1°	119.7°
C9	C10	H4	119.3°	120.1°
C10	C11	C14	120.9°	119.9°
C10	C11	C12	118.2°	120.1°
C11	C10	H4	119.3°	120.1°
C9	C15	C13	120.1°	119.9°
C9	C15	H6	119.9°	120.1°
C14	C11	C12	120.9°	119.9°
C11	C14	H9	109.5°	109.5°
C11	C14	H10	109.4°	109.5°
C11	C14	H11	109.4°	109.5°
C11	C12	C13	121.1°	120.3°
C11	C12	H8	119.4°	119.9°
C15	C13	C12	120.0°	120.1°
C15	C13	H5	120.0°	119.9°
C13	C15	H6	120.0°	120.0°
C12	C13	H5	120.0°	120.0°
C13	C12	H8	119.4°	119.8°
H1	N3	H2	109.5°	120.1°
H9	C14	H10	109.5°	109.4°
H9	C14	H11	109.5°	109.4°
H10	C14	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C7	S	N2	179.4°	180.0°
N3	C7	S	C6	179.4°	179.9°
N3	C7	N2	C8	178.9°	180.0°
C7	N3	H1	H2	120.0°	180.0°
C7	S	C6	C5	178.4°	179.9°
C7	S	C6	C8	0.6°	0.2°
S	C7	N2	C8	0.4°	0.1°
S	C7	N3	H1	0.0°	179.9°
S	C7	N3	H2	120.0°	0.1°
C6	S	C7	N2	0.1°	0.2°
S	C6	C5	C8	178.7°	179.7°
S	C6	C8	N2	1.0°	0.2°
S	C6	C5	N1	38.1°	173.4°
S	C6	C5	C17	139.6°	6.7°
S	C6	C8	C9	177.5°	179.7°
C7	N2	C8	C6	0.9°	0.1°
C7	N2	C8	C9	177.7°	179.9°
N2	C7	N3	H1	179.3°	0.1°
N2	C7	N3	H2	60.7°	179.9°
C5	C6	C8	N2	177.8°	179.9°
C6	C5	N1	C17	177.7°	180.0°
C6	C5	N1	C1	176.8°	180.0°
C6	C5	C17	C16	176.6°	180.0°
C5	C6	C8	C9	3.7°	0.0°
C6	C5	C17	H7	3.4°	0.1°
C6	C8	N2	C9	178.6°	180.0°
C8	C6	C5	N1	143.3°	7.0°
C8	C6	C5	C17	39.1°	173.0°
C6	C8	C9	C10	146.1°	132.6°
C6	C8	C9	C15	36.6°	47.3°
N2	C8	C9	C10	35.5°	47.4°
N2	C8	C9	C15	141.8°	132.6°
C5	N1	C1	C2	179.2°	180.0°
C5	N1	C1	C	0.3°	0.0°
N1	C5	C17	C16	0.8°	0.0°
N1	C5	C17	H7	179.2°	179.9°
C17	C5	N1	C1	0.9°	0.0°
C5	C17	C16	H7	180.0°	179.9°
C5	C17	C16	C	0.2°	0.0°
C5	C17	C16	H12	179.8°	179.9°
N1	C1	C2	C	179.5°	180.0°
N1	C1	C2	C3	179.2°	180.0°
N1	C1	C	C16	0.3°	0.0°
N1	C1	C	N	179.6°	180.0°
N1	C1	C2	H13	0.8°	0.0°
C1	C2	C3	H13	180.0°	180.0°
C1	C2	C3	C4	0.5°	0.0°
C2	C1	C	C16	179.7°	180.0°
C2	C1	C	N	0.1°	0.0°
C1	C2	C3	H14	179.5°	180.0°
C3	C2	C1	C	0.3°	0.0°
C2	C3	C4	H14	180.0°	180.0°
C2	C3	C4	N	0.4°	0.0°
C2	C3	C4	H3	179.6°	179.9°
C1	C	C16	C17	0.3°	0.0°
C1	C	C16	N	179.9°	180.0°
C1	C	N	C4	0.3°	0.1°
C1	C	C16	H12	179.7°	179.9°
C	C1	C2	H13	179.8°	180.0°
C17	C16	C	H12	180.0°	180.0°
C17	C16	C	N	179.5°	180.0°
C3	C4	N	C	0.0°	0.1°
C3	C4	N	H3	180.0°	179.9°
C4	C3	C2	H13	179.5°	180.0°
C16	C	N	C4	179.6°	180.0°
C	C16	C17	H7	179.9°	179.9°
C	N	C4	H3	180.0°	180.0°
N	C	C16	H12	0.5°	0.0°
N	C4	C3	H14	179.6°	180.0°
C8	C9	C10	C15	177.3°	180.0°
C8	C9	C10	C11	176.2°	180.0°
C8	C9	C15	C13	177.0°	180.0°
C8	C9	C10	H4	3.8°	0.4°
C8	C9	C15	H6	3.0°	0.1°
C9	C10	C11	H4	180.0°	179.7°
C9	C10	C11	C14	176.3°	180.0°
C9	C10	C11	C12	1.3°	0.0°
C10	C9	C15	C13	0.3°	0.0°
C10	C9	C15	H6	179.7°	180.0°
C11	C10	C9	C15	1.2°	0.0°
C10	C11	C14	C12	177.5°	180.0°
C10	C11	C12	C13	0.6°	0.1°
C10	C11	C12	H8	179.4°	179.9°
C10	C11	C14	H9	91.3°	90.0°
C10	C11	C14	H10	148.7°	150.0°
C10	C11	C14	H11	28.8°	30.0°
C9	C15	C13	H6	180.0°	180.0°
C9	C15	C13	C12	0.3°	0.0°
C15	C9	C10	H4	178.8°	179.7°
C9	C15	C13	H5	179.7°	180.0°
C14	C11	C12	C13	176.9°	179.9°
C14	C11	C10	H4	3.7°	0.4°
C14	C11	C12	H8	3.1°	0.0°
C11	C14	H9	H10	120.0°	120.0°
C11	C14	H9	H11	120.0°	120.0°
C11	C14	H10	H11	120.0°	120.0°
C11	C12	C13	C15	0.2°	0.1°
C11	C12	C13	H8	180.0°	179.9°
C12	C11	C10	H4	178.7°	179.7°
C11	C12	C13	H5	179.8°	179.9°
C12	C11	C14	H9	91.2°	90.0°
C12	C11	C14	H10	28.8°	30.0°
C12	C11	C14	H11	148.7°	150.0°
C15	C13	C12	H5	180.0°	180.0°
C15	C13	C12	H8	179.8°	180.0°
C12	C13	C15	H6	179.7°	179.9°
H3	C4	C3	H14	0.4°	0.0°
H5	C13	C15	H6	0.3°	0.1°
H5	C13	C12	H8	0.2°	0.0°
H7	C17	C16	H12	0.1°	0.0°
H9	C14	H10	H11	120.0°	119.9°
H13	C2	C3	H14	0.5°	0.0°

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