LD5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C19	doub	1.33Å	1.32Å
N28	C01	sing	1.35Å	1.33Å	Aromatic
N28	C27	sing	1.38Å	1.36Å	Aromatic
C01	N02	doub	1.30Å	1.33Å	Aromatic
C19	C18	sing	1.48Å	1.52Å
C27	C18	doub	1.40Å	1.42Å	Aromatic
C27	C03	sing	1.41Å	1.37Å	Aromatic
N02	C03	sing	1.35Å	1.35Å	Aromatic
C18	N17	sing	1.33Å	1.33Å	Aromatic
C03	N04	doub	1.33Å	1.35Å	Aromatic
N17	C05	doub	1.33Å	1.33Å	Aromatic
N04	C05	sing	1.32Å	1.32Å	Aromatic
C05	N06	sing	1.39Å	1.45Å
N06	C07	sing	1.40Å	1.45Å
C16	C07	doub	1.39Å	1.38Å	Aromatic
C16	C15	sing	1.38Å	1.38Å	Aromatic
C07	C08	sing	1.39Å	1.38Å	Aromatic
C15	C10	doub	1.38Å	1.39Å	Aromatic
C08	C09	doub	1.38Å	1.38Å	Aromatic
C10	C09	sing	1.38Å	1.38Å	Aromatic
C10	S11	sing	1.76Å	1.81Å
N12	S11	sing	1.66Å	1.70Å
S11	O14	doub	1.42Å	1.46Å
S11	O13	doub	1.42Å	1.47Å
C15	H151	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
N28	H1	sing	0.97Å	1.00Å
C20	H2	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å
C01	H011	sing	1.08Å	1.08Å
C08	H081	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
N06	H061	sing	0.97Å	1.00Å
N12	H122	sing	0.97Å	1.00Å
N12	H121	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	C19	C18	130.3°	120.0°
C20	C19	H191	114.9°	119.9°
C19	C20	H2	120.0°	120.0°
C19	C20	H201	120.0°	120.1°
C01	N28	C27	108.0°	107.2°
N28	C01	N02	110.0°	110.1°
C01	N28	H1	126.0°	126.4°
N28	C01	H011	125.0°	124.9°
N28	C27	C18	135.7°	135.2°
N28	C27	C03	106.6°	106.1°
C27	N28	H1	126.0°	126.4°
C01	N02	C03	107.5°	109.8°
N02	C01	H011	125.0°	124.9°
C19	C18	C27	124.5°	120.7°
C19	C18	N17	116.4°	120.7°
C18	C19	H191	114.8°	120.1°
C18	C27	C03	117.7°	118.7°
C27	C18	N17	119.0°	118.6°
C27	C03	N02	107.9°	106.8°
C27	C03	N04	119.7°	118.7°
N02	C03	N04	132.4°	134.5°
C18	N17	C05	121.1°	121.0°
C03	N04	C05	121.0°	120.6°
N17	C05	N04	121.4°	122.4°
N17	C05	N06	121.9°	118.8°
N04	C05	N06	116.6°	118.8°
C05	N06	C07	124.4°	120.0°
C05	N06	H061	117.8°	120.0°
N06	C07	C16	122.5°	120.1°
N06	C07	C08	117.2°	120.1°
C07	N06	H061	117.8°	120.0°
C07	C16	C15	119.7°	119.9°
C16	C07	C08	120.2°	119.8°
C07	C16	H161	120.1°	120.0°
C16	C15	C10	119.8°	120.1°
C16	C15	H151	120.1°	119.9°
C15	C16	H161	120.1°	120.1°
C07	C08	C09	120.2°	120.0°
C07	C08	H081	119.9°	120.0°
C15	C10	C09	120.3°	120.2°
C15	C10	S11	119.3°	119.9°
C10	C15	H151	120.1°	120.0°
C08	C09	C10	119.7°	120.0°
C09	C08	H081	119.9°	120.0°
C08	C09	H091	120.2°	120.0°
C09	C10	S11	120.3°	119.9°
C10	C09	H091	120.2°	120.0°
C10	S11	N12	107.4°	107.2°
C10	S11	O14	112.0°	106.4°
C10	S11	O13	110.9°	106.4°
N12	S11	O14	113.4°	106.4°
N12	S11	O13	109.8°	106.4°
S11	N12	H122	109.5°	120.0°
S11	N12	H121	109.5°	120.0°
O14	S11	O13	103.4°	123.1°
H2	C20	H201	120.0°	120.0°
H122	N12	H121	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	C19	C18	H191	180.0°	179.9°
C20	C19	C18	C27	67.9°	179.7°
C20	C19	C18	N17	116.8°	0.1°
C19	C20	H2	H201	180.0°	180.0°
C01	N28	C27	H1	180.0°	179.9°
N28	C01	N02	H011	180.0°	179.9°
C01	N28	C27	C18	178.1°	180.0°
C01	N28	C27	C03	0.2°	0.0°
N28	C01	N02	C03	0.4°	0.0°
C27	N28	C01	N02	0.1°	0.0°
N28	C27	C18	C19	4.4°	0.2°
N28	C27	C18	C03	177.8°	179.9°
N28	C27	C03	N02	0.4°	0.0°
N28	C27	C18	N17	179.6°	180.0°
N28	C27	C03	N04	179.8°	179.9°
C27	N28	C01	H011	179.9°	179.9°
C01	N02	C03	C27	0.5°	0.0°
C01	N02	C03	N04	179.8°	180.0°
N02	C01	N28	H1	179.9°	179.9°
C19	C18	C27	N17	175.2°	179.8°
C19	C18	C27	C03	177.8°	179.8°
C19	C18	N17	C05	177.4°	179.8°
C18	C19	C20	H2	180.0°	0.0°
C18	C19	C20	H201	0.0°	179.9°
C18	C27	C03	N02	178.8°	180.0°
C18	C27	C03	N04	1.8°	0.0°
C27	C18	N17	C05	1.7°	0.0°
C27	C18	C19	H191	112.1°	0.2°
C18	C27	N28	H1	1.9°	0.1°
C27	C03	N02	N04	179.3°	179.9°
C03	C27	C18	N17	2.6°	0.0°
C27	C03	N04	C05	0.2°	0.0°
C03	C27	N28	H1	179.8°	179.9°
N02	C03	N04	C05	179.4°	180.0°
C03	N02	C01	H011	179.7°	179.9°
C18	N17	C05	N04	0.1°	0.0°
C18	N17	C05	N06	178.9°	180.0°
N17	C18	C19	H191	63.2°	180.0°
C03	N04	C05	N17	0.8°	0.0°
C03	N04	C05	N06	179.8°	180.0°
N17	C05	N04	N06	179.0°	180.0°
N17	C05	N06	C07	4.5°	174.4°
N17	C05	N06	H061	175.4°	5.6°
N04	C05	N06	C07	176.4°	5.6°
N04	C05	N06	H061	3.6°	174.4°
C05	N06	C07	H061	180.0°	180.0°
C05	N06	C07	C16	25.3°	146.2°
C05	N06	C07	C08	156.3°	33.5°
N06	C07	C16	C08	178.4°	179.7°
N06	C07	C16	C15	179.3°	179.8°
N06	C07	C08	C09	179.0°	180.0°
N06	C07	C08	H081	0.9°	0.2°
N06	C07	C16	H161	0.6°	0.3°
C07	C16	C15	H161	180.0°	180.0°
C07	C16	C15	C10	0.5°	0.1°
C16	C07	C08	C09	0.6°	0.3°
C07	C16	C15	H151	179.4°	179.7°
C16	C07	C08	H081	179.4°	179.9°
C16	C07	N06	H061	154.8°	33.7°
C15	C16	C07	C08	0.9°	0.0°
C16	C15	C10	H151	180.0°	179.6°
C16	C15	C10	C09	0.2°	0.4°
C16	C15	C10	S11	179.7°	179.7°
C07	C08	C09	H081	180.0°	179.8°
C07	C08	C09	C10	0.2°	0.5°
C07	C08	C09	H091	179.8°	180.0°
C08	C07	C16	H161	179.0°	180.0°
C08	C07	N06	H061	23.7°	146.5°
C15	C10	C09	C08	0.6°	0.6°
C15	C10	C09	S11	179.5°	179.9°
C15	C10	S11	N12	2.0°	90.0°
C15	C10	S11	O14	123.2°	23.5°
C15	C10	S11	O13	121.9°	156.4°
C15	C10	C09	H091	179.4°	180.0°
C10	C15	C16	H161	179.4°	180.0°
C08	C09	C10	H091	180.0°	179.4°
C08	C09	C10	S11	179.9°	179.5°
C09	C10	S11	N12	177.5°	90.0°
C09	C10	S11	O14	57.3°	156.4°
C09	C10	S11	O13	57.5°	23.5°
C09	C10	C15	H151	179.8°	180.0°
C10	C09	C08	H081	179.8°	179.7°
C10	S11	N12	O14	124.4°	113.6°
C10	S11	N12	O13	120.6°	113.6°
C10	S11	O14	O13	119.4°	123.0°
S11	C10	C15	H151	0.3°	0.1°
S11	C10	C09	H091	0.1°	0.1°
C10	S11	N12	H122	180.0°	150.0°
C10	S11	N12	H121	60.0°	30.0°
N12	S11	O14	O13	118.8°	122.9°
S11	N12	H122	H121	120.0°	180.0°
O14	S11	N12	H122	55.7°	96.4°
O14	S11	N12	H121	175.6°	83.6°
O13	S11	N12	H122	59.4°	36.4°
O13	S11	N12	H121	60.6°	143.6°
H151	C15	C16	H161	0.6°	0.3°
H191	C19	C20	H2	0.0°	179.9°
H191	C19	C20	H201	180.0°	0.0°
H1	N28	C01	H011	0.1°	0.0°
H081	C08	C09	H091	0.2°	0.2°

Release date:	2020-06-17
Definition date:	2019-08-05
Last modified:	2020-06-12
Release status:	REL
Processing site:	PDBE
Derived from:	6SGD