A1BSS

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	1.53Å	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
C6	C7	sing	1.54Å	1.56Å
C7	C8	sing	1.53Å	1.51Å
C8	N2	sing	1.47Å	1.46Å
N2	C9	sing	1.40Å	1.31Å
C9	N3	sing	1.34Å	1.34Å	Aromatic
N3	N4	sing	1.40Å	1.37Å	Aromatic
N4	C10	doub	1.31Å	1.33Å	Aromatic
C10	C11	sing	1.39Å	1.41Å	Aromatic
C9	C11	doub	1.37Å	1.37Å	Aromatic
C11	C6	sing	1.51Å	1.52Å
C12	N1	sing	1.47Å	1.46Å
C1	C12	sing	1.54Å	1.53Å
N3	H2	sing	0.97Å	1.00Å
C4	H10	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C6	H1	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H14	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C10	H16	sing	1.08Å	1.08Å
C3	H8	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
N	H3	sing	0.97Å	1.00Å
N	H4	sing	0.97Å	1.00Å
N2	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	123.2°	120.0°
N	C	C1	115.7°	120.0°
C	N	H3	120.0°	120.0°
C	N	H4	120.0°	120.0°
O	C	C1	121.0°	120.0°
C	C1	C2	111.7°	109.5°
C	C1	C12	109.2°	109.5°
C	C1	H	109.5°	109.5°
C1	C2	C3	111.1°	109.6°
C2	C1	C12	107.8°	109.2°
C1	C2	H6	109.1°	109.5°
C1	C2	H5	109.1°	109.5°
C2	C1	H	109.2°	109.5°
C2	C3	C4	110.8°	109.3°
C2	C3	H8	109.1°	109.5°
C2	C3	H7	109.1°	109.6°
C3	C2	H6	109.1°	109.5°
C3	C2	H5	109.1°	109.5°
C3	C4	N1	111.0°	108.8°
C3	C4	H10	109.1°	109.6°
C3	C4	H9	109.1°	109.7°
C4	C3	H8	109.1°	109.5°
C4	C3	H7	109.1°	109.5°
C4	N1	C5	125.3°	120.6°
C4	N1	C12	114.5°	118.7°
N1	C4	H10	109.1°	109.6°
N1	C4	H9	109.1°	109.6°
N1	C5	O1	121.6°	120.0°
N1	C5	C6	117.6°	120.0°
C5	N1	C12	120.2°	120.7°
O1	C5	C6	120.3°	120.0°
C5	C6	C7	107.5°	109.6°
C5	C6	C11	110.5°	109.4°
C5	C6	H1	108.4°	109.7°
C6	C7	C8	114.2°	109.8°
C7	C6	C11	114.0°	108.3°
C7	C6	H1	107.9°	109.7°
C6	C7	H12	108.3°	109.4°
C6	C7	H11	108.3°	109.4°
C7	C8	N2	111.1°	108.9°
C8	C7	H12	108.2°	109.5°
C8	C7	H11	108.3°	109.5°
C7	C8	H14	109.1°	109.5°
C7	C8	H13	109.1°	109.5°
C8	N2	C9	117.9°	116.4°
N2	C8	H14	109.1°	109.6°
N2	C8	H13	109.1°	109.6°
C8	N2	H15	107.3°	121.9°
N2	C9	N3	128.4°	129.9°
N2	C9	C11	122.1°	122.3°
C9	N2	H15	107.3°	121.8°
C9	N3	N4	110.9°	107.7°
N3	C9	C11	109.4°	107.8°
C9	N3	H2	124.6°	126.1°
N3	N4	C10	104.5°	108.5°
N4	N3	H2	124.6°	126.2°
N4	C10	C11	112.2°	108.2°
N4	C10	H16	123.9°	125.9°
C10	C11	C9	103.0°	107.8°
C10	C11	C6	136.2°	128.9°
C11	C10	H16	123.9°	125.9°
C9	C11	C6	120.8°	123.3°
C11	C6	H1	108.4°	110.1°
N1	C12	C1	109.2°	108.6°
N1	C12	H18	109.6°	109.6°
N1	C12	H17	109.6°	109.6°
C1	C12	H18	109.5°	109.6°
C1	C12	H17	109.5°	109.8°
C12	C1	H	109.3°	109.7°
H10	C4	H9	109.5°	109.5°
H12	C7	H11	109.5°	109.3°
H14	C8	H13	109.5°	109.6°
H8	C3	H7	109.5°	109.5°
H6	C2	H5	109.4°	109.4°
H18	C12	H17	109.5°	109.6°
H3	N	H4	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.2°	180.0°
N	C	C1	C2	119.1°	60.0°
N	C	C1	C12	121.7°	179.7°
N	C	C1	H	2.0°	60.1°
C	N	H3	H4	180.0°	180.0°
O	C	C1	C2	61.7°	120.0°
O	C	C1	C12	57.5°	0.3°
O	C	C1	H	177.2°	119.9°
O	C	N	H3	0.0°	180.0°
O	C	N	H4	180.0°	0.0°
C	C1	C2	C12	120.0°	119.9°
C	C1	C2	H	121.3°	120.1°
C	C1	C2	C3	178.8°	178.6°
C	C1	C12	N1	178.3°	174.7°
C	C1	C12	H	119.8°	120.1°
C	C1	C2	H6	61.0°	61.3°
C	C1	C2	H5	58.5°	58.6°
C	C1	C12	H18	58.4°	65.6°
C	C1	C12	H17	61.7°	54.9°
C1	C	N	H3	179.2°	0.0°
C1	C	N	H4	0.8°	180.0°
C1	C2	C3	H6	120.2°	120.1°
C1	C2	C3	H5	120.3°	120.0°
C1	C2	C3	C4	54.5°	61.4°
C2	C1	C12	N1	60.2°	54.9°
C2	C1	C12	H	118.7°	120.0°
C1	C2	C3	H8	65.7°	178.7°
C1	C2	C3	H7	174.7°	58.6°
C1	C2	H6	H5	119.2°	119.9°
C2	C1	C12	H18	179.9°	174.5°
C2	C1	C12	H17	59.8°	65.0°
C2	C3	C4	H8	120.2°	120.0°
C2	C3	C4	H7	120.2°	120.0°
C2	C3	C4	N1	50.6°	54.7°
C3	C2	C1	C12	58.8°	61.5°
C2	C3	C4	H10	170.9°	65.1°
C2	C3	C4	H9	69.6°	174.5°
C2	C3	H8	H7	119.4°	120.2°
C3	C2	H6	H5	119.3°	120.0°
C3	C2	C1	H	59.9°	58.6°
C3	C4	N1	H10	120.2°	119.8°
C3	C4	N1	H9	120.2°	120.0°
C3	C4	N1	C5	123.0°	126.4°
C3	C4	N1	C12	55.1°	53.9°
C3	C4	H10	H9	119.3°	120.4°
C4	C3	H8	H7	119.4°	120.0°
C4	C3	C2	H6	174.7°	58.7°
C4	C3	C2	H5	65.8°	178.6°
C4	N1	C5	C12	178.1°	179.8°
C4	N1	C5	O1	165.3°	175.2°
C4	N1	C5	C6	23.1°	4.8°
C4	N1	C12	C1	60.3°	53.9°
N1	C4	H10	H9	119.3°	120.2°
N1	C4	C3	H8	69.6°	174.6°
N1	C4	C3	H7	170.8°	65.3°
C4	N1	C12	H18	179.7°	173.6°
C4	N1	C12	H17	59.6°	66.1°
N1	C5	O1	C6	171.4°	179.9°
N1	C5	C6	C7	85.4°	85.0°
N1	C5	C6	C11	149.6°	156.4°
C5	N1	C12	C1	118.0°	126.3°
C5	N1	C4	H10	2.8°	113.8°
C5	N1	C4	H9	116.8°	6.4°
N1	C5	C6	H1	30.9°	35.5°
C5	N1	C12	H18	2.0°	6.6°
C5	N1	C12	H17	122.1°	113.7°
O1	C5	C6	C7	86.3°	95.1°
O1	C5	C6	C11	38.7°	23.6°
O1	C5	N1	C12	16.6°	4.6°
O1	C5	C6	H1	157.4°	144.5°
C5	C6	C7	C11	122.8°	119.3°
C5	C6	C7	H1	116.7°	120.5°
C5	C6	C7	C8	137.8°	168.9°
C5	C6	C11	C10	65.0°	41.6°
C5	C6	C11	C9	116.8°	138.4°
C5	C6	C11	H1	118.6°	120.6°
C6	C5	N1	C12	155.0°	175.5°
C5	C6	C7	H12	17.1°	48.7°
C5	C6	C7	H11	101.5°	71.0°
C6	C7	C8	H12	120.7°	120.1°
C6	C7	C8	H11	120.7°	120.1°
C6	C7	C8	N2	41.2°	63.9°
C7	C6	C11	C10	173.8°	161.0°
C7	C6	C11	C9	4.4°	18.9°
C7	C6	C11	H1	120.2°	119.9°
C6	C7	H12	H11	117.8°	119.8°
C6	C7	C8	H14	161.4°	176.2°
C6	C7	C8	H13	79.0°	55.9°
C7	C8	N2	H14	120.2°	119.9°
C7	C8	N2	H13	120.3°	119.8°
C7	C8	N2	C9	53.4°	44.7°
C8	C7	C6	C11	15.0°	49.6°
C8	C7	C6	H1	105.5°	70.6°
C8	C7	H12	H11	117.8°	119.9°
C7	C8	H14	H13	119.3°	120.2°
C7	C8	N2	H15	67.8°	135.2°
C8	N2	C9	H15	121.2°	179.9°
C8	N2	C9	N3	148.5°	166.4°
C8	N2	C9	C11	35.5°	13.3°
N2	C8	C7	H12	79.5°	56.2°
N2	C8	C7	H11	161.9°	176.0°
N2	C8	H14	H13	119.2°	120.3°
N2	C9	N3	C11	176.4°	179.8°
N2	C9	N3	N4	176.2°	179.6°
N2	C9	C11	C10	176.3°	179.9°
N2	C9	C11	C6	5.0°	0.2°
N2	C9	N3	H2	3.8°	0.1°
C9	N2	C8	H14	173.6°	164.5°
C9	N2	C8	H13	66.9°	75.1°
C9	N3	N4	H2	180.0°	179.7°
C9	N3	N4	C10	0.1°	0.4°
N3	C9	C11	C10	0.4°	0.1°
N3	C9	C11	C6	178.3°	180.0°
N3	C9	N2	H15	90.3°	13.7°
N3	N4	C10	C11	0.3°	0.4°
N4	N3	C9	C11	0.2°	0.2°
N3	N4	C10	H16	179.7°	179.9°
N4	C10	C11	H16	180.0°	179.6°
N4	C10	C11	C9	0.5°	0.3°
N4	C10	C11	C6	178.0°	179.7°
C10	N4	N3	H2	179.9°	179.9°
C10	C11	C9	C6	178.7°	180.0°
C10	C11	C6	H1	53.7°	79.0°
C11	C9	N3	H2	179.8°	179.8°
C9	C11	C6	H1	124.6°	101.0°
C9	C11	C10	H16	179.6°	180.0°
C11	C9	N2	H15	85.7°	166.6°
C11	C6	C7	H12	105.7°	70.6°
C11	C6	C7	H11	135.7°	169.7°
C6	C11	C10	H16	2.0°	0.1°
N1	C12	C1	H18	120.0°	119.7°
N1	C12	C1	H17	120.0°	119.8°
C12	N1	C4	H10	175.4°	66.0°
C12	N1	C4	H9	65.1°	173.8°
N1	C12	H18	H17	120.2°	120.3°
N1	C12	C1	H	58.5°	65.1°
C12	C1	C2	H6	179.1°	58.6°
C12	C1	C2	H5	61.5°	178.5°
C1	C12	H18	H17	120.1°	120.6°
H10	C4	C3	H8	50.6°	54.8°
H10	C4	C3	H7	69.0°	174.9°
H9	C4	C3	H8	170.2°	65.5°
H9	C4	C3	H7	50.6°	54.5°
H1	C6	C7	H12	133.8°	169.2°
H1	C6	C7	H11	15.2°	49.5°
H12	C7	C8	H14	40.7°	63.7°
H12	C7	C8	H13	160.3°	176.0°
H11	C7	C8	H14	77.9°	56.1°
H11	C7	C8	H13	41.7°	64.2°
H14	C8	N2	H15	52.4°	15.4°
H13	C8	N2	H15	171.9°	104.9°
H8	C3	C2	H6	54.5°	61.2°
H8	C3	C2	H5	174.0°	58.7°
H7	C3	C2	H6	65.1°	178.6°
H7	C3	C2	H5	54.4°	61.4°
H6	C2	C1	H	60.3°	178.7°
H5	C2	C1	H	179.8°	61.4°
H18	C12	C1	H	61.4°	54.5°
H17	C12	C1	H	178.5°	175.0°

Release date:	2025-02-26
Definition date:	2025-01-15
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HUV