A1BSE

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	1.23Å
C	C1	sing	1.51Å	1.52Å
C1	C2	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.54Å
C3	C4	sing	1.53Å	1.52Å
C4	N1	sing	1.47Å	1.47Å
N1	C5	sing	1.35Å	1.35Å
C5	O1	doub	1.21Å	1.22Å
C6	C5	sing	1.51Å	1.52Å
C7	C6	sing	1.51Å	1.51Å
C7	C8	doub	1.38Å	1.40Å	Aromatic
C8	C9	sing	1.38Å	1.39Å	Aromatic
C9	C10	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C11	C12	doub	1.39Å	1.37Å	Aromatic
C12	C7	sing	1.39Å	1.39Å	Aromatic
O2	C12	sing	1.37Å	1.38Å
C13	O2	sing	1.44Å	1.43Å
O3	C13	sing	1.44Å	1.43Å
C11	O3	sing	1.37Å	1.38Å
C14	N1	sing	1.47Å	1.47Å
C1	C14	sing	1.54Å	1.53Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C8	H11	sing	1.08Å	1.08Å
C10	H13	sing	1.08Å	1.08Å
C13	H15	sing	1.09Å	1.10Å
C13	H14	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C14	H17	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
N	H1	sing	0.97Å	1.00Å
N	H2	sing	0.97Å	1.00Å
C9	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	122.8°	120.0°
N	C	C1	115.8°	119.9°
C	N	H1	120.0°	120.0°
C	N	H2	120.0°	119.9°
O	C	C1	121.3°	120.0°
C	C1	C2	111.0°	109.5°
C	C1	C14	114.1°	109.5°
C	C1	H	107.3°	109.5°
C1	C2	C3	112.4°	109.5°
C2	C1	C14	110.0°	109.2°
C1	C2	H4	108.7°	109.5°
C1	C2	H3	108.7°	109.5°
C2	C1	H	107.0°	109.5°
C2	C3	C4	110.9°	109.3°
C2	C3	H6	109.1°	109.5°
C2	C3	H5	109.1°	109.5°
C3	C2	H4	108.7°	109.5°
C3	C2	H3	108.7°	109.5°
C3	C4	N1	110.1°	108.8°
C3	C4	H7	109.3°	109.6°
C3	C4	H8	109.3°	109.7°
C4	C3	H6	109.1°	109.5°
C4	C3	H5	109.1°	109.5°
C4	N1	C5	124.5°	120.6°
C4	N1	C14	112.7°	118.8°
N1	C4	H7	109.3°	109.6°
N1	C4	H8	109.3°	109.6°
N1	C5	O1	122.2°	120.0°
N1	C5	C6	116.1°	120.0°
C5	N1	C14	122.7°	120.6°
O1	C5	C6	121.7°	120.0°
C5	C6	C7	112.4°	109.5°
C5	C6	H10	108.7°	109.5°
C5	C6	H9	108.7°	109.4°
C6	C7	C8	121.2°	120.0°
C6	C7	C12	120.9°	120.0°
C7	C6	H10	108.7°	109.5°
C7	C6	H9	108.8°	109.5°
C7	C8	C9	120.9°	120.2°
C8	C7	C12	117.9°	120.0°
C7	C8	H11	119.5°	120.0°
C8	C9	C10	120.4°	120.2°
C9	C8	H11	119.5°	119.9°
C8	C9	H12	119.8°	119.9°
C9	C10	C11	118.4°	120.0°
C9	C10	H13	120.8°	120.0°
C10	C9	H12	119.8°	119.9°
C10	C11	C12	121.4°	119.8°
C10	C11	O3	129.2°	131.5°
C11	C10	H13	120.8°	120.0°
C11	C12	C7	120.9°	119.8°
C11	C12	O2	110.3°	108.7°
C12	C11	O3	109.4°	108.6°
C7	C12	O2	127.9°	131.5°
C12	O2	C13	104.8°	105.5°
O2	C13	O3	108.0°	103.8°
O2	C13	H15	109.9°	110.6°
O2	C13	H14	109.8°	110.5°
C13	O3	C11	104.8°	105.6°
O3	C13	H15	109.8°	110.7°
O3	C13	H14	109.8°	110.6°
N1	C14	C1	108.9°	108.5°
N1	C14	H17	109.6°	109.6°
N1	C14	H16	109.6°	109.6°
C1	C14	H17	109.6°	109.6°
C1	C14	H16	109.6°	109.8°
C14	C1	H	107.1°	109.7°
H7	C4	H8	109.5°	109.6°
H10	C6	H9	109.5°	109.5°
H15	C13	H14	109.5°	110.5°
H6	C3	H5	109.5°	109.5°
H4	C2	H3	109.5°	109.4°
H17	C14	H16	109.5°	109.6°
H1	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	175.8°	180.0°
N	C	C1	C2	103.0°	180.0°
N	C	C1	C14	132.1°	60.3°
N	C	C1	H	13.7°	60.0°
C	N	H1	H2	180.0°	180.0°
O	C	C1	C2	73.1°	0.0°
O	C	C1	C14	51.8°	119.7°
O	C	C1	H	170.3°	120.0°
O	C	N	H1	0.0°	180.0°
O	C	N	H2	180.0°	0.0°
C	C1	C2	C14	127.2°	119.8°
C	C1	C2	H	116.8°	120.1°
C	C1	C2	C3	179.2°	178.6°
C	C1	C14	N1	177.8°	174.7°
C	C1	C14	H	118.6°	120.2°
C	C1	C2	H4	60.3°	61.3°
C	C1	C2	H3	58.8°	58.6°
C	C1	C14	H17	57.9°	65.6°
C	C1	C14	H16	62.3°	54.9°
C1	C	N	H1	176.0°	0.0°
C1	C	N	H2	4.0°	180.0°
C1	C2	C3	H4	120.4°	120.0°
C1	C2	C3	H3	120.4°	120.0°
C1	C2	C3	C4	50.5°	61.4°
C2	C1	C14	N1	56.8°	54.9°
C2	C1	C14	H	116.0°	120.0°
C1	C2	C3	H6	69.7°	178.7°
C1	C2	C3	H5	170.7°	58.6°
C1	C2	H4	H3	118.7°	119.9°
C2	C1	C14	H17	176.6°	174.6°
C2	C1	C14	H16	63.2°	65.0°
C2	C3	C4	H6	120.2°	119.9°
C2	C3	C4	H5	120.2°	120.0°
C2	C3	C4	N1	53.6°	54.6°
C3	C2	C1	C14	52.0°	61.5°
C2	C3	C4	H7	173.7°	65.1°
C2	C3	C4	H8	66.5°	174.5°
C2	C3	H6	H5	119.4°	120.1°
C3	C2	H4	H3	118.7°	120.0°
C3	C2	C1	H	64.0°	58.6°
C3	C4	N1	H7	120.1°	119.8°
C3	C4	N1	H8	120.1°	119.9°
C3	C4	N1	C5	114.2°	126.4°
C3	C4	N1	C14	61.7°	53.9°
C3	C4	H7	H8	119.7°	120.5°
C4	C3	H6	H5	119.3°	120.1°
C4	C3	C2	H4	171.0°	58.6°
C4	C3	C2	H3	69.9°	178.6°
C4	N1	C5	C14	175.5°	179.7°
C4	N1	C5	O1	176.1°	180.0°
C4	N1	C5	C6	4.2°	0.0°
C4	N1	C14	C1	63.1°	53.9°
N1	C4	H7	H8	119.7°	120.3°
N1	C4	C3	H6	66.6°	174.6°
N1	C4	C3	H5	173.8°	65.3°
C4	N1	C14	H17	177.0°	173.6°
C4	N1	C14	H16	56.8°	66.0°
N1	C5	O1	C6	179.7°	180.0°
N1	C5	C6	C7	171.1°	180.0°
C5	N1	C14	C1	112.8°	126.4°
C5	N1	C4	H7	5.9°	113.8°
C5	N1	C4	H8	125.7°	6.5°
N1	C5	C6	H10	50.7°	60.0°
N1	C5	C6	H9	68.5°	60.0°
C5	N1	C14	H17	7.1°	6.7°
C5	N1	C14	H16	127.2°	113.7°
O1	C5	C6	C7	9.2°	0.0°
O1	C5	N1	C14	0.6°	0.3°
O1	C5	C6	H10	129.6°	120.0°
O1	C5	C6	H9	111.2°	120.0°
C5	C6	C7	H10	120.4°	120.0°
C5	C6	C7	H9	120.4°	120.0°
C5	C6	C7	C8	118.4°	95.0°
C5	C6	C7	C12	63.0°	84.7°
C6	C5	N1	C14	179.7°	179.7°
C5	C6	H10	H9	118.7°	120.0°
C6	C7	C8	C12	178.7°	179.7°
C6	C7	C8	C9	179.9°	180.0°
C6	C7	C12	C11	178.8°	180.0°
C6	C7	C12	O2	10.8°	0.0°
C7	C6	H10	H9	118.7°	120.0°
C6	C7	C8	H11	0.1°	0.0°
C7	C8	C9	H11	180.0°	180.0°
C7	C8	C9	C10	1.3°	0.1°
C8	C7	C12	C11	0.1°	0.3°
C8	C7	C12	O2	167.9°	179.7°
C8	C7	C6	H10	121.2°	145.0°
C8	C7	C6	H9	2.1°	25.0°
C7	C8	C9	H12	178.6°	180.0°
C8	C9	C10	H12	180.0°	179.9°
C8	C9	C10	C11	0.4°	0.3°
C9	C8	C7	C12	1.2°	0.2°
C8	C9	C10	H13	179.6°	180.0°
C9	C10	C11	H13	180.0°	179.7°
C9	C10	C11	C12	0.7°	0.3°
C9	C10	C11	O3	178.2°	179.9°
C10	C9	C8	H11	178.6°	180.0°
C10	C11	C12	O3	178.0°	179.8°
C10	C11	C12	C7	0.8°	0.0°
C10	C11	C12	O2	170.7°	180.0°
C10	C11	O3	C13	165.7°	162.8°
C11	C10	C9	H12	179.6°	179.8°
C11	C12	C7	O2	168.0°	180.0°
C11	C12	O2	C13	0.9°	17.3°
C12	C11	O3	C13	16.6°	17.0°
C12	C11	C10	H13	179.4°	180.0°
C7	C12	O2	C13	169.9°	162.7°
C7	C12	C11	O3	178.8°	179.8°
C12	C7	C6	H10	57.4°	35.3°
C12	C7	C6	H9	176.6°	155.3°
C12	C7	C8	H11	178.8°	179.7°
C12	O2	C13	O3	9.3°	27.0°
O2	C12	C11	O3	11.3°	0.2°
C12	O2	C13	H15	129.1°	145.7°
C12	O2	C13	H14	110.4°	91.6°
O2	C13	O3	H15	119.8°	118.6°
O2	C13	O3	H14	119.8°	118.5°
O2	C13	O3	C11	15.9°	26.8°
O2	C13	H15	H14	120.7°	122.7°
O3	C13	H15	H14	120.7°	122.8°
O3	C11	C10	H13	1.8°	0.3°
C11	O3	C13	H15	135.7°	145.5°
C11	O3	C13	H14	103.9°	91.7°
N1	C14	C1	H17	119.9°	119.7°
N1	C14	C1	H16	119.9°	119.8°
C14	N1	C4	H7	178.2°	65.9°
C14	N1	C4	H8	58.4°	173.8°
N1	C14	H17	H16	120.3°	120.4°
N1	C14	C1	H	59.2°	65.1°
C14	C1	C2	H4	172.5°	58.6°
C14	C1	C2	H3	68.4°	178.5°
C1	C14	H17	H16	120.3°	120.6°
H7	C4	C3	H6	53.5°	54.8°
H7	C4	C3	H5	66.0°	174.9°
H8	C4	C3	H6	173.3°	65.6°
H8	C4	C3	H5	53.7°	54.5°
H11	C8	C9	H12	1.4°	0.1°
H13	C10	C9	H12	0.4°	0.1°
H6	C3	C2	H4	50.8°	61.2°
H6	C3	C2	H3	169.9°	58.7°
H5	C3	C2	H4	68.8°	178.6°
H5	C3	C2	H3	50.3°	61.4°
H4	C2	C1	H	56.4°	178.7°
H3	C2	C1	H	175.6°	61.4°
H17	C14	C1	H	60.7°	54.6°
H16	C14	C1	H	179.1°	175.1°

Release date:	2025-02-26
Definition date:	2025-01-14
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HYH