G3Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C7	sing	1.43Å	1.42Å
C5	C4	doub	1.38Å	1.39Å	Aromatic
C5	C	sing	1.38Å	1.38Å	Aromatic
O1	C11	sing	1.44Å	1.42Å
O1	C9	sing	1.45Å	1.45Å
C11	C6	sing	1.54Å	1.58Å
C11	O	sing	1.44Å	1.39Å
C4	C3	sing	1.39Å	1.39Å	Aromatic
C6	C7	sing	1.53Å	1.53Å
C6	S	sing	1.81Å	1.84Å
C	C1	doub	1.38Å	1.38Å	Aromatic
C7	C8	sing	1.53Å	1.53Å
C9	C8	sing	1.54Å	1.53Å
C9	C10	sing	1.55Å	1.50Å
O	C10	sing	1.44Å	1.43Å
C3	S	sing	1.76Å	1.77Å
C3	C2	doub	1.39Å	1.39Å	Aromatic
C8	N	sing	1.47Å	1.50Å
C1	C2	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
O2	H10	sing	0.97Å	0.95Å
N	H11	sing	1.01Å	1.00Å
N	H12	sing	1.01Å	1.00Å
C2	H14	sing	1.08Å	1.08Å
C1	H15	sing	1.08Å	1.08Å
C	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C7	C6	107.6°	109.4°
O2	C7	C8	108.1°	109.5°
O2	C7	H4	109.9°	109.5°
C7	O2	H10	109.5°	114.0°
C4	C5	C	120.3°	120.1°
C5	C4	C3	120.1°	119.9°
C5	C4	H1	119.9°	120.0°
C4	C5	H2	119.9°	119.9°
C5	C	C1	119.8°	120.1°
C	C5	H2	119.8°	120.0°
C5	C	H16	120.1°	119.9°
C11	O1	C9	102.5°	102.7°
O1	C11	C6	113.3°	107.5°
O1	C11	O	106.1°	105.9°
O1	C11	H9	113.2°	112.2°
O1	C9	C8	109.7°	107.1°
O1	C9	C10	100.8°	102.6°
O1	C9	H6	112.4°	113.4°
C6	C11	O	99.0°	108.2°
C11	C6	C7	108.4°	108.8°
C11	C6	S	114.0°	109.6°
C11	C6	H3	107.9°	109.7°
C6	C11	H9	110.7°	111.3°
C11	O	C10	107.7°	106.9°
O	C11	H9	113.7°	111.4°
C4	C3	S	119.9°	120.1°
C4	C3	C2	119.3°	119.8°
C3	C4	H1	119.9°	120.0°
C7	C6	S	112.4°	109.6°
C6	C7	C8	114.4°	109.3°
C7	C6	H3	108.5°	109.6°
C6	C7	H4	108.4°	109.5°
C6	S	C3	103.7°	103.0°
S	C6	H3	105.4°	109.6°
C	C1	C2	120.2°	120.1°
C	C1	H15	119.9°	120.0°
C1	C	H16	120.1°	120.0°
C7	C8	C9	111.8°	108.5°
C7	C8	N	109.2°	109.6°
C8	C7	H4	108.5°	109.5°
C7	C8	H5	108.5°	109.6°
C8	C9	C10	110.4°	107.7°
C9	C8	N	109.9°	109.6°
C9	C8	H5	108.5°	109.8°
C8	C9	H6	111.3°	112.6°
C9	C10	O	104.7°	104.9°
C10	C9	H6	111.8°	112.7°
C9	C10	H7	110.6°	110.4°
C9	C10	H8	110.6°	110.4°
O	C10	H7	110.6°	110.3°
O	C10	H8	110.7°	110.4°
S	C3	C2	120.7°	120.1°
C3	C2	C1	120.3°	119.9°
C3	C2	H14	119.8°	120.0°
N	C8	H5	108.9°	109.6°
C8	N	H11	109.5°	111.0°
C8	N	H12	109.5°	111.0°
C1	C2	H14	119.9°	120.1°
C2	C1	H15	119.9°	119.9°
H7	C10	H8	109.5°	110.3°
H11	N	H12	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C7	C6	C11	78.8°	171.5°
O2	C7	C6	C8	120.2°	119.9°
O2	C7	C6	H4	118.7°	120.1°
O2	C7	C6	S	154.3°	68.7°
O2	C7	C8	H4	119.1°	120.2°
O2	C7	C8	C9	84.2°	171.9°
O2	C7	C8	N	154.0°	68.4°
O2	C7	C6	H3	38.2°	51.6°
O2	C7	C8	H5	35.4°	52.0°
C4	C5	C	H2	180.0°	180.0°
C5	C4	C3	H1	180.0°	179.6°
C4	C5	C	C1	0.7°	0.5°
C5	C4	C3	S	174.9°	179.7°
C5	C4	C3	C2	1.2°	0.3°
C4	C5	C	H16	179.3°	180.0°
C	C5	C4	C3	0.1°	0.1°
C5	C	C1	H16	180.0°	179.5°
C5	C	C1	C2	0.6°	0.8°
C	C5	C4	H1	179.9°	179.7°
C5	C	C1	H15	179.5°	179.8°
O1	C11	C6	O	112.0°	114.0°
O1	C11	C6	H9	128.4°	123.2°
O1	C11	O	H9	125.0°	122.3°
O1	C11	C6	C7	10.9°	63.9°
O1	C11	C6	S	136.9°	176.3°
C11	O1	C9	C8	75.0°	75.2°
C11	O1	C9	C10	41.4°	38.1°
O1	C11	O	C10	19.9°	26.0°
O1	C11	C6	H3	106.5°	56.0°
C11	O1	C9	H6	160.6°	160.0°
C9	O1	C11	C6	68.5°	74.7°
C9	O1	C11	O	39.1°	40.8°
O1	C9	C8	C7	22.9°	64.7°
O1	C9	C8	C10	110.2°	109.8°
O1	C9	C8	H6	125.1°	125.4°
O1	C9	C10	H6	119.6°	122.3°
O1	C9	C10	O	29.7°	22.8°
O1	C9	C8	N	144.3°	175.6°
O1	C9	C8	H5	96.8°	55.1°
O1	C9	C10	H7	149.0°	141.6°
O1	C9	C10	H8	89.5°	96.2°
C9	O1	C11	H9	164.4°	162.6°
C6	C11	O	H9	117.4°	122.7°
C11	C6	C7	S	127.0°	119.8°
C11	C6	C7	H3	116.9°	119.9°
C11	C6	S	H3	118.1°	120.4°
C11	C6	C7	C8	41.4°	51.6°
C6	C11	O	C10	97.7°	89.0°
C11	C6	S	C3	150.2°	65.7°
C11	C6	C7	H4	162.5°	68.4°
O	C11	C6	C7	101.1°	50.1°
O	C11	C6	S	24.9°	69.7°
C11	O	C10	C9	6.8°	1.6°
O	C11	C6	H3	141.6°	169.9°
C11	O	C10	H7	126.0°	117.2°
C11	O	C10	H8	112.5°	120.6°
C4	C3	S	C6	1.0°	179.9°
C4	C3	S	C2	176.0°	179.9°
C4	C3	C2	C1	1.3°	0.0°
C3	C4	C5	H2	179.8°	180.0°
C4	C3	C2	H14	178.7°	180.0°
C7	C6	S	H3	118.0°	120.3°
C6	C7	C8	H4	121.0°	120.0°
C6	C7	C8	C9	35.7°	52.0°
C7	C6	S	C3	85.9°	175.0°
C6	C7	C8	N	86.1°	171.7°
C6	C7	C8	H5	155.3°	67.9°
C7	C6	C11	H9	139.3°	172.9°
C6	C7	O2	H10	180.0°	60.0°
S	C6	C7	C8	85.5°	171.3°
C6	S	C3	C2	175.0°	0.0°
S	C6	C7	H4	35.5°	51.3°
S	C6	C11	H9	94.7°	53.0°
C	C1	C2	C3	0.5°	0.5°
C	C1	C2	H15	180.0°	179.5°
C1	C	C5	H2	179.3°	179.5°
C	C1	C2	H14	179.5°	179.5°
C7	C8	C9	N	121.4°	119.7°
C7	C8	C9	H5	119.7°	119.8°
C7	C8	C9	C10	87.4°	45.0°
C7	C8	N	H5	118.3°	120.4°
C8	C7	C6	H3	158.3°	68.4°
C7	C8	C9	H6	148.0°	169.9°
C8	C7	O2	H10	55.9°	179.8°
C7	C8	N	H11	180.0°	60.0°
C7	C8	N	H12	60.0°	176.0°
C8	C9	C10	H6	124.4°	124.8°
C8	C9	C10	O	86.2°	90.0°
C9	C8	N	H5	118.7°	120.6°
C9	C8	C7	H4	156.7°	67.9°
C8	C9	C10	H7	33.0°	28.7°
C8	C9	C10	H8	154.5°	151.0°
C9	C8	N	H11	57.0°	179.0°
C9	C8	N	H12	63.0°	57.0°
C9	C10	O	H7	119.3°	118.9°
C9	C10	O	H8	119.3°	119.0°
C10	C9	C8	N	34.1°	74.7°
C10	C9	C8	H5	153.0°	164.9°
C9	C10	H7	H8	122.2°	122.3°
O	C10	C9	H6	149.4°	145.1°
O	C10	H7	H8	122.2°	122.2°
C10	O	C11	H9	144.9°	148.3°
S	C3	C2	C1	174.7°	180.0°
S	C3	C4	H1	5.1°	0.1°
C3	S	C6	H3	32.0°	54.7°
S	C3	C2	H14	5.3°	0.0°
C3	C2	C1	H14	180.0°	180.0°
C2	C3	C4	H1	178.8°	180.0°
C3	C2	C1	H15	179.5°	180.0°
N	C8	C7	H4	34.9°	51.8°
N	C8	C9	H6	90.6°	50.2°
C8	N	H11	H12	120.0°	124.0°
C2	C1	C	H16	179.4°	179.7°
H1	C4	C5	H2	0.1°	0.3°
H2	C5	C	H16	0.7°	0.0°
H3	C6	C7	H4	80.6°	171.6°
H3	C6	C11	H9	22.0°	67.3°
H4	C7	C8	H5	83.7°	172.1°
H4	C7	O2	H10	62.3°	60.0°
H5	C8	C9	H6	28.3°	70.3°
H5	C8	N	H11	61.7°	60.4°
H5	C8	N	H12	178.3°	63.6°
H6	C9	C10	H7	91.4°	96.1°
H6	C9	C10	H8	30.1°	26.2°
H14	C2	C1	H15	0.5°	0.0°
H15	C1	C	H16	0.6°	0.3°

Release date:	2024-06-19
Definition date:	2021-12-16
Last modified:	2024-06-14
Release status:	REL
Processing site:	PDBE
Derived from:	8S45