FGU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C5	sing	1.47Å	1.48Å
C5	C4	sing	1.51Å	1.50Å
C5	C6	sing	1.53Å	1.52Å
O	C4	doub	1.21Å	1.22Å
C4	S	sing	1.71Å	1.67Å
S	C3	sing	1.81Å	1.76Å
C6	C7	sing	1.53Å	1.53Å
C9	C7	sing	1.53Å	1.52Å
C7	C8	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.53Å
C2	N	sing	1.47Å	1.45Å
N	C1	sing	1.35Å	1.33Å
C	C1	sing	1.51Å	1.50Å
C1	O1	doub	1.21Å	1.22Å
N	H1	sing	0.97Å	1.00Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C8	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å
N1	H19	sing	1.01Å	1.00Å
N1	H20	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C5	C4	110.1°	109.5°
N1	C5	C6	110.1°	109.5°
N1	C5	H9	109.7°	109.5°
C5	N1	H19	109.5°	111.0°
C5	N1	H20	109.5°	111.0°
C4	C5	C6	108.5°	109.4°
C5	C4	O	120.0°	120.0°
C5	C4	S	119.6°	120.0°
C4	C5	H9	109.4°	109.5°
C5	C6	C7	112.1°	109.5°
C6	C5	H9	109.1°	109.4°
C5	C6	H10	108.8°	109.4°
C5	C6	H11	108.8°	109.5°
O	C4	S	120.3°	120.0°
C4	S	C3	111.0°	100.0°
S	C3	C2	109.2°	109.4°
S	C3	H7	109.6°	109.5°
S	C3	H8	109.5°	109.5°
C6	C7	C9	110.7°	109.5°
C6	C7	C8	113.8°	109.5°
C7	C6	H10	108.8°	109.5°
C7	C6	H11	108.8°	109.5°
C6	C7	H12	107.4°	109.6°
C9	C7	C8	109.9°	109.4°
C9	C7	H12	107.5°	109.4°
C7	C9	H16	109.5°	109.5°
C7	C9	H17	109.5°	109.5°
C7	C9	H18	109.5°	109.5°
C8	C7	H12	107.4°	109.4°
C7	C8	H13	109.5°	109.5°
C7	C8	H14	109.4°	109.4°
C7	C8	H15	109.4°	109.5°
C3	C2	N	112.0°	109.4°
C3	C2	H5	108.8°	109.5°
C3	C2	H6	108.8°	109.5°
C2	C3	H7	109.5°	109.5°
C2	C3	H8	109.6°	109.4°
C2	N	C1	121.6°	120.0°
C2	N	H1	119.2°	120.0°
N	C2	H5	108.8°	109.5°
N	C2	H6	108.8°	109.4°
N	C1	C	116.1°	120.0°
N	C1	O1	121.8°	120.0°
C1	N	H1	119.2°	120.0°
C	C1	O1	122.1°	120.0°
C1	C	H2	109.5°	109.5°
C1	C	H3	109.5°	109.5°
C1	C	H4	109.5°	109.5°
H2	C	H3	109.4°	109.4°
H2	C	H4	109.5°	109.5°
H3	C	H4	109.5°	109.5°
H5	C2	H6	109.4°	109.5°
H7	C3	H8	109.5°	109.5°
H10	C6	H11	109.5°	109.5°
H13	C8	H14	109.5°	109.4°
H13	C8	H15	109.5°	109.5°
H14	C8	H15	109.5°	109.5°
H16	C9	H17	109.5°	109.4°
H16	C9	H18	109.4°	109.4°
H17	C9	H18	109.4°	109.5°
H19	N1	H20	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C5	C4	C6	120.5°	120.0°
N1	C5	C4	H9	120.6°	120.0°
N1	C5	C6	H9	120.4°	120.0°
N1	C5	C4	O	89.0°	19.9°
N1	C5	C4	S	91.8°	160.0°
N1	C5	C6	C7	138.4°	63.3°
N1	C5	C6	H10	18.0°	56.7°
N1	C5	C6	H11	101.2°	176.7°
C5	N1	H19	H20	120.0°	124.0°
C4	C5	C6	H9	119.1°	120.0°
C5	C4	O	S	179.2°	179.9°
C5	C4	S	C3	100.2°	180.0°
C4	C5	C6	C7	101.0°	176.8°
C4	C5	C6	H10	138.5°	63.3°
C4	C5	C6	H11	19.3°	56.7°
C4	C5	N1	H19	180.0°	64.0°
C4	C5	N1	H20	60.0°	60.0°
C6	C5	C4	O	150.5°	100.1°
C6	C5	C4	S	28.7°	80.0°
C5	C6	C7	H10	120.4°	119.9°
C5	C6	C7	H11	120.4°	120.0°
C5	C6	C7	C9	85.7°	65.9°
C5	C6	C7	C8	38.6°	174.2°
C5	C6	H10	H11	118.8°	120.0°
C5	C6	C7	H12	157.3°	54.2°
C6	C5	N1	H19	60.5°	176.0°
C6	C5	N1	H20	179.6°	60.0°
O	C4	S	C3	79.0°	0.1°
O	C4	C5	H9	31.6°	140.0°
C4	S	C3	C2	167.5°	179.9°
C4	S	C3	H7	72.5°	60.0°
C4	S	C3	H8	47.5°	60.0°
S	C4	C5	H9	147.6°	39.9°
S	C3	C2	H7	120.0°	120.0°
S	C3	C2	H8	120.0°	120.0°
S	C3	C2	N	176.2°	180.0°
S	C3	C2	H5	55.8°	60.0°
S	C3	C2	H6	63.4°	60.1°
S	C3	H7	H8	120.1°	120.0°
C6	C7	C9	C8	126.5°	120.0°
C6	C7	C9	H12	117.0°	120.1°
C6	C7	C8	H12	118.7°	120.1°
C7	C6	C5	H9	18.0°	56.8°
C7	C6	H10	H11	118.8°	120.0°
C6	C7	C8	H13	180.0°	62.6°
C6	C7	C8	H14	60.0°	57.4°
C6	C7	C8	H15	60.0°	177.4°
C6	C7	C9	H16	180.0°	60.0°
C6	C7	C9	H17	60.0°	180.0°
C6	C7	C9	H18	60.0°	60.0°
C9	C7	C8	H12	116.6°	119.9°
C9	C7	C6	H10	34.7°	174.2°
C9	C7	C6	H11	153.9°	54.1°
C9	C7	C8	H13	55.3°	177.4°
C9	C7	C8	H14	175.3°	62.6°
C9	C7	C8	H15	64.8°	57.4°
C7	C9	H16	H17	120.0°	120.0°
C7	C9	H16	H18	120.0°	120.0°
C7	C9	H17	H18	120.0°	120.1°
C8	C7	C6	H10	159.0°	54.2°
C8	C7	C6	H11	81.8°	65.8°
C7	C8	H13	H14	120.0°	119.9°
C7	C8	H13	H15	120.0°	120.0°
C7	C8	H14	H15	119.9°	120.0°
C8	C7	C9	H16	53.5°	180.0°
C8	C7	C9	H17	66.5°	60.0°
C8	C7	C9	H18	173.5°	60.0°
C3	C2	N	H5	120.4°	120.1°
C3	C2	N	H6	120.4°	119.9°
C3	C2	N	C1	60.2°	180.0°
C3	C2	N	H1	119.9°	0.2°
C3	C2	H5	H6	118.8°	120.0°
C2	C3	H7	H8	120.1°	120.0°
C2	N	C1	H1	180.0°	179.8°
C2	N	C1	C	57.5°	179.7°
C2	N	C1	O1	122.0°	0.2°
N	C2	H5	H6	118.8°	119.9°
N	C2	C3	H7	63.8°	59.9°
N	C2	C3	H8	56.2°	60.1°
N	C1	C	O1	179.5°	179.9°
N	C1	C	H2	179.5°	0.0°
N	C1	C	H3	59.5°	119.9°
N	C1	C	H4	60.5°	120.0°
C1	N	C2	H5	60.2°	59.9°
C1	N	C2	H6	179.5°	60.1°
C	C1	N	H1	122.5°	0.1°
C1	C	H2	H3	120.0°	120.0°
C1	C	H2	H4	120.0°	120.0°
C1	C	H3	H4	120.0°	120.0°
O1	C1	N	H1	58.1°	180.0°
O1	C1	C	H2	0.0°	179.9°
O1	C1	C	H3	120.0°	60.0°
O1	C1	C	H4	120.0°	60.0°
H1	N	C2	H5	119.8°	120.3°
H1	N	C2	H6	0.5°	119.7°
H2	C	H3	H4	120.0°	120.0°
H5	C2	C3	H7	175.8°	180.0°
H5	C2	C3	H8	64.2°	60.0°
H6	C2	C3	H7	56.6°	60.0°
H6	C2	C3	H8	176.6°	180.0°
H9	C5	C6	H10	102.4°	176.7°
H9	C5	C6	H11	138.4°	63.2°
H9	C5	N1	H19	59.6°	56.0°
H9	C5	N1	H20	60.4°	180.0°
H10	C6	C7	H12	82.3°	65.8°
H11	C6	C7	H12	36.9°	174.2°
H12	C7	C8	H13	61.3°	57.5°
H12	C7	C8	H14	58.7°	177.4°
H12	C7	C8	H15	178.7°	62.5°
H12	C7	C9	H16	63.0°	60.1°
H12	C7	C9	H17	177.0°	59.9°
H12	C7	C9	H18	57.0°	179.9°
H13	C8	H14	H15	120.1°	120.1°
H16	C9	H17	H18	119.9°	119.9°

Release date:	2020-11-25
Definition date:	2020-05-12
Last modified:	2020-11-20
Release status:	REL
Processing site:	PDBJ
Derived from:	7C1S