A1CWB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O20	S18	doub	1.42Å	1.43Å
C28	C26	sing	1.51Å	1.50Å
C4	C5	doub	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.39Å	1.39Å	Aromatic
S18	O19	doub	1.42Å	1.43Å
S18	C3	sing	1.76Å	1.77Å
S18	N21	sing	1.66Å	1.63Å
C5	C6	sing	1.39Å	1.40Å	Aromatic
N27	C26	doub	1.32Å	1.34Å	Aromatic
N27	C22	sing	1.32Å	1.34Å	Aromatic
C26	C25	sing	1.39Å	1.38Å	Aromatic
C3	C2	doub	1.38Å	1.42Å	Aromatic
N21	C22	sing	1.38Å	1.39Å
C22	N23	doub	1.33Å	1.34Å	Aromatic
C25	CL29	sing	1.74Å	1.72Å
C25	C24	doub	1.39Å	1.38Å	Aromatic
N23	C24	sing	1.32Å	1.34Å	Aromatic
C6	N8	sing	1.39Å	1.36Å
C6	N7	doub	1.32Å	1.34Å	Aromatic
C24	C30	sing	1.51Å	1.50Å
C2	N7	sing	1.32Å	1.34Å	Aromatic
C2	C1	sing	1.51Å	1.50Å
N8	C9	sing	1.47Å	1.45Å
C9	C10	sing	1.51Å	1.51Å
F16	C15	sing	1.35Å	1.35Å
C10	C15	doub	1.39Å	1.38Å	Aromatic
C10	C11	sing	1.39Å	1.38Å	Aromatic
C15	C14	sing	1.38Å	1.37Å	Aromatic
F17	C11	sing	1.35Å	1.35Å
C11	C12	doub	1.38Å	1.37Å	Aromatic
C14	N13	doub	1.32Å	1.34Å	Aromatic
C12	N13	sing	1.32Å	1.34Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C9	H2	sing	1.09Å	1.10Å
C9	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C28	H9	sing	1.09Å	1.10Å
C28	H10	sing	1.09Å	1.10Å
C28	H11	sing	1.09Å	1.10Å
C30	H12	sing	1.09Å	1.10Å
C30	H13	sing	1.09Å	1.10Å
C30	H14	sing	1.09Å	1.10Å
C5	H15	sing	1.08Å	1.08Å
N21	H16	sing	0.97Å	1.00Å
N8	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O20	S18	O19	119.6°	123.1°
O20	S18	C3	107.6°	106.4°
O20	S18	N21	106.7°	106.4°
C28	C26	N27	116.4°	120.4°
C28	C26	C25	122.9°	120.4°
C26	C28	H9	109.5°	109.5°
C26	C28	H10	109.4°	109.4°
C26	C28	H11	109.4°	109.4°
C5	C4	C3	119.9°	118.5°
C4	C5	C6	118.6°	119.1°
C5	C4	H1	120.0°	120.8°
C4	C5	H15	120.7°	120.4°
C4	C3	S18	117.4°	120.3°
C4	C3	C2	117.4°	119.3°
C3	C4	H1	120.0°	120.7°
O19	S18	C3	108.0°	106.4°
O19	S18	N21	106.9°	106.4°
C3	S18	N21	107.5°	107.2°
S18	C3	C2	125.2°	120.3°
S18	N21	C22	126.0°	120.0°
S18	N21	H16	105.2°	120.0°
C5	C6	N8	120.4°	119.7°
C5	C6	N7	123.0°	120.6°
C6	C5	H15	120.7°	120.5°
C26	N27	C22	116.2°	120.8°
N27	C26	C25	120.7°	119.2°
N27	C22	N21	116.8°	119.2°
N27	C22	N23	126.8°	121.6°
C26	C25	CL29	120.3°	120.7°
C26	C25	C24	119.4°	118.5°
C3	C2	N7	122.8°	120.8°
C3	C2	C1	121.1°	119.6°
N21	C22	N23	116.4°	119.2°
C22	N21	H16	105.2°	120.0°
C22	N23	C24	116.2°	120.7°
CL29	C25	C24	120.3°	120.7°
C25	C24	N23	120.7°	119.2°
C25	C24	C30	122.9°	120.4°
N23	C24	C30	116.4°	120.4°
N8	C6	N7	116.6°	119.8°
C6	N8	C9	123.0°	120.0°
C6	N8	H17	106.0°	120.0°
C6	N7	C2	118.2°	121.7°
C24	C30	H12	109.5°	109.5°
C24	C30	H13	109.5°	109.5°
C24	C30	H14	109.5°	109.5°
N7	C2	C1	116.2°	119.6°
C2	C1	H4	109.5°	109.5°
C2	C1	H5	109.5°	109.5°
C2	C1	H6	109.5°	109.5°
N8	C9	C10	110.9°	109.4°
N8	C9	H2	109.1°	109.4°
N8	C9	H3	109.1°	109.5°
C9	N8	H17	106.0°	120.0°
C9	C10	C15	122.8°	120.8°
C9	C10	C11	122.8°	120.8°
C10	C9	H2	109.1°	109.5°
C10	C9	H3	109.1°	109.5°
F16	C15	C10	117.9°	120.4°
F16	C15	C14	119.8°	120.4°
C15	C10	C11	114.4°	118.4°
C10	C15	C14	122.4°	119.1°
C10	C11	F17	117.9°	120.4°
C10	C11	C12	122.3°	119.1°
C15	C14	N13	121.5°	120.8°
C15	C14	H8	119.2°	119.6°
F17	C11	C12	119.8°	120.5°
C11	C12	N13	121.5°	120.8°
C11	C12	H7	119.2°	119.6°
C14	N13	C12	117.9°	121.8°
N13	C14	H8	119.3°	119.6°
N13	C12	H7	119.3°	119.6°
H2	C9	H3	109.5°	109.6°
H4	C1	H5	109.5°	109.5°
H4	C1	H6	109.5°	109.4°
H5	C1	H6	109.5°	109.5°
H9	C28	H10	109.5°	109.5°
H9	C28	H11	109.5°	109.5°
H10	C28	H11	109.5°	109.5°
H12	C30	H13	109.5°	109.5°
H12	C30	H14	109.4°	109.5°
H13	C30	H14	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O20	S18	C3	C4	2.6°	1.6°
O20	S18	O19	C3	123.4°	123.0°
O20	S18	O19	N21	121.2°	122.9°
O20	S18	C3	N21	114.6°	113.5°
O20	S18	C3	C2	176.5°	178.5°
O20	S18	N21	C22	59.4°	50.9°
O20	S18	N21	H16	178.4°	129.1°
C28	C26	N27	C25	179.7°	179.7°
C28	C26	N27	C22	179.5°	179.7°
C28	C26	C25	CL29	2.2°	0.0°
C28	C26	C25	C24	178.7°	180.0°
C26	C28	H9	H10	120.0°	120.0°
C26	C28	H9	H11	120.0°	120.0°
C26	C28	H10	H11	120.0°	120.0°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	S18	178.9°	180.0°
C4	C5	C6	H15	180.0°	180.0°
C5	C4	C3	C2	0.3°	0.0°
C4	C5	C6	N8	179.5°	180.0°
C4	C5	C6	N7	0.2°	0.1°
C4	C3	S18	O19	127.8°	131.3°
C4	C3	S18	C2	179.1°	179.9°
C4	C3	S18	N21	117.2°	115.1°
C3	C4	C5	C6	0.1°	0.1°
C4	C3	C2	N7	0.2°	0.0°
C4	C3	C2	C1	180.0°	180.0°
C3	C4	C5	H15	179.9°	179.9°
O19	S18	C3	N21	115.1°	113.5°
O19	S18	C3	C2	53.1°	48.6°
O19	S18	N21	C22	171.6°	176.2°
O19	S18	N21	H16	49.4°	3.8°
C3	S18	N21	C22	55.8°	62.7°
S18	C3	C2	N7	178.8°	180.0°
S18	C3	C2	C1	1.0°	0.1°
S18	C3	C4	H1	1.1°	0.4°
C3	S18	N21	H16	66.4°	117.3°
S18	N21	C22	N27	0.8°	15.3°
N21	S18	C3	C2	61.9°	64.9°
S18	N21	C22	H16	122.2°	180.0°
S18	N21	C22	N23	179.8°	165.0°
C5	C6	N8	N7	179.7°	179.9°
C5	C6	N7	C2	0.2°	0.1°
C5	C6	N8	C9	155.4°	0.0°
C6	C5	C4	H1	179.9°	179.7°
C5	C6	N8	H17	82.7°	179.9°
C26	N27	C22	N21	178.1°	179.7°
C26	N27	C22	N23	0.7°	0.1°
N27	C26	C25	CL29	178.2°	179.7°
N27	C26	C25	C24	0.9°	0.3°
N27	C26	C28	H9	0.0°	95.0°
N27	C26	C28	H10	120.0°	25.0°
N27	C26	C28	H11	120.0°	145.1°
C22	N27	C26	C25	0.2°	0.1°
N27	C22	N21	N23	178.9°	179.7°
N27	C22	N23	C24	0.9°	0.3°
N27	C22	N21	H16	121.4°	164.7°
C26	C25	CL29	C24	179.1°	179.9°
C26	C25	C24	N23	0.8°	0.6°
C26	C25	C24	C30	179.1°	179.9°
C25	C26	C28	H9	179.7°	84.7°
C25	C26	C28	H10	60.3°	155.3°
C25	C26	C28	H11	59.6°	35.3°
C3	C2	N7	C6	0.0°	0.0°
C3	C2	N7	C1	179.8°	180.0°
C2	C3	C4	H1	179.7°	179.7°
C3	C2	C1	H4	179.8°	84.5°
C3	C2	C1	H5	60.2°	35.6°
C3	C2	C1	H6	59.8°	155.6°
N21	C22	N23	C24	177.9°	180.0°
C22	N23	C24	C25	0.1°	0.6°
C22	N23	C24	C30	179.9°	179.9°
N23	C22	N21	H16	57.6°	15.0°
CL29	C25	C24	N23	178.3°	179.5°
CL29	C25	C24	C30	1.8°	0.0°
C25	C24	N23	C30	179.8°	179.5°
C25	C24	C30	H12	179.8°	90.0°
C25	C24	C30	H13	59.8°	150.0°
C25	C24	C30	H14	60.2°	30.0°
N23	C24	C30	H12	0.0°	90.5°
N23	C24	C30	H13	120.0°	29.5°
N23	C24	C30	H14	120.0°	149.4°
N8	C6	N7	C2	179.4°	180.0°
C6	N8	C9	H17	121.9°	180.0°
C6	N8	C9	C10	102.7°	180.0°
C6	N8	C9	H2	137.0°	60.1°
C6	N8	C9	H3	17.5°	60.0°
N8	C6	C5	H15	0.5°	0.0°
C6	N7	C2	C1	179.8°	180.0°
N7	C6	N8	C9	24.9°	180.0°
N7	C6	C5	H15	179.8°	179.9°
N7	C6	N8	H17	96.9°	0.0°
C24	C30	H12	H13	120.0°	120.0°
C24	C30	H12	H14	120.0°	120.0°
C24	C30	H13	H14	120.0°	120.0°
N7	C2	C1	H4	0.0°	95.5°
N7	C2	C1	H5	120.0°	144.4°
N7	C2	C1	H6	120.0°	24.4°
C2	C1	H4	H5	120.0°	120.0°
C2	C1	H4	H6	120.0°	120.0°
C2	C1	H5	H6	120.0°	120.0°
N8	C9	C10	H2	120.2°	119.9°
N8	C9	C10	H3	120.2°	120.0°
N8	C9	C10	C15	92.2°	90.0°
N8	C9	C10	C11	87.8°	89.7°
N8	C9	H2	H3	119.3°	120.0°
C9	C10	C15	F16	0.6°	0.0°
C9	C10	C15	C11	180.0°	179.8°
C9	C10	C15	C14	179.8°	180.0°
C9	C10	C11	F17	0.3°	0.0°
C9	C10	C11	C12	179.9°	180.0°
C10	C9	H2	H3	119.4°	120.0°
C10	C9	N8	H17	19.1°	0.0°
F16	C15	C10	C14	179.6°	180.0°
F16	C15	C10	C11	179.4°	179.7°
F16	C15	C14	N13	179.3°	179.9°
F16	C15	C14	H8	0.7°	0.3°
C15	C10	C11	F17	179.7°	179.8°
C15	C10	C11	C12	0.1°	0.3°
C10	C15	C14	N13	0.3°	0.1°
C15	C10	C9	H2	28.0°	150.0°
C15	C10	C9	H3	147.5°	29.9°
C10	C15	C14	H8	179.7°	179.7°
C11	C10	C15	C14	0.2°	0.2°
C10	C11	F17	C12	179.8°	180.0°
C10	C11	C12	N13	0.3°	0.0°
C11	C10	C9	H2	152.0°	30.2°
C11	C10	C9	H3	32.4°	150.3°
C10	C11	C12	H7	179.7°	180.0°
C15	C14	N13	H8	180.0°	179.7°
C15	C14	N13	C12	0.1°	0.4°
F17	C11	C12	N13	179.5°	179.9°
F17	C11	C12	H7	0.5°	0.0°
C11	C12	N13	C14	0.2°	0.4°
C11	C12	N13	H7	180.0°	180.0°
C14	N13	C12	H7	179.8°	179.7°
C12	N13	C14	H8	179.9°	180.0°
H1	C4	C5	H15	0.1°	0.3°
H2	C9	N8	H17	101.1°	120.0°
H3	C9	N8	H17	139.4°	119.9°
H4	C1	H5	H6	120.0°	119.9°
H9	C28	H10	H11	120.0°	120.0°
H12	C30	H13	H14	120.0°	120.0°

Release date:	2026-03-25
Definition date:	2025-09-29
Last modified:	2026-03-20
Release status:	REL
Processing site:	RCSB
Derived from:	9YFU