83V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C21	sing	1.53Å	1.52Å
C20	C19	sing	1.53Å	1.54Å
C21	N	sing	1.47Å	1.44Å
C21	C22	sing	1.53Å	1.53Å
C29	C28	doub	1.38Å	1.40Å	Aromatic
C29	C24	sing	1.38Å	1.40Å	Aromatic
C23	C22	sing	1.53Å	1.51Å
C23	C24	sing	1.51Å	1.51Å
O	C18	doub	1.21Å	1.17Å
C28	C27	sing	1.38Å	1.40Å	Aromatic
C24	C25	doub	1.38Å	1.40Å	Aromatic
C19	C18	sing	1.51Å	1.50Å
C27	C26	doub	1.38Å	1.40Å	Aromatic
C25	C26	sing	1.38Å	1.40Å	Aromatic
C19	H9	sing	1.09Å	1.10Å
C19	H10	sing	1.09Å	1.10Å
N	H	sing	1.01Å	1.00Å
C21	H49	sing	1.09Å	1.10Å
C22	H50	sing	1.09Å	1.10Å
C22	H51	sing	1.09Å	1.10Å
C23	H52	sing	1.09Å	1.10Å
C23	H53	sing	1.09Å	1.10Å
C29	H54	sing	1.08Å	1.08Å
C28	H55	sing	1.08Å	1.08Å
C27	H56	sing	1.08Å	1.08Å
C26	H57	sing	1.08Å	1.08Å
C25	H58	sing	1.08Å	1.08Å
C20	H59	sing	1.09Å	1.10Å
C20	H60	sing	1.09Å	1.10Å
N	H2	sing	1.01Å	1.00Å
C18	OXT	sing	1.34Å	116.53Å
OXT	HXT	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C20	C19	111.1°	109.5°
C20	C21	N	108.3°	109.4°
C20	C21	C22	114.1°	109.5°
C20	C21	H49	108.7°	109.5°
C21	C20	H59	109.1°	109.4°
C21	C20	H60	109.1°	109.4°
C20	C19	C18	116.1°	109.5°
C20	C19	H9	107.8°	109.4°
C20	C19	H10	107.8°	109.5°
C19	C20	H59	109.1°	109.5°
C19	C20	H60	109.1°	109.5°
N	C21	C22	107.3°	109.5°
C21	N	H	109.5°	111.0°
N	C21	H49	109.8°	109.5°
C21	N	H2	109.4°	111.0°
C21	C22	C23	109.5°	109.5°
C22	C21	H49	108.5°	109.5°
C21	C22	H50	109.5°	109.5°
C21	C22	H51	109.5°	109.4°
C28	C29	C24	121.1°	120.0°
C29	C28	C27	119.6°	120.0°
C28	C29	H54	119.4°	120.0°
C29	C28	H55	120.2°	120.0°
C29	C24	C23	120.2°	120.0°
C29	C24	C25	119.6°	120.0°
C24	C29	H54	119.5°	120.0°
C22	C23	C24	109.4°	109.5°
C23	C22	H50	109.5°	109.5°
C23	C22	H51	109.4°	109.5°
C22	C23	H52	109.5°	109.4°
C22	C23	H53	109.5°	109.5°
C23	C24	C25	120.2°	120.0°
C24	C23	H52	109.5°	109.5°
C24	C23	H53	109.5°	109.5°
O	C18	C19	116.2°	120.0°
O	C18	OXT	91.2°	120.0°
C28	C27	C26	119.0°	120.0°
C27	C28	H55	120.2°	120.0°
C28	C27	H56	120.5°	120.0°
C24	C25	C26	118.9°	120.0°
C24	C25	H58	120.5°	120.0°
C18	C19	H9	107.8°	109.5°
C18	C19	H10	107.8°	109.5°
C19	C18	OXT	71.5°	120.0°
C27	C26	C25	121.8°	120.0°
C26	C27	H56	120.5°	120.0°
C27	C26	H57	119.1°	120.0°
C25	C26	H57	119.1°	120.1°
C26	C25	H58	120.5°	120.0°
H9	C19	H10	109.5°	109.5°
H	N	H2	109.5°	111.0°
H50	C22	H51	109.4°	109.4°
H52	C23	H53	109.5°	109.5°
H59	C20	H60	109.5°	109.5°
C18	OXT	HXT	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C20	C19	H59	120.3°	119.9°
C21	C20	C19	H60	120.2°	120.0°
C20	C21	N	C22	123.6°	120.0°
C20	C21	N	H49	118.6°	120.0°
C20	C21	C22	H49	121.4°	120.0°
C20	C21	C22	C23	170.2°	175.0°
C21	C20	C19	C18	114.7°	180.0°
C21	C20	C19	H9	6.3°	60.0°
C21	C20	C19	H10	124.4°	60.0°
C20	C21	N	H	180.0°	64.0°
C20	C21	C22	H50	69.7°	65.0°
C20	C21	C22	H51	50.2°	55.0°
C21	C20	H59	H60	119.3°	120.0°
C20	C21	N	H2	60.0°	60.0°
C19	C20	C21	N	69.0°	65.0°
C19	C20	C21	C22	50.4°	175.0°
C20	C19	C18	O	20.3°	0.3°
C20	C19	C18	H9	121.0°	120.0°
C20	C19	C18	H10	121.0°	120.0°
C20	C19	H9	H10	117.0°	120.0°
C19	C20	C21	H49	171.7°	55.0°
C19	C20	H59	H60	119.3°	120.0°
C20	C19	C18	OXT	102.3°	180.0°
N	C21	C22	H49	118.6°	120.0°
N	C21	C22	C23	69.8°	65.0°
C21	N	H	H2	120.0°	124.0°
N	C21	C22	H50	50.3°	55.0°
N	C21	C22	H51	170.2°	175.0°
N	C21	C20	H59	51.3°	55.0°
N	C21	C20	H60	170.8°	175.0°
C21	C22	C23	H50	120.0°	120.1°
C21	C22	C23	H51	120.0°	120.0°
C21	C22	C23	C24	173.2°	180.0°
C22	C21	N	H	56.4°	176.0°
C21	C22	H50	H51	120.0°	120.0°
C21	C22	C23	H52	53.2°	60.0°
C21	C22	C23	H53	66.8°	60.0°
C22	C21	C20	H59	170.7°	65.0°
C22	C21	C20	H60	69.8°	55.0°
C22	C21	N	H2	176.4°	60.0°
C28	C29	C24	H54	180.0°	179.9°
C28	C29	C24	C23	179.8°	179.9°
C29	C28	C27	H55	180.0°	179.8°
C28	C29	C24	C25	0.7°	0.2°
C29	C28	C27	C26	0.6°	0.2°
C29	C28	C27	H56	179.4°	179.9°
C29	C24	C23	C22	80.1°	89.8°
C29	C24	C23	C25	179.5°	179.7°
C24	C29	C28	C27	0.8°	0.1°
C29	C24	C25	C26	0.3°	0.5°
C29	C24	C23	H52	39.8°	150.3°
C29	C24	C23	H53	159.9°	30.3°
C24	C29	C28	H55	179.2°	179.9°
C29	C24	C25	H58	179.7°	179.8°
C22	C23	C24	H52	120.0°	120.0°
C22	C23	C24	H53	120.0°	120.0°
C22	C23	C24	C25	99.4°	90.0°
C23	C22	C21	H49	48.9°	55.0°
C23	C22	H50	H51	119.9°	120.0°
C22	C23	H52	H53	120.1°	120.0°
C23	C24	C25	C26	179.8°	179.8°
C24	C23	C22	H50	66.8°	60.0°
C24	C23	C22	H51	53.2°	60.0°
C24	C23	H52	H53	120.0°	120.0°
C23	C24	C29	H54	0.2°	0.0°
C23	C24	C25	H58	0.2°	0.1°
O	C18	C19	OXT	82.0°	179.7°
O	C18	C19	H9	141.3°	120.3°
O	C18	C19	H10	100.6°	119.7°
O	C18	OXT	HXT	90.0°	0.3°
C28	C27	C26	H56	180.0°	179.9°
C28	C27	C26	C25	0.3°	0.1°
C27	C28	C29	H54	179.2°	180.0°
C28	C27	C26	H57	179.7°	180.0°
C24	C25	C26	C27	0.1°	0.4°
C24	C25	C26	H58	180.0°	179.7°
C25	C24	C23	H52	140.7°	30.0°
C25	C24	C23	H53	20.6°	150.0°
C25	C24	C29	H54	179.3°	179.7°
C24	C25	C26	H57	179.9°	179.7°
C18	C19	H9	H10	117.0°	120.0°
C18	C19	C20	H59	125.1°	60.1°
C18	C19	C20	H60	5.6°	60.0°
C19	C18	OXT	HXT	90.0°	180.0°
C27	C26	C25	H57	180.0°	179.9°
C26	C27	C28	H55	179.4°	180.0°
C27	C26	C25	H58	179.9°	179.8°
C25	C26	C27	H56	179.7°	179.8°
H9	C19	C20	H59	114.0°	179.9°
H9	C19	C20	H60	126.5°	60.0°
H9	C19	C18	OXT	136.7°	60.0°
H10	C19	C20	H59	4.1°	59.9°
H10	C19	C20	H60	115.4°	180.0°
H10	C19	C18	OXT	18.7°	60.0°
H	N	C21	H49	61.4°	56.0°
H49	C21	C22	H50	168.9°	175.0°
H49	C21	C22	H51	71.2°	65.0°
H49	C21	C20	H59	68.1°	174.9°
H49	C21	C20	H60	51.5°	65.0°
H49	C21	N	H2	58.7°	180.0°
H50	C22	C23	H52	173.3°	180.0°
H50	C22	C23	H53	53.2°	60.0°
H51	C22	C23	H52	66.8°	60.0°
H51	C22	C23	H53	173.2°	180.0°
H54	C29	C28	H55	0.8°	0.1°
H55	C28	C27	H56	0.6°	0.1°
H56	C27	C26	H57	0.3°	0.1°
H57	C26	C25	H58	0.1°	0.0°

Release date:	2022-03-02
Definition date:	2021-09-03
Last modified:	2022-02-25
Release status:	REL
Processing site:	RCSB
Derived from:	7S18