A1B5G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.33Å
O	C	doub	1.21Å	1.24Å
C	C1	sing	1.51Å	1.52Å
C1	C2	sing	1.54Å	1.54Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.50Å	1.51Å
C4	O1	doub	1.21Å	1.22Å
N1	C4	sing	1.33Å	1.36Å
C5	N1	sing	1.47Å	1.47Å
C5	C6	sing	1.53Å	1.53Å
C6	C7	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.53Å
C8	C9	sing	1.51Å	1.51Å
C9	C10	sing	1.39Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.39Å	1.39Å	Aromatic
C9	C14	doub	1.38Å	1.40Å	Aromatic
C14	C5	sing	1.51Å	1.52Å
C15	N1	sing	1.46Å	1.47Å
C1	C15	sing	1.53Å	1.54Å
C5	H1	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.08Å	1.08Å
C13	H17	sing	1.08Å	1.08Å
C15	H19	sing	1.09Å	1.10Å
C15	H18	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
N	H2	sing	0.97Å	1.00Å
N	H3	sing	0.97Å	1.00Å
C12	H16	sing	1.08Å	1.08Å
C11	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	122.2°	120.0°
N	C	C1	116.8°	120.0°
C	N	H2	120.0°	120.0°
C	N	H3	120.0°	120.0°
O	C	C1	120.9°	120.0°
C	C1	C2	111.6°	109.6°
C	C1	C15	111.2°	109.4°
C	C1	H	107.8°	109.7°
C1	C2	C3	112.4°	108.1°
C2	C1	C15	110.8°	108.4°
C1	C2	H5	108.7°	109.6°
C1	C2	H4	108.7°	110.1°
C2	C1	H	107.6°	109.6°
C2	C3	C4	116.4°	109.9°
C2	C3	H7	107.7°	109.4°
C2	C3	H6	107.7°	109.3°
C3	C2	H5	108.7°	109.6°
C3	C2	H4	108.7°	109.6°
C3	C4	O1	119.1°	118.2°
C3	C4	N1	118.7°	123.5°
C4	C3	H7	107.7°	109.4°
C4	C3	H6	107.7°	109.4°
O1	C4	N1	122.2°	118.3°
C4	N1	C5	118.8°	117.9°
C4	N1	C15	125.9°	124.1°
N1	C5	C6	114.5°	109.2°
N1	C5	C14	113.7°	109.3°
C5	N1	C15	115.4°	118.0°
N1	C5	H1	106.3°	109.3°
C5	C6	C7	110.1°	108.4°
C6	C5	C14	110.1°	110.6°
C6	C5	H1	105.6°	109.3°
C5	C6	H8	109.3°	109.7°
C5	C6	H9	109.3°	109.7°
C6	C7	C8	110.6°	108.4°
C7	C6	H8	109.3°	109.7°
C7	C6	H9	109.3°	109.7°
C6	C7	H10	109.2°	109.7°
C6	C7	H11	109.2°	109.7°
C7	C8	C9	113.7°	110.6°
C8	C7	H10	109.2°	109.7°
C8	C7	H11	109.2°	109.6°
C7	C8	H12	108.4°	109.3°
C7	C8	H13	108.4°	109.2°
C8	C9	C10	119.6°	117.8°
C8	C9	C14	121.4°	122.6°
C9	C8	H12	108.4°	109.2°
C9	C8	H13	108.4°	109.2°
C9	C10	C11	120.9°	120.5°
C10	C9	C14	118.9°	119.7°
C9	C10	H14	119.6°	119.7°
C10	C11	C12	120.0°	119.8°
C11	C10	H14	119.6°	119.8°
C10	C11	H15	120.0°	120.1°
C11	C12	C13	119.8°	119.7°
C11	C12	H16	120.1°	120.2°
C12	C11	H15	120.0°	120.1°
C12	C13	C14	120.8°	120.5°
C12	C13	H17	119.6°	119.7°
C13	C12	H16	120.1°	120.1°
C13	C14	C9	119.2°	119.7°
C13	C14	C5	119.3°	117.7°
C14	C13	H17	119.6°	119.7°
C9	C14	C5	121.0°	122.6°
C14	C5	H1	105.8°	109.2°
N1	C15	C1	114.0°	110.5°
N1	C15	H19	108.3°	109.3°
N1	C15	H18	108.3°	109.3°
C1	C15	H19	108.3°	109.3°
C1	C15	H18	108.3°	109.1°
C15	C1	H	107.6°	110.1°
H8	C6	H9	109.5°	109.7°
H10	C7	H11	109.5°	109.7°
H12	C8	H13	109.5°	109.3°
H19	C15	H18	109.5°	109.3°
H7	C3	H6	109.4°	109.4°
H5	C2	H4	109.5°	109.7°
H2	N	H3	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.7°	180.0°
N	C	C1	C2	32.7°	60.0°
N	C	C1	C15	91.6°	178.7°
N	C	C1	H	150.6°	60.4°
C	N	H2	H3	180.0°	179.9°
O	C	C1	C2	147.1°	120.0°
O	C	C1	C15	88.6°	1.3°
O	C	C1	H	29.1°	119.6°
O	C	N	H2	0.0°	179.9°
O	C	N	H3	180.0°	0.0°
C	C1	C2	C15	124.5°	119.3°
C	C1	C2	H	118.1°	120.5°
C	C1	C2	C3	178.7°	172.7°
C	C1	C15	N1	165.2°	170.5°
C	C1	C15	H	117.8°	120.7°
C	C1	C15	H19	44.5°	50.2°
C	C1	C15	H18	74.2°	69.3°
C	C1	C2	H5	58.2°	53.2°
C	C1	C2	H4	60.9°	67.5°
C1	C	N	H2	179.7°	0.0°
C1	C	N	H3	0.3°	180.0°
C1	C2	C3	H5	120.4°	119.5°
C1	C2	C3	H4	120.4°	120.0°
C1	C2	C3	C4	36.6°	49.2°
C2	C1	C15	N1	40.4°	51.1°
C2	C1	C15	H	117.4°	119.9°
C2	C1	C15	H19	80.2°	69.2°
C2	C1	C15	H18	161.1°	171.3°
C1	C2	C3	H7	157.6°	71.0°
C1	C2	C3	H6	84.5°	169.3°
C1	C2	H5	H4	118.7°	121.0°
C2	C3	C4	H7	121.0°	120.1°
C2	C3	C4	H6	121.0°	120.0°
C2	C3	C4	O1	175.4°	162.4°
C2	C3	C4	N1	4.1°	17.6°
C3	C2	C1	C15	54.1°	68.0°
C2	C3	H7	H6	116.8°	119.7°
C3	C2	H5	H4	118.6°	120.4°
C3	C2	C1	H	63.3°	52.2°
C3	C4	O1	N1	179.5°	180.0°
C3	C4	N1	C5	167.4°	177.8°
C3	C4	N1	C15	10.8°	2.0°
C4	C3	H7	H6	116.9°	119.9°
C4	C3	C2	H5	83.9°	168.7°
C4	C3	C2	H4	157.0°	70.9°
O1	C4	N1	C5	12.1°	2.2°
O1	C4	N1	C15	169.8°	178.0°
O1	C4	C3	H7	54.3°	77.4°
O1	C4	C3	H6	63.6°	42.4°
C4	N1	C5	C15	178.4°	179.8°
C4	N1	C5	C6	69.5°	60.0°
C4	N1	C5	C14	58.3°	61.1°
C4	N1	C15	C1	8.4°	19.1°
C4	N1	C5	H1	174.3°	179.5°
C4	N1	C15	H19	112.3°	101.2°
C4	N1	C15	H18	129.1°	139.2°
N1	C4	C3	H7	125.1°	102.5°
N1	C4	C3	H6	116.9°	137.6°
N1	C5	C6	C14	129.6°	120.3°
N1	C5	C6	H1	116.6°	119.5°
N1	C5	C6	C7	174.8°	171.4°
N1	C5	C14	C13	24.8°	42.2°
N1	C5	C14	C9	162.8°	138.0°
N1	C5	C14	H1	116.3°	119.5°
C5	N1	C15	C1	173.3°	160.6°
N1	C5	C6	H8	65.1°	51.7°
N1	C5	C6	H9	54.7°	68.9°
C5	N1	C15	H19	66.0°	79.0°
C5	N1	C15	H18	52.7°	40.6°
C5	C6	C7	H8	120.1°	119.8°
C5	C6	C7	H9	120.1°	119.7°
C5	C6	C7	C8	62.4°	69.9°
C6	C5	C14	C13	154.8°	162.5°
C6	C5	C14	C9	32.8°	17.7°
C6	C5	C14	H1	113.7°	120.3°
C6	C5	N1	C15	112.1°	119.8°
C5	C6	H8	H9	119.7°	120.5°
C5	C6	C7	H10	177.4°	170.4°
C5	C6	C7	H11	57.8°	49.8°
C6	C7	C8	H10	120.2°	119.8°
C6	C7	C8	H11	120.2°	119.7°
C6	C7	C8	C9	43.2°	51.1°
C7	C6	C5	C14	55.5°	51.1°
C7	C6	C5	H1	58.2°	69.1°
C7	C6	H8	H9	119.7°	120.5°
C6	C7	H10	H11	119.4°	120.6°
C6	C7	C8	H12	77.4°	69.2°
C6	C7	C8	H13	163.8°	171.3°
C7	C8	C9	H12	120.6°	120.3°
C7	C8	C9	H13	120.6°	120.2°
C7	C8	C9	C10	162.6°	162.5°
C7	C8	C9	C14	20.3°	17.6°
C8	C7	C6	H8	57.7°	49.9°
C8	C7	C6	H9	177.5°	170.4°
C8	C7	H10	H11	119.5°	120.5°
C7	C8	H12	H13	118.0°	119.5°
C8	C9	C10	C14	177.2°	179.9°
C8	C9	C10	C11	175.7°	179.7°
C8	C9	C14	C13	172.1°	179.6°
C8	C9	C14	C5	15.6°	0.6°
C9	C8	C7	H10	163.4°	170.8°
C9	C8	C7	H11	77.0°	68.7°
C9	C8	H12	H13	118.1°	119.4°
C8	C9	C10	H14	4.3°	0.2°
C9	C10	C11	H14	180.0°	179.9°
C9	C10	C11	C12	3.1°	0.0°
C10	C9	C14	C13	5.0°	0.2°
C10	C9	C14	C5	167.3°	179.5°
C10	C9	C8	H12	76.8°	77.2°
C10	C9	C8	H13	42.0°	42.3°
C9	C10	C11	H15	176.9°	180.0°
C10	C11	C12	H15	180.0°	180.0°
C10	C11	C12	C13	3.9°	0.1°
C11	C10	C9	C14	1.4°	0.2°
C10	C11	C12	H16	176.1°	179.9°
C11	C12	C13	H16	180.0°	179.9°
C11	C12	C13	C14	0.2°	0.0°
C12	C11	C10	H14	176.9°	180.0°
C11	C12	C13	H17	179.8°	179.9°
C12	C13	C14	H17	180.0°	179.9°
C12	C13	C14	C9	4.3°	0.1°
C12	C13	C14	C5	168.2°	179.7°
C13	C12	C11	H15	176.1°	179.9°
C13	C14	C9	C5	172.4°	179.8°
C13	C14	C5	H1	91.5°	77.2°
C14	C13	C12	H16	179.8°	179.9°
C9	C14	C5	H1	80.9°	102.5°
C14	C9	C8	H12	100.3°	102.7°
C14	C9	C8	H13	141.0°	137.9°
C14	C9	C10	H14	178.6°	179.9°
C9	C14	C13	H17	175.7°	179.9°
C14	C5	N1	C15	120.0°	119.1°
C14	C5	C6	H8	64.5°	68.6°
C14	C5	C6	H9	175.7°	170.8°
C5	C14	C13	H17	11.7°	0.3°
N1	C15	C1	H19	120.7°	120.4°
N1	C15	C1	H18	120.6°	120.1°
C15	N1	C5	H1	4.1°	0.3°
N1	C15	H19	H18	117.9°	119.6°
N1	C15	C1	H	77.0°	68.8°
C1	C15	H19	H18	117.9°	119.3°
C15	C1	C2	H5	66.3°	172.5°
C15	C1	C2	H4	174.6°	51.8°
H1	C5	C6	H8	178.3°	171.2°
H1	C5	C6	H9	61.9°	50.6°
H8	C6	C7	H10	62.5°	69.9°
H8	C6	C7	H11	177.8°	169.5°
H9	C6	C7	H10	57.3°	50.6°
H9	C6	C7	H11	62.4°	69.9°
H10	C7	C8	H12	42.7°	50.6°
H10	C7	C8	H13	76.0°	68.9°
H11	C7	C8	H12	162.4°	171.1°
H11	C7	C8	H13	43.7°	51.6°
H14	C10	C11	H15	3.1°	0.1°
H17	C13	C12	H16	0.3°	0.1°
H19	C15	C1	H	162.4°	170.8°
H18	C15	C1	H	43.7°	51.4°
H7	C3	C2	H5	37.1°	48.5°
H7	C3	C2	H4	82.0°	169.0°
H6	C3	C2	H5	155.1°	71.3°
H6	C3	C2	H4	36.0°	49.2°
H5	C2	C1	H	176.3°	67.3°
H4	C2	C1	H	57.2°	172.0°
H16	C12	C11	H15	3.9°	0.2°

Release date:	2025-04-02
Definition date:	2025-03-24
Last modified:	2025-03-28
Release status:	REL
Processing site:	RCSB
Derived from:	7I6V