GDY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.38Å	1.44Å	Aromatic
C01	C05	doub	1.33Å	1.40Å	Aromatic
C02	C03	doub	1.33Å	1.41Å	Aromatic
C05	S04	sing	1.76Å	1.69Å	Aromatic
C03	S04	sing	1.76Å	1.70Å	Aromatic
C03	C06	sing	1.51Å	1.54Å
C06	C07	sing	1.53Å	1.54Å
C07	O08	sing	1.43Å	1.41Å
O08	C09	sing	1.36Å	1.42Å
C09	C10	doub	1.39Å	1.39Å	Aromatic
C09	C14	sing	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.40Å	Aromatic
C14	C13	doub	1.38Å	1.40Å	Aromatic
C11	C12	doub	1.40Å	1.39Å	Aromatic
C13	C12	sing	1.40Å	1.40Å	Aromatic
C12	C15	sing	1.47Å	1.55Å
C15	C16	doub	1.36Å	1.55Å
S22	C16	sing	1.77Å	1.71Å
S22	C20	sing	1.77Å	1.69Å
C16	C17	sing	1.47Å	1.43Å
C20	O21	doub	1.22Å	1.40Å
C20	N19	sing	1.34Å	1.34Å
C17	N19	sing	1.32Å	1.36Å
C17	O18	doub	1.22Å	1.40Å
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C01	H5	sing	1.08Å	1.08Å
C02	H6	sing	1.08Å	1.08Å
C05	H7	sing	1.08Å	1.08Å
C06	H8	sing	1.09Å	1.10Å
C06	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.09Å	1.10Å
C07	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
N19	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C02	C01	C05	115.8°	114.9°
C01	C02	C03	113.7°	114.9°
C02	C01	H5	122.1°	122.6°
C01	C02	H6	123.1°	122.5°
C01	C05	S04	104.5°	109.6°
C05	C01	H5	122.1°	122.5°
C01	C05	H7	127.7°	125.3°
C02	C03	S04	105.2°	109.6°
C02	C03	C06	128.6°	125.2°
C03	C02	H6	123.1°	122.6°
C05	S04	C03	100.8°	91.0°
S04	C05	H7	127.7°	125.2°
S04	C03	C06	126.2°	125.2°
C03	C06	C07	118.7°	109.5°
C03	C06	H8	107.1°	109.4°
C03	C06	H9	107.1°	109.5°
C06	C07	O08	108.6°	109.4°
C07	C06	H8	107.1°	109.5°
C07	C06	H9	107.1°	109.5°
C06	C07	H10	109.7°	109.4°
C06	C07	H11	109.7°	109.5°
C07	O08	C09	118.1°	117.0°
O08	C07	H10	109.7°	109.5°
O08	C07	H11	109.7°	109.5°
O08	C09	C10	121.9°	119.9°
O08	C09	C14	119.9°	119.9°
C10	C09	C14	118.2°	120.2°
C09	C10	C11	121.4°	120.2°
C09	C10	H1	119.3°	119.9°
C09	C14	C13	120.7°	120.1°
C09	C14	H13	119.7°	119.9°
C10	C11	C12	120.3°	119.9°
C11	C10	H1	119.3°	119.9°
C10	C11	H12	119.9°	120.1°
C14	C13	C12	121.1°	119.8°
C14	C13	H2	119.5°	120.1°
C13	C14	H13	119.6°	119.9°
C11	C12	C13	118.3°	119.8°
C11	C12	C15	122.0°	120.1°
C12	C11	H12	119.9°	120.0°
C13	C12	C15	119.6°	120.1°
C12	C13	H2	119.4°	120.1°
C12	C15	C16	125.1°	120.0°
C12	C15	H3	117.5°	120.0°
C15	C16	S22	129.8°	128.0°
C15	C16	C17	127.4°	128.0°
C16	C15	H3	117.4°	120.0°
C16	S22	C20	98.4°	94.6°
S22	C16	C17	102.7°	104.1°
S22	C20	O21	127.3°	126.5°
S22	C20	N19	106.8°	106.9°
C16	C17	N19	115.9°	115.0°
C16	C17	O18	125.5°	122.6°
O21	C20	N19	125.9°	126.6°
C20	N19	C17	116.1°	119.5°
C20	N19	H14	122.0°	120.2°
N19	C17	O18	118.6°	122.5°
C17	N19	H14	121.9°	120.3°
H8	C06	H9	109.5°	109.5°
H10	C07	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C02	C01	C05	H5	180.0°	179.7°
C01	C02	C03	H6	180.0°	180.0°
C02	C01	C05	S04	0.2°	0.0°
C01	C02	C03	S04	0.8°	0.0°
C01	C02	C03	C06	179.8°	179.9°
C02	C01	C05	H7	179.8°	180.0°
C05	C01	C02	C03	0.7°	0.0°
C01	C05	S04	H7	180.0°	180.0°
C01	C05	S04	C03	0.3°	0.0°
C05	C01	C02	H6	179.2°	180.0°
C02	C03	S04	C05	0.6°	0.0°
C02	C03	S04	C06	179.0°	179.9°
C02	C03	C06	C07	36.2°	90.0°
C03	C02	C01	H5	179.3°	179.8°
C02	C03	C06	H8	157.5°	150.0°
C02	C03	C06	H9	85.1°	30.1°
C05	S04	C03	C06	179.6°	179.9°
S04	C05	C01	H5	179.8°	179.8°
S04	C03	C06	C07	145.1°	89.9°
S04	C03	C02	H6	179.1°	180.0°
C03	S04	C05	H7	179.7°	180.0°
S04	C03	C06	H8	23.8°	30.1°
S04	C03	C06	H9	93.6°	150.0°
C03	C06	C07	H8	121.3°	119.9°
C03	C06	C07	H9	121.3°	120.0°
C03	C06	C07	O08	156.3°	180.0°
C06	C03	C02	H6	0.2°	0.1°
C03	C06	H8	H9	115.8°	120.0°
C03	C06	C07	H10	83.8°	60.1°
C03	C06	C07	H11	36.5°	60.0°
C06	C07	O08	H10	119.8°	119.9°
C06	C07	O08	H11	119.9°	120.0°
C06	C07	O08	C09	120.3°	180.0°
C07	C06	H8	H9	115.8°	120.1°
C06	C07	H10	H11	120.4°	120.0°
C07	O08	C09	C10	60.0°	180.0°
C07	O08	C09	C14	120.5°	0.0°
O08	C07	C06	H8	35.0°	60.1°
O08	C07	C06	H9	82.4°	60.0°
O08	C07	H10	H11	120.4°	120.1°
O08	C09	C10	C14	179.5°	179.9°
O08	C09	C10	C11	179.6°	180.0°
O08	C09	C14	C13	179.8°	179.4°
O08	C09	C10	H1	0.4°	0.3°
C09	O08	C07	H10	119.9°	60.1°
C09	O08	C07	H11	0.4°	60.0°
O08	C09	C14	H13	0.2°	0.0°
C09	C10	C11	H1	180.0°	179.7°
C10	C09	C14	C13	0.3°	0.5°
C09	C10	C11	C12	1.3°	0.3°
C09	C10	C11	H12	178.7°	179.7°
C10	C09	C14	H13	179.7°	179.9°
C14	C09	C10	C11	0.1°	0.1°
C09	C14	C13	H13	180.0°	179.4°
C09	C14	C13	C12	0.9°	0.8°
C14	C09	C10	H1	179.9°	179.7°
C09	C14	C13	H2	179.1°	179.7°
C10	C11	C12	H12	180.0°	180.0°
C10	C11	C12	C13	2.4°	0.0°
C10	C11	C12	C15	178.0°	179.4°
C14	C13	C12	C11	2.3°	0.5°
C14	C13	C12	H2	180.0°	179.5°
C14	C13	C12	C15	178.0°	180.0°
C11	C12	C13	C15	175.7°	179.5°
C11	C12	C15	C16	76.7°	21.5°
C12	C11	C10	H1	178.8°	180.0°
C11	C12	C13	H2	177.7°	180.0°
C11	C12	C15	H3	103.3°	158.5°
C13	C12	C15	C16	107.7°	159.1°
C13	C12	C15	H3	72.3°	21.0°
C13	C12	C11	H12	177.6°	180.0°
C12	C13	C14	H13	179.1°	179.8°
C12	C15	C16	H3	180.0°	180.0°
C12	C15	C16	S22	34.2°	7.5°
C12	C15	C16	C17	149.3°	172.6°
C15	C12	C13	H2	2.0°	0.5°
C15	C12	C11	H12	1.9°	0.6°
C15	C16	S22	C17	177.1°	179.9°
C15	C16	S22	C20	177.1°	179.7°
C15	C16	C17	N19	177.3°	179.9°
C15	C16	C17	O18	2.7°	0.3°
C16	S22	C20	O21	179.0°	179.9°
C16	S22	C20	N19	0.0°	0.3°
S22	C16	C17	N19	0.0°	0.0°
S22	C16	C17	O18	180.0°	179.7°
S22	C16	C15	H3	145.8°	172.5°
C20	S22	C16	C17	0.0°	0.2°
S22	C20	O21	N19	178.8°	179.4°
S22	C20	N19	C17	0.0°	0.4°
S22	C20	N19	H14	180.0°	179.6°
C16	C17	N19	C20	0.1°	0.3°
C16	C17	N19	O18	180.0°	179.7°
C17	C16	C15	H3	30.7°	7.4°
C16	C17	N19	H14	180.0°	179.7°
O21	C20	N19	C17	179.0°	180.0°
O21	C20	N19	H14	1.0°	0.0°
C20	N19	C17	H14	180.0°	180.0°
C20	N19	C17	O18	179.9°	180.0°
O18	C17	N19	H14	0.0°	0.0°
H1	C10	C11	H12	1.3°	0.0°
H2	C13	C14	H13	1.0°	0.3°
H5	C01	C02	H6	0.7°	0.3°
H5	C01	C05	H7	0.2°	0.3°
H8	C06	C07	H10	154.8°	180.0°
H8	C06	C07	H11	84.9°	60.0°
H9	C06	C07	H10	37.5°	59.9°
H9	C06	C07	H11	157.8°	NaN°

Release date:	2019-05-22
Definition date:	2018-05-18
Last modified:	2019-05-17
Release status:	REL
Processing site:	RCSB
Derived from:	6DGR