A1BSG

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	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.50Å	1.51Å
C4	O1	doub	1.21Å	1.23Å
N1	C4	sing	1.33Å	1.36Å
C5	N1	sing	1.46Å	1.46Å
C6	C5	sing	1.51Å	1.51Å
C6	C7	doub	1.38Å	1.40Å	Aromatic
C7	C8	sing	1.38Å	1.39Å	Aromatic
C8	C9	doub	1.38Å	1.38Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.39Å	1.38Å	Aromatic
C11	C6	sing	1.39Å	1.40Å	Aromatic
O2	C11	sing	1.36Å	1.38Å
C12	O2	sing	1.44Å	1.47Å
C13	C12	sing	1.55Å	1.54Å
C10	C13	sing	1.52Å	1.51Å
C14	N1	sing	1.46Å	1.47Å
C1	C14	sing	1.53Å	1.53Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C13	H14	sing	1.09Å	1.10Å
C13	H15	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
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C9	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	122.9°	120.0°
N	C	C1	115.8°	120.0°
C	N	H1	120.0°	120.0°
C	N	H2	120.0°	120.0°
O	C	C1	121.2°	120.0°
C	C1	C2	112.3°	109.6°
C	C1	C14	110.8°	109.5°
C	C1	H	107.9°	109.7°
C1	C2	C3	110.9°	108.4°
C2	C1	C14	110.0°	108.6°
C1	C2	H4	109.1°	109.7°
C1	C2	H3	109.1°	109.7°
C2	C1	H	107.8°	109.6°
C2	C3	C4	116.3°	109.9°
C2	C3	H6	107.7°	109.4°
C2	C3	H5	107.7°	109.3°
C3	C2	H4	109.1°	109.7°
C3	C2	H3	109.1°	109.7°
C3	C4	O1	120.2°	118.3°
C3	C4	N1	117.3°	123.5°
C4	C3	H6	107.7°	109.4°
C4	C3	H5	107.7°	109.4°
O1	C4	N1	122.3°	118.2°
C4	N1	C5	119.2°	118.0°
C4	N1	C14	127.6°	124.1°
N1	C5	C6	114.6°	109.5°
C5	N1	C14	113.0°	117.9°
N1	C5	H7	108.1°	109.5°
N1	C5	H8	108.1°	109.4°
C5	C6	C7	122.7°	119.9°
C5	C6	C11	119.0°	119.9°
C6	C5	H7	108.2°	109.5°
C6	C5	H8	108.2°	109.5°
C6	C7	C8	121.0°	120.4°
C7	C6	C11	118.3°	120.2°
C6	C7	H9	119.5°	119.9°
C7	C8	C9	119.9°	119.7°
C8	C7	H9	119.5°	119.7°
C7	C8	H10	120.1°	120.2°
C8	C9	C10	120.0°	120.0°
C9	C8	H10	120.1°	120.1°
C8	C9	H11	120.0°	120.0°
C9	C10	C11	120.0°	120.7°
C9	C10	C13	131.4°	132.2°
C10	C9	H11	120.0°	120.0°
C10	C11	C6	120.8°	118.9°
C10	C11	O2	114.0°	111.2°
C11	C10	C13	108.6°	107.0°
C6	C11	O2	125.2°	129.9°
C11	O2	C12	106.9°	109.2°
O2	C12	C13	107.9°	102.7°
O2	C12	H12	109.9°	110.7°
O2	C12	H13	109.9°	110.8°
C12	C13	C10	102.2°	102.0°
C12	C13	H14	111.3°	110.9°
C12	C13	H15	111.3°	110.9°
C13	C12	H12	109.9°	110.8°
C13	C12	H13	109.9°	110.7°
C10	C13	H14	111.3°	110.9°
C10	C13	H15	111.3°	110.9°
N1	C14	C1	111.7°	110.4°
N1	C14	H17	108.9°	109.4°
N1	C14	H16	108.9°	109.3°
C1	C14	H17	108.9°	109.0°
C1	C14	H16	108.9°	109.5°
C14	C1	H	107.8°	109.8°
H7	C5	H8	109.5°	109.5°
H14	C13	H15	109.4°	110.9°
H6	C3	H5	109.4°	109.4°
H4	C2	H3	109.5°	109.6°
H17	C14	H16	109.4°	109.3°
H1	N	H2	120.0°	120.0°
H12	C12	H13	109.4°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	175.7°	179.9°
N	C	C1	C2	113.4°	60.0°
N	C	C1	C14	123.2°	179.0°
N	C	C1	H	5.3°	60.4°
C	N	H1	H2	180.0°	179.9°
O	C	C1	C2	70.7°	119.9°
O	C	C1	C14	52.8°	0.9°
O	C	C1	H	170.7°	119.6°
O	C	N	H1	0.0°	180.0°
O	C	N	H2	180.0°	0.1°
C	C1	C2	C14	123.9°	119.6°
C	C1	C2	H	118.8°	120.5°
C	C1	C2	C3	178.1°	172.7°
C	C1	C14	N1	172.0°	170.7°
C	C1	C14	H	117.9°	120.6°
C	C1	C2	H4	57.9°	67.5°
C	C1	C2	H3	61.7°	53.0°
C	C1	C14	H17	67.6°	69.1°
C	C1	C14	H16	51.7°	50.4°
C1	C	N	H1	175.9°	0.1°
C1	C	N	H2	4.1°	180.0°
C1	C2	C3	H4	120.2°	119.8°
C1	C2	C3	H3	120.2°	119.8°
C1	C2	C3	C4	41.4°	48.9°
C2	C1	C14	N1	47.2°	51.0°
C2	C1	C14	H	117.3°	119.8°
C1	C2	C3	H6	79.6°	169.0°
C1	C2	C3	H5	162.4°	71.2°
C1	C2	H4	H3	119.3°	120.5°
C2	C1	C14	H17	167.6°	171.2°
C2	C1	C14	H16	73.1°	69.3°
C2	C3	C4	H6	121.0°	120.1°
C2	C3	C4	H5	121.0°	120.1°
C2	C3	C4	O1	161.1°	162.4°
C2	C3	C4	N1	13.9°	17.6°
C3	C2	C1	C14	57.9°	67.7°
C2	C3	H6	H5	116.9°	119.7°
C3	C2	H4	H3	119.3°	120.5°
C3	C2	C1	H	59.4°	52.2°
C3	C4	O1	N1	174.7°	180.0°
C3	C4	N1	C5	177.2°	177.8°
C3	C4	N1	C14	3.7°	2.5°
C4	C3	H6	H5	116.9°	119.8°
C4	C3	C2	H4	161.6°	70.9°
C4	C3	C2	H3	78.8°	168.7°
O1	C4	N1	C5	2.3°	2.2°
O1	C4	N1	C14	171.2°	177.6°
O1	C4	C3	H6	77.9°	42.3°
O1	C4	C3	H5	40.1°	77.5°
C4	N1	C5	C14	174.4°	179.8°
C4	N1	C5	C6	89.7°	90.0°
C4	N1	C14	C1	21.2°	19.5°
C4	N1	C5	H7	31.0°	150.0°
C4	N1	C5	H8	149.6°	30.0°
N1	C4	C3	H6	107.1°	137.8°
N1	C4	C3	H5	134.9°	102.5°
C4	N1	C14	H17	141.5°	139.4°
C4	N1	C14	H16	99.1°	101.0°
N1	C5	C6	H7	120.7°	120.0°
N1	C5	C6	H8	120.7°	120.0°
N1	C5	C6	C7	4.8°	100.0°
N1	C5	C6	C11	174.4°	79.7°
C5	N1	C14	C1	164.9°	160.8°
N1	C5	H7	H8	117.6°	120.0°
C5	N1	C14	H17	44.6°	40.9°
C5	N1	C14	H16	74.7°	78.7°
C5	C6	C7	C11	179.2°	179.7°
C5	C6	C7	C8	178.0°	180.0°
C5	C6	C11	C10	176.8°	179.7°
C5	C6	C11	O2	2.7°	1.0°
C6	C5	N1	C14	95.9°	89.8°
C6	C5	H7	H8	117.7°	120.1°
C5	C6	C7	H9	2.0°	0.0°
C6	C7	C8	H9	180.0°	180.0°
C6	C7	C8	C9	1.4°	0.2°
C7	C6	C11	C10	2.4°	0.0°
C7	C6	C11	O2	178.1°	179.3°
C7	C6	C5	H7	125.5°	140.0°
C7	C6	C5	H8	115.9°	20.0°
C6	C7	C8	H10	178.6°	179.8°
C7	C8	C9	H10	180.0°	180.0°
C7	C8	C9	C10	2.7°	0.2°
C8	C7	C6	C11	1.1°	0.3°
C7	C8	C9	H11	177.3°	179.9°
C8	C9	C10	H11	180.0°	179.9°
C8	C9	C10	C11	1.4°	0.5°
C8	C9	C10	C13	179.4°	179.3°
C9	C8	C7	H9	178.6°	179.9°
C9	C10	C11	C13	178.4°	179.8°
C9	C10	C11	C6	1.2°	0.3°
C9	C10	C11	O2	179.2°	179.0°
C9	C10	C13	C12	176.3°	164.4°
C10	C9	C8	H10	177.3°	179.8°
C9	C10	C13	H14	64.8°	77.4°
C9	C10	C13	H15	57.5°	46.2°
C10	C11	C6	O2	179.5°	179.2°
C10	C11	O2	C12	2.2°	19.1°
C11	C10	C13	C12	5.5°	15.3°
C11	C10	C13	H14	113.4°	102.8°
C11	C10	C13	H15	124.3°	133.5°
C11	C10	C9	H11	178.6°	179.7°
C6	C11	O2	C12	178.2°	161.6°
C6	C11	C10	C13	177.3°	179.4°
C11	C6	C5	H7	53.6°	40.3°
C11	C6	C5	H8	64.9°	160.3°
C11	C6	C7	H9	178.9°	179.7°
C11	O2	C12	C13	5.7°	27.8°
O2	C11	C10	C13	2.3°	1.2°
C11	O2	C12	H12	125.5°	146.1°
C11	O2	C12	H13	114.1°	90.5°
O2	C12	C13	H12	119.8°	118.3°
O2	C12	C13	H13	119.8°	118.3°
O2	C12	C13	C10	6.7°	25.3°
O2	C12	C13	H14	112.1°	92.9°
O2	C12	C13	H15	125.5°	143.5°
O2	C12	H12	H13	120.7°	123.3°
C12	C13	C10	H14	118.8°	118.1°
C12	C13	C10	H15	118.8°	118.2°
C12	C13	H14	H15	123.4°	123.7°
C13	C12	H12	H13	120.7°	123.3°
C10	C13	H14	H15	123.4°	123.7°
C10	C13	C12	H12	126.5°	143.6°
C10	C13	C12	H13	113.1°	93.0°
C13	C10	C9	H11	0.6°	0.6°
N1	C14	C1	H17	120.4°	120.1°
N1	C14	C1	H16	120.3°	120.4°
C14	N1	C5	H7	143.4°	30.2°
C14	N1	C5	H8	24.9°	150.2°
N1	C14	H17	H16	119.0°	119.6°
N1	C14	C1	H	70.1°	68.7°
C14	C1	C2	H4	178.1°	52.1°
C14	C1	C2	H3	62.3°	172.6°
C1	C14	H17	H16	118.9°	119.6°
H9	C7	C8	H10	1.4°	0.2°
H10	C8	C9	H11	2.7°	0.1°
H14	C13	C12	H12	7.6°	25.4°
H14	C13	C12	H13	128.1°	148.8°
H15	C13	C12	H12	114.7°	98.2°
H15	C13	C12	H13	5.8°	25.2°
H6	C3	C2	H4	40.6°	49.3°
H6	C3	C2	H3	160.2°	71.2°
H5	C3	C2	H4	77.4°	169.0°
H5	C3	C2	H3	42.2°	48.6°
H4	C2	C1	H	60.8°	172.0°
H3	C2	C1	H	179.6°	67.5°
H17	C14	C1	H	50.3°	51.4°
H16	C14	C1	H	169.6°	170.9°

Release date:	2025-02-26
Definition date:	2025-01-14
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HY1