P94

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N28	C27	trip	1.14Å	1.16Å
C27	C24	sing	1.43Å	1.28Å
C25	C24	doub	1.40Å	1.39Å	Aromatic
C25	C26	sing	1.38Å	1.39Å	Aromatic
C24	C23	sing	1.40Å	1.39Å	Aromatic
C26	C21	doub	1.38Å	1.39Å	Aromatic
C23	C22	doub	1.38Å	1.39Å	Aromatic
C21	C22	sing	1.38Å	1.39Å	Aromatic
C21	C14	sing	1.51Å	1.51Å
C14	C13	sing	1.53Å	1.52Å
C13	N12	sing	1.47Å	1.46Å
N12	C11	sing	1.47Å	1.46Å
C11	C08	sing	1.51Å	1.51Å
C09	C08	doub	1.36Å	1.37Å	Aromatic
C09	C10	sing	1.41Å	1.36Å	Aromatic
C08	C07	sing	1.39Å	1.39Å	Aromatic
N01	C10	doub	1.34Å	1.34Å	Aromatic
N01	C02	sing	1.32Å	1.33Å	Aromatic
C10	C05	sing	1.42Å	1.38Å	Aromatic
C07	C06	doub	1.36Å	1.40Å	Aromatic
N02	C02	sing	1.39Å	1.36Å
C02	C03	doub	1.40Å	1.40Å	Aromatic
C05	C06	sing	1.40Å	1.39Å	Aromatic
C05	C04	doub	1.41Å	1.39Å	Aromatic
C03	C04	sing	1.36Å	1.40Å	Aromatic
C22	H1	sing	1.08Å	1.08Å
C23	H2	sing	1.08Å	1.08Å
C25	H3	sing	1.08Å	1.08Å
C26	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
N12	H9	sing	1.01Å	1.00Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C09	H13	sing	1.08Å	1.08Å
C07	H14	sing	1.08Å	1.08Å
C06	H15	sing	1.08Å	1.08Å
C04	H16	sing	1.08Å	1.08Å
C03	H17	sing	1.08Å	1.08Å
N02	H18	sing	0.97Å	1.00Å
N02	H19	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N28	C27	C24	179.5°	180.0°
C27	C24	C25	120.0°	120.2°
C27	C24	C23	119.6°	120.2°
C24	C25	C26	119.8°	119.9°
C25	C24	C23	120.4°	119.7°
C24	C25	H3	120.1°	120.0°
C25	C26	C21	119.6°	120.2°
C26	C25	H3	120.1°	120.1°
C25	C26	H4	120.2°	119.9°
C24	C23	C22	119.9°	119.8°
C24	C23	H2	120.0°	120.0°
C26	C21	C22	120.8°	120.3°
C26	C21	C14	119.8°	119.9°
C21	C26	H4	120.2°	119.9°
C23	C22	C21	119.5°	120.2°
C23	C22	H1	120.3°	119.9°
C22	C23	H2	120.0°	120.1°
C22	C21	C14	119.4°	119.8°
C21	C22	H1	120.2°	119.9°
C21	C14	C13	112.5°	109.5°
C21	C14	H5	108.7°	109.4°
C21	C14	H6	108.7°	109.5°
C14	C13	N12	108.5°	109.4°
C13	C14	H5	108.7°	109.4°
C13	C14	H6	108.7°	109.5°
C14	C13	H7	109.7°	109.4°
C14	C13	H8	109.7°	109.5°
C13	N12	C11	104.6°	111.0°
N12	C13	H7	109.7°	109.5°
N12	C13	H8	109.7°	109.5°
C13	N12	H9	110.7°	111.0°
N12	C11	C08	116.4°	109.5°
C11	N12	H9	110.7°	111.0°
N12	C11	H11	107.7°	109.5°
N12	C11	H12	107.7°	109.4°
C11	C08	C09	114.3°	119.5°
C11	C08	C07	126.7°	119.5°
C08	C11	H11	107.7°	109.5°
C08	C11	H12	107.7°	109.5°
C08	C09	C10	121.0°	119.8°
C09	C08	C07	119.1°	121.0°
C08	C09	H13	119.5°	120.2°
C09	C10	N01	116.3°	121.0°
C09	C10	C05	121.1°	119.1°
C10	C09	H13	119.5°	120.0°
C08	C07	C06	120.2°	120.9°
C08	C07	H14	119.9°	119.6°
C10	N01	C02	121.3°	121.3°
N01	C10	C05	122.7°	119.9°
N01	C02	N02	118.3°	119.3°
N01	C02	C03	118.7°	121.5°
C10	C05	C06	119.2°	119.6°
C10	C05	C04	118.1°	119.1°
C07	C06	C05	119.4°	119.6°
C06	C07	H14	119.9°	119.5°
C07	C06	H15	120.3°	120.2°
N02	C02	C03	122.9°	119.2°
C02	N02	H18	109.5°	120.1°
C02	N02	H19	109.5°	120.0°
C02	C03	C04	121.1°	119.9°
C02	C03	H17	119.4°	120.1°
C06	C05	C04	122.7°	121.2°
C05	C06	H15	120.3°	120.2°
C05	C04	C03	118.0°	118.3°
C05	C04	H16	121.0°	120.9°
C03	C04	H16	121.0°	120.9°
C04	C03	H17	119.4°	120.1°
H5	C14	H6	109.4°	109.5°
H7	C13	H8	109.5°	109.5°
H11	C11	H12	109.5°	109.5°
H18	N02	H19	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N28	C27	C24	C25	128.1°	108.6°
N28	C27	C24	C23	51.7°	71.4°
C27	C24	C25	C23	179.8°	180.0°
C27	C24	C25	C26	179.6°	179.7°
C27	C24	C23	C22	179.8°	180.0°
C27	C24	C23	H2	0.2°	0.0°
C27	C24	C25	H3	0.4°	0.0°
C24	C25	C26	H3	180.0°	179.7°
C24	C25	C26	C21	0.4°	0.5°
C25	C24	C23	C22	0.1°	0.1°
C25	C24	C23	H2	179.9°	180.0°
C24	C25	C26	H4	179.6°	180.0°
C26	C25	C24	C23	0.1°	0.3°
C25	C26	C21	H4	180.0°	179.4°
C25	C26	C21	C22	0.4°	0.5°
C25	C26	C21	C14	179.8°	179.7°
C24	C23	C22	H2	180.0°	180.0°
C24	C23	C22	C21	0.1°	0.0°
C24	C23	C22	H1	179.9°	180.0°
C23	C24	C25	H3	179.8°	180.0°
C26	C21	C22	C23	0.1°	0.3°
C26	C21	C22	C14	179.9°	179.8°
C26	C21	C14	C13	55.0°	90.2°
C26	C21	C22	H1	179.9°	179.8°
C21	C26	C25	H3	179.6°	179.8°
C26	C21	C14	H5	175.5°	29.7°
C26	C21	C14	H6	65.4°	149.7°
C23	C22	C21	H1	180.0°	179.9°
C23	C22	C21	C14	180.0°	180.0°
C22	C21	C14	C13	124.8°	90.0°
C21	C22	C23	H2	179.9°	180.0°
C22	C21	C26	H4	179.6°	180.0°
C22	C21	C14	H5	4.4°	150.0°
C22	C21	C14	H6	114.7°	30.1°
C21	C14	C13	H5	120.5°	119.9°
C21	C14	C13	H6	120.5°	120.1°
C21	C14	C13	N12	166.5°	180.0°
C14	C21	C22	H1	0.0°	0.0°
C14	C21	C26	H4	0.2°	0.3°
C21	C14	H5	H6	118.6°	120.0°
C21	C14	C13	H7	73.6°	60.1°
C21	C14	C13	H8	46.7°	60.0°
C14	C13	N12	H7	119.8°	119.9°
C14	C13	N12	H8	119.9°	120.0°
C14	C13	N12	C11	153.4°	180.0°
C13	C14	H5	H6	118.6°	120.0°
C14	C13	H7	H8	120.4°	120.0°
C14	C13	N12	H9	87.4°	56.1°
C13	N12	C11	H9	119.2°	123.9°
C13	N12	C11	C08	175.1°	180.0°
N12	C13	C14	H5	46.1°	60.1°
N12	C13	C14	H6	73.0°	59.9°
N12	C13	H7	H8	120.4°	120.1°
C13	N12	C11	H11	54.1°	60.0°
C13	N12	C11	H12	63.9°	60.0°
N12	C11	C08	H11	121.0°	120.0°
N12	C11	C08	H12	121.0°	120.0°
N12	C11	C08	C09	171.6°	90.0°
N12	C11	C08	C07	8.6°	90.1°
C11	N12	C13	H7	33.5°	60.1°
C11	N12	C13	H8	86.8°	60.0°
N12	C11	H11	H12	116.9°	120.0°
C11	C08	C09	C07	179.9°	179.9°
C11	C08	C09	C10	179.8°	180.0°
C11	C08	C07	C06	178.9°	180.0°
C08	C11	N12	H9	65.7°	56.0°
C08	C11	H11	H12	116.9°	120.0°
C11	C08	C09	H13	0.2°	0.0°
C11	C08	C07	H14	1.1°	0.0°
C08	C09	C10	H13	180.0°	180.0°
C08	C09	C10	N01	179.9°	179.7°
C08	C09	C10	C05	0.7°	0.0°
C09	C08	C07	C06	1.0°	0.1°
C09	C08	C11	H11	50.6°	30.0°
C09	C08	C11	H12	67.5°	150.0°
C09	C08	C07	H14	179.0°	180.0°
C10	C09	C08	C07	0.0°	0.0°
C09	C10	N01	C05	179.1°	179.7°
C09	C10	N01	C02	179.4°	179.7°
C09	C10	C05	C06	0.5°	0.0°
C09	C10	C05	C04	178.4°	180.0°
C08	C07	C06	H14	180.0°	180.0°
C08	C07	C06	C05	1.1°	0.1°
C07	C08	C11	H11	129.6°	149.9°
C07	C08	C11	H12	112.4°	29.9°
C07	C08	C09	H13	180.0°	179.9°
C08	C07	C06	H15	178.8°	180.0°
C10	N01	C02	N02	179.8°	179.7°
C10	N01	C02	C03	1.6°	0.6°
N01	C10	C05	C06	179.6°	179.7°
N01	C10	C05	C04	0.7°	0.3°
N01	C10	C09	H13	0.1°	0.2°
C02	N01	C10	C05	0.3°	0.6°
N01	C02	N02	C03	178.5°	179.7°
N01	C02	C03	C04	2.0°	0.3°
N01	C02	C03	H17	177.9°	179.6°
N01	C02	N02	H18	0.0°	179.7°
N01	C02	N02	H19	120.0°	0.3°
C10	C05	C06	C07	0.4°	0.0°
C10	C05	C06	C04	178.9°	180.0°
C10	C05	C04	C03	0.2°	0.0°
C05	C10	C09	H13	179.3°	179.9°
C10	C05	C06	H15	179.6°	179.9°
C10	C05	C04	H16	179.8°	180.0°
C07	C06	C05	H15	180.0°	179.9°
C07	C06	C05	C04	179.3°	180.0°
N02	C02	C03	C04	179.4°	180.0°
N02	C02	C03	H17	0.6°	0.1°
C02	N02	H18	H19	120.0°	180.0°
C02	C03	C04	C05	1.1°	0.0°
C02	C03	C04	H17	180.0°	179.9°
C02	C03	C04	H16	178.9°	180.0°
C03	C02	N02	H18	178.5°	0.0°
C03	C02	N02	H19	58.5°	180.0°
C06	C05	C04	C03	179.2°	179.9°
C05	C06	C07	H14	178.8°	180.0°
C06	C05	C04	H16	0.8°	0.1°
C05	C04	C03	H16	180.0°	180.0°
C04	C05	C06	H15	0.7°	0.1°
C05	C04	C03	H17	178.9°	179.9°
H1	C22	C23	H2	0.1°	0.1°
H3	C25	C26	H4	0.4°	0.3°
H5	C14	C13	H7	165.9°	180.0°
H5	C14	C13	H8	73.8°	60.0°
H6	C14	C13	H7	46.8°	60.0°
H6	C14	C13	H8	167.1°	180.0°
H7	C13	N12	H9	152.8°	176.0°
H8	C13	N12	H9	32.5°	63.9°
H9	N12	C11	H11	173.4°	176.1°
H9	N12	C11	H12	55.3°	64.0°
H14	C07	C06	H15	1.2°	0.1°
H16	C04	C03	H17	1.1°	0.1°

Release date:	2017-08-16
Definition date:	2017-05-24
Last modified:	2017-08-11
Release status:	REL
Processing site:	RCSB
Derived from:	5VV3