A1BWS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.23Å
C1	O2	sing	1.34Å	1.27Å
C1	C2	sing	1.51Å	1.53Å
C2	C3	sing	1.53Å	1.52Å
C3	O3	sing	1.43Å	1.41Å
C3	C4	sing	1.51Å	1.55Å
O4	C4	doub	1.21Å	1.23Å
C4	N1	sing	1.35Å	1.35Å
N1	C6	sing	1.46Å	1.46Å
C9	C8	sing	1.53Å	1.53Å
C6	C11	sing	1.51Å	1.53Å
C6	C7	sing	1.53Å	1.51Å
C8	C7	sing	1.53Å	1.52Å
C8	C10	sing	1.53Å	1.52Å
C11	N2	sing	1.35Å	1.35Å
C11	O5	doub	1.21Å	1.22Å
O2	H1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
O3	H5	sing	0.97Å	0.95Å
N1	H6	sing	0.97Å	1.00Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
N2	H17	sing	0.97Å	1.00Å
N2	H18	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	124.5°	120.0°
O1	C1	C2	119.6°	120.0°
O2	C1	C2	115.8°	120.0°
C1	O2	H1	109.5°	117.0°
C1	C2	C3	110.7°	109.4°
C1	C2	H2	109.2°	109.5°
C1	C2	H3	109.2°	109.5°
C2	C3	O3	107.9°	109.5°
C2	C3	C4	115.6°	109.4°
C3	C2	H2	109.2°	109.5°
C3	C2	H3	109.2°	109.4°
C2	C3	H4	105.7°	109.5°
O3	C3	C4	114.5°	109.5°
O3	C3	H4	107.0°	109.5°
C3	O3	H5	109.5°	114.0°
C3	C4	O4	119.8°	120.0°
C3	C4	N1	117.9°	120.1°
C4	C3	H4	105.5°	109.4°
O4	C4	N1	122.3°	120.0°
C4	N1	C6	123.3°	120.0°
C4	N1	H6	118.3°	119.9°
N1	C6	C11	106.2°	109.5°
N1	C6	C7	113.8°	109.5°
C6	N1	H6	118.3°	120.0°
N1	C6	H7	111.3°	109.4°
C9	C8	C7	109.6°	109.4°
C9	C8	C10	111.2°	109.5°
C9	C8	H10	109.4°	109.5°
C8	C9	H11	109.5°	109.5°
C8	C9	H12	109.5°	109.5°
C8	C9	H13	109.5°	109.5°
C11	C6	C7	104.3°	109.5°
C6	C11	N2	117.0°	120.0°
C6	C11	O5	117.2°	120.0°
C11	C6	H7	110.3°	109.5°
C6	C7	C8	117.4°	109.5°
C7	C6	H7	110.4°	109.5°
C6	C7	H8	107.5°	109.5°
C6	C7	H9	107.5°	109.5°
C7	C8	C10	107.7°	109.4°
C8	C7	H8	107.5°	109.4°
C8	C7	H9	107.5°	109.5°
C7	C8	H10	109.5°	109.5°
C10	C8	H10	109.4°	109.5°
C8	C10	H14	109.5°	109.5°
C8	C10	H15	109.5°	109.5°
C8	C10	H16	109.5°	109.4°
N2	C11	O5	125.8°	120.0°
C11	N2	H17	120.0°	120.0°
C11	N2	H18	120.0°	120.0°
H2	C2	H3	109.5°	109.5°
H8	C7	H9	109.4°	109.5°
H11	C9	H12	109.5°	109.5°
H11	C9	H13	109.5°	109.5°
H12	C9	H13	109.5°	109.5°
H14	C10	H15	109.5°	109.5°
H14	C10	H16	109.4°	109.4°
H15	C10	H16	109.4°	109.4°
H17	N2	H18	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	179.6°	179.7°
O1	C1	C2	C3	56.1°	0.3°
O1	C1	O2	H1	0.0°	0.3°
O1	C1	C2	H2	64.1°	120.3°
O1	C1	C2	H3	176.3°	119.7°
O2	C1	C2	C3	123.5°	180.0°
O2	C1	C2	H2	116.3°	60.1°
O2	C1	C2	H3	3.3°	60.0°
C1	C2	C3	H2	120.2°	120.0°
C1	C2	C3	H3	120.2°	120.0°
C1	C2	C3	O3	70.8°	65.0°
C1	C2	C3	C4	159.6°	175.0°
C2	C1	O2	H1	179.6°	180.0°
C1	C2	H2	H3	119.4°	120.1°
C1	C2	C3	H4	43.4°	55.0°
C2	C3	O3	C4	130.2°	120.0°
C2	C3	O3	H4	113.3°	120.0°
C2	C3	C4	H4	116.4°	119.9°
C2	C3	C4	O4	94.4°	115.1°
C2	C3	C4	N1	86.9°	65.0°
C3	C2	H2	H3	119.4°	119.9°
C2	C3	O3	H5	180.0°	60.0°
O3	C3	C4	H4	117.3°	120.0°
O3	C3	C4	O4	139.3°	5.0°
O3	C3	C4	N1	39.4°	175.0°
O3	C3	C2	H2	169.0°	175.0°
O3	C3	C2	H3	49.4°	55.0°
C3	C4	O4	N1	178.6°	180.0°
C3	C4	N1	C6	178.2°	180.0°
C4	C3	C2	H2	39.4°	54.9°
C4	C3	C2	H3	80.2°	65.0°
C4	C3	O3	H5	49.8°	60.0°
C3	C4	N1	H6	1.8°	0.0°
O4	C4	N1	C6	0.5°	0.0°
O4	C4	C3	H4	21.9°	125.0°
O4	C4	N1	H6	179.5°	180.0°
C4	N1	C6	H6	180.0°	180.0°
C4	N1	C6	C11	114.7°	85.0°
C4	N1	C6	C7	131.1°	155.0°
N1	C4	C3	H4	156.7°	55.0°
C4	N1	C6	H7	5.5°	35.0°
N1	C6	C11	C7	120.6°	120.0°
N1	C6	C11	H7	120.8°	119.9°
N1	C6	C7	H7	126.1°	120.0°
N1	C6	C7	C8	68.9°	65.0°
N1	C6	C11	N2	132.3°	180.0°
N1	C6	C11	O5	48.6°	0.1°
N1	C6	C7	H8	52.3°	55.0°
N1	C6	C7	H9	170.0°	175.0°
C9	C8	C7	C6	59.1°	175.0°
C9	C8	C7	C10	121.1°	119.9°
C9	C8	C7	H10	120.0°	120.0°
C9	C8	C10	H10	120.9°	120.1°
C9	C8	C7	H8	179.8°	55.0°
C9	C8	C7	H9	62.1°	65.0°
C8	C9	H11	H12	120.0°	120.0°
C8	C9	H11	H13	120.0°	120.0°
C8	C9	H12	H13	120.0°	120.0°
C9	C8	C10	H14	180.0°	59.9°
C9	C8	C10	H15	60.0°	180.0°
C9	C8	C10	H16	60.0°	60.0°
C11	C6	C7	H7	118.6°	120.0°
C11	C6	C7	C8	175.8°	175.0°
C6	C11	N2	O5	179.1°	179.9°
C11	C6	N1	H6	65.3°	95.0°
C11	C6	C7	H8	63.1°	65.0°
C11	C6	C7	H9	54.6°	54.9°
C6	C11	N2	H17	179.1°	0.1°
C6	C11	N2	H18	0.9°	180.0°
C6	C7	C8	H8	121.1°	120.0°
C6	C7	C8	H9	121.2°	120.0°
C6	C7	C8	C10	179.9°	65.0°
C7	C6	C11	N2	107.2°	59.9°
C7	C6	C11	O5	72.0°	120.0°
C7	C6	N1	H6	48.9°	25.0°
C6	C7	H8	H9	116.4°	120.0°
C6	C7	C8	H10	60.9°	55.0°
C7	C8	C10	H10	119.0°	120.0°
C8	C7	C6	H7	57.2°	55.0°
C8	C7	H8	H9	116.4°	120.0°
C7	C8	C9	H11	180.0°	59.9°
C7	C8	C9	H12	60.0°	180.0°
C7	C8	C9	H13	60.0°	60.1°
C7	C8	C10	H14	60.0°	60.0°
C7	C8	C10	H15	60.1°	60.1°
C7	C8	C10	H16	179.9°	180.0°
C10	C8	C7	H8	58.7°	175.0°
C10	C8	C7	H9	59.0°	55.0°
C10	C8	C9	H11	61.0°	60.0°
C10	C8	C9	H12	59.0°	60.0°
C10	C8	C9	H13	179.0°	180.0°
C8	C10	H14	H15	120.0°	120.1°
C8	C10	H14	H16	120.0°	120.0°
C8	C10	H15	H16	120.0°	120.0°
N2	C11	C6	H7	11.5°	60.1°
C11	N2	H17	H18	180.0°	180.0°
O5	C11	C6	H7	169.4°	120.0°
O5	C11	N2	H17	0.0°	180.0°
O5	C11	N2	H18	180.0°	0.0°
H2	C2	C3	H4	76.8°	65.0°
H3	C2	C3	H4	163.6°	175.0°
H4	C3	O3	H5	66.7°	180.0°
H6	N1	C6	H7	174.5°	145.0°
H7	C6	C7	H8	178.4°	174.9°
H7	C6	C7	H9	63.9°	65.1°
H8	C7	C8	H10	60.2°	65.0°
H9	C7	C8	H10	177.9°	175.0°
H10	C8	C9	H11	59.9°	179.9°
H10	C8	C9	H12	179.9°	60.0°
H10	C8	C9	H13	60.1°	59.9°
H10	C8	C10	H14	59.0°	180.0°
H10	C8	C10	H15	179.1°	59.9°
H10	C8	C10	H16	60.9°	60.0°
H11	C9	H12	H13	120.0°	120.0°
H14	C10	H15	H16	119.9°	119.9°

Release date:	2025-03-26
Definition date:	2025-02-14
Last modified:	2025-03-21
Release status:	REL
Processing site:	RCSB
Derived from:	9NBN