A1B5U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.32Å
O	C	doub	1.21Å	1.24Å
C	C1	sing	1.51Å	1.52Å
C1	C2	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.50Å	1.50Å
C4	O1	doub	1.21Å	1.23Å
N1	C4	sing	1.33Å	1.36Å
C5	N1	sing	1.47Å	1.48Å
C5	C6	sing	1.53Å	1.53Å
C6	C7	sing	1.53Å	1.54Å
C7	C8	sing	1.53Å	1.54Å
C8	C9	sing	1.51Å	1.52Å
C9	C10	sing	1.39Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.37Å	Aromatic
C12	C13	doub	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.39Å	1.40Å	Aromatic
C9	C14	doub	1.38Å	1.40Å	Aromatic
C14	C5	sing	1.51Å	1.51Å
C15	N1	sing	1.46Å	1.47Å
C1	C15	sing	1.53Å	1.54Å
C5	H1	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C8	H12	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	H3	sing	0.97Å	1.00Å
N	H2	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	122.5°	120.0°
N	C	C1	116.4°	120.0°
C	N	H3	120.0°	120.0°
C	N	H2	120.0°	120.0°
O	C	C1	121.0°	120.0°
C	C1	C2	110.4°	109.6°
C	C1	C15	110.9°	109.8°
C	C1	H	109.0°	109.7°
C1	C2	C3	109.9°	108.7°
C2	C1	C15	108.8°	109.0°
C1	C2	H5	109.4°	109.3°
C1	C2	H4	109.4°	109.8°
C2	C1	H	108.9°	109.6°
C2	C3	C4	114.9°	109.9°
C2	C3	H7	108.1°	109.4°
C2	C3	H6	108.1°	109.3°
C3	C2	H5	109.3°	109.7°
C3	C2	H4	109.4°	109.7°
C3	C4	O1	119.3°	118.3°
C3	C4	N1	119.1°	123.5°
C4	C3	H7	108.1°	109.5°
C4	C3	H6	108.1°	109.4°
O1	C4	N1	121.6°	118.2°
C4	N1	C5	117.1°	117.9°
C4	N1	C15	125.0°	124.1°
N1	C5	C6	114.9°	109.3°
N1	C5	C14	112.5°	109.3°
C5	N1	C15	117.9°	117.9°
N1	C5	H1	106.9°	109.3°
C5	C6	C7	109.5°	108.4°
C6	C5	C14	109.0°	110.6°
C6	C5	H1	106.4°	109.2°
C5	C6	H9	109.5°	109.6°
C5	C6	H8	109.5°	109.7°
C6	C7	C8	112.3°	108.4°
C7	C6	H9	109.5°	109.7°
C7	C6	H8	109.5°	109.7°
C6	C7	H11	108.8°	109.7°
C6	C7	H10	108.8°	109.7°
C7	C8	C9	116.8°	110.6°
C8	C7	H11	108.7°	109.7°
C8	C7	H10	108.7°	109.7°
C7	C8	H13	107.6°	109.3°
C7	C8	H12	107.6°	109.3°
C8	C9	C10	119.9°	117.8°
C8	C9	C14	120.9°	122.5°
C9	C8	H13	107.6°	109.2°
C9	C8	H12	107.6°	109.3°
C9	C10	C11	121.1°	120.5°
C10	C9	C14	118.9°	119.7°
C9	C10	H14	119.5°	119.8°
C10	C11	C12	119.9°	119.8°
C11	C10	H14	119.5°	119.7°
C10	C11	H15	120.0°	120.1°
C11	C12	C13	119.8°	119.8°
C11	C12	H16	120.1°	120.1°
C12	C11	H15	120.1°	120.1°
C12	C13	C14	120.9°	120.5°
C12	C13	H17	119.5°	119.8°
C13	C12	H16	120.1°	120.1°
C13	C14	C9	119.3°	119.7°
C13	C14	C5	120.8°	117.7°
C14	C13	H17	119.6°	119.7°
C9	C14	C5	119.8°	122.6°
C14	C5	H1	106.6°	109.2°
N1	C15	C1	112.8°	110.5°
N1	C15	H19	108.6°	109.3°
N1	C15	H18	108.6°	109.3°
C1	C15	H19	108.6°	109.3°
C1	C15	H18	108.6°	109.1°
C15	C1	H	108.8°	109.1°
H9	C6	H8	109.5°	109.8°
H11	C7	H10	109.5°	109.7°
H13	C8	H12	109.5°	109.2°
H19	C15	H18	109.5°	109.3°
H7	C3	H6	109.5°	109.4°
H5	C2	H4	109.5°	109.7°
H3	N	H2	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.5°	180.0°
N	C	C1	C2	122.0°	60.0°
N	C	C1	C15	117.4°	179.7°
N	C	C1	H	2.4°	60.4°
C	N	H3	H2	180.0°	180.0°
O	C	C1	C2	57.6°	120.0°
O	C	C1	C15	63.1°	0.3°
O	C	C1	H	177.2°	119.6°
O	C	N	H3	0.0°	180.0°
O	C	N	H2	180.0°	0.0°
C	C1	C2	C15	121.9°	120.2°
C	C1	C2	H	119.7°	120.5°
C	C1	C2	C3	177.0°	172.7°
C	C1	C15	N1	169.4°	170.5°
C	C1	C15	H	119.9°	120.3°
C	C1	C15	H19	70.1°	69.2°
C	C1	C15	H18	48.9°	50.3°
C	C1	C2	H5	57.0°	67.6°
C	C1	C2	H4	62.9°	52.7°
C1	C	N	H3	179.5°	0.0°
C1	C	N	H2	0.5°	180.0°
C1	C2	C3	H5	120.1°	119.4°
C1	C2	C3	H4	120.1°	120.1°
C1	C2	C3	C4	46.4°	48.6°
C2	C1	C15	N1	47.9°	50.4°
C2	C1	C15	H	118.5°	119.6°
C2	C1	C15	H19	168.3°	170.8°
C2	C1	C15	H18	72.7°	69.8°
C1	C2	C3	H7	74.4°	168.8°
C1	C2	C3	H6	167.2°	71.5°
C1	C2	H5	H4	119.8°	120.5°
C2	C3	C4	H7	120.8°	120.2°
C2	C3	C4	H6	120.8°	120.0°
C2	C3	C4	O1	161.4°	162.4°
C2	C3	C4	N1	17.6°	17.5°
C3	C2	C1	C15	61.1°	67.0°
C2	C3	H7	H6	117.5°	119.7°
C3	C2	H5	H4	119.8°	120.5°
C3	C2	C1	H	57.3°	52.3°
C3	C4	O1	N1	179.0°	180.0°
C3	C4	N1	C5	178.2°	177.8°
C3	C4	N1	C15	4.3°	2.5°
C4	C3	H7	H6	117.5°	119.8°
C4	C3	C2	H5	166.5°	70.9°
C4	C3	C2	H4	73.7°	168.6°
O1	C4	N1	C5	2.8°	2.3°
O1	C4	N1	C15	174.7°	177.5°
O1	C4	C3	H7	77.8°	42.2°
O1	C4	C3	H6	40.6°	77.6°
C4	N1	C5	C15	177.7°	179.8°
C4	N1	C5	C6	137.6°	60.0°
C4	N1	C5	C14	96.9°	61.1°
C4	N1	C15	C1	20.2°	19.0°
C4	N1	C5	H1	19.8°	179.4°
C4	N1	C15	H19	140.7°	139.3°
C4	N1	C15	H18	100.3°	101.0°
N1	C4	C3	H7	103.2°	137.7°
N1	C4	C3	H6	138.4°	102.5°
N1	C5	C6	C14	127.3°	120.3°
N1	C5	C6	H1	118.1°	119.5°
N1	C5	C6	C7	170.8°	171.4°
N1	C5	C14	C13	12.4°	42.2°
N1	C5	C14	C9	171.5°	138.0°
N1	C5	C14	H1	116.9°	119.5°
C5	N1	C15	C1	162.3°	161.2°
N1	C5	C6	H9	50.8°	68.9°
N1	C5	C6	H8	69.3°	51.7°
C5	N1	C15	H19	41.8°	40.9°
C5	N1	C15	H18	77.2°	78.7°
C5	C6	C7	H9	120.0°	119.7°
C5	C6	C7	H8	120.0°	119.7°
C5	C6	C7	C8	55.5°	69.9°
C6	C5	C14	C13	141.1°	162.5°
C6	C5	C14	C9	42.8°	17.7°
C6	C5	C14	H1	114.4°	120.2°
C6	C5	N1	C15	40.1°	120.2°
C5	C6	H9	H8	120.0°	120.5°
C5	C6	C7	H11	64.9°	49.9°
C5	C6	C7	H10	175.9°	170.4°
C6	C7	C8	H11	120.4°	119.7°
C6	C7	C8	H10	120.4°	119.7°
C6	C7	C8	C9	27.8°	51.1°
C7	C6	C5	C14	61.9°	51.1°
C7	C6	C5	H1	52.6°	69.1°
C7	C6	H9	H8	120.0°	120.6°
C6	C7	H11	H10	118.7°	120.5°
C6	C7	C8	H13	148.8°	171.4°
C6	C7	C8	H12	93.3°	69.3°
C7	C8	C9	H13	121.0°	120.3°
C7	C8	C9	H12	121.1°	120.3°
C7	C8	C9	C10	179.5°	162.5°
C7	C8	C9	C14	7.5°	17.6°
C8	C7	C6	H9	175.5°	170.5°
C8	C7	C6	H8	64.5°	49.8°
C8	C7	H11	H10	118.7°	120.6°
C7	C8	H13	H12	116.7°	119.4°
C8	C9	C10	C14	173.2°	179.9°
C8	C9	C10	C11	167.5°	179.7°
C8	C9	C14	C13	168.3°	179.7°
C8	C9	C14	C5	15.6°	0.5°
C9	C8	C7	H11	92.6°	68.6°
C9	C8	C7	H10	148.2°	170.8°
C9	C8	H13	H12	116.7°	119.4°
C8	C9	C10	H14	12.5°	0.2°
C9	C10	C11	H14	180.0°	180.0°
C9	C10	C11	C12	2.4°	0.0°
C10	C9	C14	C13	4.8°	0.2°
C10	C9	C14	C5	171.3°	179.6°
C10	C9	C8	H13	58.4°	42.1°
C10	C9	C8	H12	59.5°	77.2°
C9	C10	C11	H15	177.6°	180.0°
C10	C11	C12	H15	180.0°	180.0°
C10	C11	C12	C13	1.7°	0.2°
C11	C10	C9	C14	5.7°	0.2°
C10	C11	C12	H16	178.3°	179.9°
C11	C12	C13	H16	180.0°	180.0°
C11	C12	C13	C14	2.5°	0.1°
C12	C11	C10	H14	177.6°	180.0°
C11	C12	C13	H17	177.5°	180.0°
C12	C13	C14	H17	180.0°	179.9°
C12	C13	C14	C9	0.8°	0.1°
C12	C13	C14	C5	175.3°	179.7°
C13	C12	C11	H15	178.2°	179.8°
C13	C14	C9	C5	176.1°	179.8°
C13	C14	C5	H1	104.5°	77.3°
C14	C13	C12	H16	177.5°	179.9°
C9	C14	C5	H1	71.6°	102.5°
C14	C9	C8	H13	128.6°	137.9°
C14	C9	C8	H12	113.6°	102.7°
C14	C9	C10	H14	174.3°	179.8°
C9	C14	C13	H17	179.1°	179.8°
C14	C5	N1	C15	85.4°	118.6°
C14	C5	C6	H9	178.1°	170.8°
C14	C5	C6	H8	58.1°	68.6°
C5	C14	C13	H17	4.8°	0.3°
N1	C15	C1	H19	120.5°	120.3°
N1	C15	C1	H18	120.5°	120.2°
C15	N1	C5	H1	157.9°	0.8°
N1	C15	H19	H18	118.5°	119.6°
N1	C15	C1	H	70.7°	69.2°
C1	C15	H19	H18	118.4°	119.3°
C15	C1	C2	H5	178.8°	52.6°
C15	C1	C2	H4	59.0°	173.0°
H1	C5	C6	H9	67.4°	50.6°
H1	C5	C6	H8	172.6°	171.1°
H9	C6	C7	H11	55.0°	69.8°
H9	C6	C7	H10	64.1°	50.7°
H8	C6	C7	H11	175.1°	169.6°
H8	C6	C7	H10	55.9°	69.9°
H11	C7	C8	H13	28.4°	51.6°
H11	C7	C8	H12	146.3°	171.0°
H10	C7	C8	H13	90.7°	68.9°
H10	C7	C8	H12	27.2°	50.5°
H14	C10	C11	H15	2.4°	0.0°
H17	C13	C12	H16	2.5°	0.0°
H19	C15	C1	H	49.8°	51.1°
H18	C15	C1	H	168.8°	170.6°
H7	C3	C2	H5	45.7°	49.4°
H7	C3	C2	H4	165.5°	71.1°
H6	C3	C2	H5	72.7°	169.1°
H6	C3	C2	H4	47.1°	48.6°
H5	C2	C1	H	62.7°	171.9°
H4	C2	C1	H	177.4°	67.7°
H16	C12	C11	H15	1.8°	0.1°

Release date:	2025-04-02
Definition date:	2025-03-24
Last modified:	2025-03-28
Release status:	REL
Processing site:	RCSB
Derived from:	7I7C