A1H29

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	C1	sing	1.43Å	1.44Å
C1	C5	sing	1.54Å	1.52Å
C1	C2	sing	1.55Å	1.53Å
N8	C5	sing	1.47Å	1.49Å
C5	O4	sing	1.44Å	1.43Å
N8	C14	sing	1.36Å	1.35Å	Aromatic
C11	N8	sing	1.37Å	1.34Å	Aromatic
C14	N13	doub	1.30Å	1.37Å	Aromatic
N13	C12	sing	1.35Å	1.35Å	Aromatic
C11	N15	doub	1.33Å	1.36Å	Aromatic
C12	C11	sing	1.41Å	1.40Å	Aromatic
N15	C16	sing	1.32Å	1.35Å	Aromatic
C16	N17	doub	1.32Å	1.35Å	Aromatic
N17	C18	sing	1.33Å	1.35Å	Aromatic
N19	C18	sing	1.38Å	1.37Å
C18	C12	doub	1.41Å	1.40Å	Aromatic
O4	C3	sing	1.44Å	1.44Å
C3	C2	sing	1.54Å	1.53Å
C9	C3	sing	1.53Å	1.54Å
C2	O6	sing	1.43Å	1.44Å
S10	C9	sing	1.81Å	1.77Å
C20	S10	sing	1.81Å	1.77Å
C21	C20	sing	1.53Å	1.52Å
C22	C21	sing	1.51Å	1.51Å
C22	C26	doub	1.35Å	1.39Å	Aromatic
N23	C22	sing	1.34Å	1.37Å	Aromatic
C26	N25	sing	1.35Å	1.36Å	Aromatic
N25	N24	sing	1.29Å	1.41Å	Aromatic
N24	N23	doub	1.29Å	1.41Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C14	H4	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C2	H2	sing	1.09Å	1.10Å
C20	H202	sing	1.09Å	1.10Å
C20	H201	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C26	H26	sing	1.08Å	1.08Å
C3	H3	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
N19	H191	sing	0.97Å	1.00Å
N19	H192	sing	0.97Å	1.00Å
O6	HO6	sing	0.97Å	0.95Å
O7	HO7	sing	0.97Å	0.95Å
N25	H6	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O7	C1	C5	112.2°	110.5°
O7	C1	C2	114.1°	110.5°
O7	C1	H1	109.8°	110.6°
C1	O7	HO7	109.5°	114.0°
C5	C1	C2	103.2°	104.1°
C1	C5	N8	112.8°	110.4°
C1	C5	O4	103.9°	104.8°
C5	C1	H1	108.7°	110.5°
C1	C5	H5	108.8°	110.3°
C1	C2	C3	104.4°	104.1°
C1	C2	O6	112.2°	110.5°
C2	C1	H1	108.6°	110.5°
C1	C2	H2	110.1°	110.5°
N8	C5	O4	111.8°	110.4°
C5	N8	C14	127.3°	126.3°
C5	N8	C11	124.3°	126.2°
N8	C5	H5	109.3°	110.4°
C5	O4	C3	108.0°	105.3°
O4	C5	H5	110.1°	110.4°
C14	N8	C11	108.4°	107.5°
N8	C14	N13	108.8°	110.0°
N8	C14	H4	125.6°	125.0°
N8	C11	N15	132.0°	134.9°
N8	C11	C12	108.0°	105.9°
C14	N13	C12	108.0°	109.5°
N13	C14	H4	125.6°	125.0°
N13	C12	C11	106.8°	107.2°
N13	C12	C18	133.7°	134.7°
N15	C11	C12	120.0°	119.1°
C11	N15	C16	118.7°	120.6°
C11	C12	C18	119.5°	118.1°
N15	C16	N17	122.6°	122.5°
N15	C16	H16	118.7°	118.8°
C16	N17	C18	120.8°	121.2°
N17	C16	H16	118.7°	118.7°
N17	C18	N19	119.7°	120.8°
N17	C18	C12	118.4°	118.5°
N19	C18	C12	121.9°	120.7°
C18	N19	H191	109.5°	120.0°
C18	N19	H192	109.5°	120.0°
O4	C3	C2	106.5°	104.8°
O4	C3	C9	110.4°	110.5°
O4	C3	H3	109.4°	110.4°
C2	C3	C9	114.2°	110.4°
C3	C2	O6	108.5°	110.5°
C3	C2	H2	110.0°	110.6°
C2	C3	H3	108.1°	110.4°
C3	C9	S10	111.6°	109.5°
C9	C3	H3	108.1°	110.4°
C3	C9	H91	108.9°	109.5°
C3	C9	H92	109.0°	109.5°
O6	C2	H2	111.4°	110.4°
C2	O6	HO6	109.5°	114.0°
C9	S10	C20	101.4°	103.0°
S10	C9	H91	108.9°	109.5°
S10	C9	H92	108.9°	109.4°
S10	C20	C21	107.3°	109.5°
S10	C20	H202	110.0°	109.4°
S10	C20	H201	110.0°	109.5°
C20	C21	C22	110.9°	109.5°
C21	C20	H202	110.0°	109.5°
C21	C20	H201	110.0°	109.4°
C20	C21	H211	109.1°	109.5°
C20	C21	H212	109.1°	109.5°
C21	C22	C26	124.5°	126.7°
C21	C22	N23	125.8°	126.7°
C22	C21	H211	109.1°	109.4°
C22	C21	H212	109.1°	109.5°
C26	C22	N23	109.6°	106.5°
C22	C26	N25	108.1°	106.1°
C22	C26	H26	126.0°	126.9°
C22	N23	N24	106.7°	108.8°
C26	N25	N24	108.3°	108.3°
N25	C26	H26	126.0°	126.9°
C26	N25	H6	125.8°	125.8°
N25	N24	N23	107.3°	110.2°
N24	N25	H6	125.9°	125.9°
H202	C20	H201	109.5°	109.5°
H211	C21	H212	109.5°	109.5°
H91	C9	H92	109.5°	109.4°
H191	N19	H192	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	C1	C5	C2	123.2°	118.7°
O7	C1	C5	H1	121.6°	122.7°
O7	C1	C2	H1	122.8°	122.7°
O7	C1	C5	N8	80.4°	98.5°
O7	C1	C5	O4	158.4°	142.6°
O7	C1	C2	C3	142.4°	118.6°
O7	C1	C2	O6	25.2°	0.0°
O7	C1	C2	H2	99.5°	122.6°
O7	C1	C5	H5	41.1°	23.8°
C5	C1	C2	H1	115.2°	118.6°
C1	C5	N8	O4	116.7°	115.4°
C1	C5	N8	H5	121.2°	122.3°
C1	C5	O4	H5	116.4°	118.8°
C1	C5	N8	C14	56.8°	94.8°
C1	C5	N8	C11	123.3°	85.0°
C1	C5	O4	C3	37.4°	40.5°
C5	C1	C2	C3	20.4°	0.0°
C5	C1	C2	O6	96.8°	118.7°
C5	C1	C2	H2	138.5°	118.8°
C5	C1	O7	HO7	180.0°	180.0°
C2	C1	C5	N8	156.4°	142.8°
C2	C1	C5	O4	35.2°	24.0°
C1	C2	C3	O4	1.0°	24.0°
C1	C2	C3	O6	119.8°	118.7°
C1	C2	C3	H2	118.1°	118.7°
C1	C2	C3	C9	123.2°	142.9°
C1	C2	O6	H2	124.0°	122.6°
C1	C2	C3	H3	116.5°	94.8°
C2	C1	C5	H5	82.2°	94.9°
C1	C2	O6	HO6	180.0°	61.5°
C2	C1	O7	HO7	63.1°	65.3°
N8	C5	O4	H5	121.7°	122.4°
C5	N8	C14	C11	180.0°	179.8°
C5	N8	C14	N13	179.9°	179.8°
C5	N8	C11	N15	0.1°	0.1°
C5	N8	C11	C12	179.8°	179.8°
N8	C5	O4	C3	159.4°	159.4°
N8	C5	C1	H1	41.2°	24.2°
C5	N8	C14	H4	0.1°	0.3°
O4	C5	N8	C14	59.9°	20.6°
O4	C5	N8	C11	120.1°	159.6°
C5	O4	C3	C2	24.1°	40.5°
C5	O4	C3	C9	148.7°	159.4°
O4	C5	C1	H1	80.0°	94.7°
C5	O4	C3	H3	92.5°	78.3°
N8	C14	N13	H4	180.0°	179.9°
N8	C14	N13	C12	0.1°	0.0°
C14	N8	C11	N15	179.9°	179.7°
C14	N8	C11	C12	0.2°	0.0°
C14	N8	C5	H5	177.9°	143.0°
C11	N8	C14	N13	0.1°	0.0°
N8	C11	C12	N13	0.3°	0.0°
N8	C11	N15	C12	179.7°	179.6°
N8	C11	N15	C16	179.7°	179.9°
N8	C11	C12	C18	179.7°	180.0°
C11	N8	C14	H4	179.9°	179.9°
C11	N8	C5	H5	2.1°	37.3°
C14	N13	C12	C11	0.2°	0.1°
C14	N13	C12	C18	179.8°	179.9°
N13	C12	C11	N15	180.0°	179.8°
N13	C12	C11	C18	180.0°	180.0°
N13	C12	C18	N17	179.8°	180.0°
N13	C12	C18	N19	0.1°	0.1°
C12	N13	C14	H4	179.9°	180.0°
C11	N15	C16	N17	0.3°	0.2°
N15	C11	C12	C18	0.0°	0.2°
C11	N15	C16	H16	179.7°	179.7°
C12	C11	N15	C16	0.0°	0.3°
C11	C12	C18	N17	0.2°	0.0°
C11	C12	C18	N19	179.9°	179.9°
N15	C16	N17	H16	180.0°	179.9°
N15	C16	N17	C18	0.5°	0.1°
C16	N17	C18	N19	179.8°	179.9°
C16	N17	C18	C12	0.5°	0.2°
N17	C18	N19	C12	179.7°	179.9°
C18	N17	C16	H16	179.4°	180.0°
N17	C18	N19	H191	0.0°	180.0°
N17	C18	N19	H192	120.0°	0.1°
C18	N19	H191	H192	120.0°	179.9°
C12	C18	N19	H191	179.7°	0.1°
C12	C18	N19	H192	60.3°	180.0°
O4	C3	C2	C9	122.2°	118.9°
O4	C3	C2	H3	117.5°	118.8°
O4	C3	C9	H3	119.6°	122.3°
O4	C3	C2	O6	120.8°	142.6°
O4	C3	C9	S10	175.0°	69.6°
O4	C3	C2	H2	117.1°	94.7°
C3	O4	C5	H5	79.0°	78.3°
O4	C3	C9	H91	64.7°	170.4°
O4	C3	C9	H92	54.7°	50.4°
C2	C3	C9	H3	120.3°	122.3°
C3	C2	O6	H2	121.3°	122.7°
C2	C3	C9	S10	65.0°	175.0°
C3	C2	C1	H1	94.8°	118.6°
C2	C3	C9	H91	55.3°	55.0°
C2	C3	C9	H92	174.7°	65.0°
C3	C2	O6	HO6	65.2°	176.1°
C9	C3	C2	O6	117.0°	98.4°
C3	C9	S10	H91	120.3°	120.1°
C3	C9	S10	H92	120.3°	120.0°
C3	C9	S10	C20	65.3°	180.0°
C9	C3	C2	H2	5.1°	24.2°
C3	C9	H91	H92	119.0°	120.0°
O6	C2	C1	H1	148.0°	122.7°
O6	C2	C3	H3	3.3°	23.9°
C9	S10	C20	C21	177.6°	180.0°
C9	S10	C20	H202	62.7°	60.1°
C9	S10	C20	H201	57.9°	60.0°
S10	C9	C3	H3	55.4°	52.8°
S10	C9	H91	H92	119.0°	120.0°
S10	C20	C21	H202	119.7°	119.9°
S10	C20	C21	H201	119.7°	120.0°
S10	C20	C21	C22	171.5°	180.0°
S10	C20	H202	H201	121.0°	120.1°
S10	C20	C21	H211	68.3°	60.0°
S10	C20	C21	H212	51.3°	60.0°
C20	S10	C9	H91	174.4°	59.9°
C20	S10	C9	H92	55.0°	60.0°
C20	C21	C22	H211	120.2°	120.0°
C20	C21	C22	H212	120.2°	120.0°
C20	C21	C22	C26	5.1°	125.0°
C20	C21	C22	N23	176.5°	55.3°
C21	C20	H202	H201	121.0°	120.0°
C20	C21	H211	H212	119.4°	120.0°
C21	C22	C26	N23	178.7°	179.7°
C21	C22	C26	N25	179.2°	180.0°
C21	C22	N23	N24	178.7°	179.9°
C22	C21	C20	H202	51.8°	60.0°
C22	C21	C20	H201	68.9°	60.0°
C22	C21	H211	H212	119.3°	120.0°
C21	C22	C26	H26	0.7°	0.1°
C22	C26	N25	H26	180.0°	180.0°
C22	C26	N25	N24	0.9°	0.2°
C26	C22	N23	N24	0.0°	0.2°
C26	C22	C21	H211	125.3°	5.0°
C26	C22	C21	H212	115.2°	115.0°
C22	C26	N25	H6	179.1°	179.9°
N23	C22	C26	N25	0.5°	0.2°
C22	N23	N24	N25	0.5°	0.1°
N23	C22	C21	H211	56.3°	175.3°
N23	C22	C21	H212	63.3°	64.7°
N23	C22	C26	H26	179.4°	179.8°
C26	N25	N24	H6	180.0°	179.7°
C26	N25	N24	N23	0.9°	0.1°
N24	N25	C26	H26	179.1°	179.8°
N23	N24	N25	H6	179.1°	179.8°
H1	C1	C2	H2	23.3°	0.2°
H1	C1	C5	H5	162.7°	146.5°
H1	C1	O7	HO7	59.0°	57.4°
H2	C2	C3	H3	125.4°	146.5°
H2	C2	O6	HO6	56.0°	61.1°
H202	C20	C21	H211	172.0°	59.9°
H202	C20	C21	H212	68.4°	179.9°
H201	C20	C21	H211	51.4°	180.0°
H201	C20	C21	H212	170.9°	60.0°
H26	C26	N25	H6	0.9°	0.1°
H3	C3	C9	H91	175.7°	67.3°
H3	C3	C9	H92	64.9°	172.7°

Release date:	2024-02-14
Definition date:	2024-02-01
Last modified:	2024-02-09
Release status:	REL
Processing site:	PDBE
Derived from:	8RVB