X5W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O36	B35	doub	1.27Å	1.33Å
O37	B35	sing	1.42Å	1.34Å
B35	C20	sing	1.57Å	1.59Å
C01	O02	sing	1.43Å	1.41Å
C20	C19	doub	1.40Å	1.40Å	Aromatic
C20	C21	sing	1.39Å	1.40Å	Aromatic
C19	C18	sing	1.39Å	1.39Å	Aromatic
O02	C03	sing	1.36Å	1.42Å
C21	C22	doub	1.39Å	1.39Å	Aromatic
C03	C14	doub	1.37Å	1.39Å	Aromatic
C03	C04	sing	1.40Å	1.42Å	Aromatic
C14	C13	sing	1.41Å	1.43Å	Aromatic
C18	N17	sing	1.40Å	1.47Å
C18	C23	doub	1.39Å	1.39Å	Aromatic
N17	C15	sing	1.35Å	1.47Å
N12	C13	sing	1.33Å	1.39Å	Aromatic
N12	C11	doub	1.32Å	1.33Å	Aromatic
C04	C05	doub	1.36Å	1.40Å	Aromatic
C13	C06	doub	1.42Å	1.38Å	Aromatic
C22	C23	sing	1.40Å	1.39Å	Aromatic
C22	C24	sing	1.48Å	1.54Å
C15	C11	sing	1.48Å	1.54Å
C15	O16	doub	1.21Å	1.19Å
C11	C10	sing	1.40Å	1.41Å	Aromatic
C05	C06	sing	1.40Å	1.45Å	Aromatic
C06	C07	sing	1.41Å	1.46Å	Aromatic
C24	O25	doub	1.22Å	1.19Å
C24	N26	sing	1.35Å	1.46Å
C10	C07	doub	1.38Å	1.43Å	Aromatic
C07	O08	sing	1.36Å	1.41Å
C27	N26	sing	1.46Å	1.45Å
N26	C28	sing	1.46Å	1.46Å
O08	C09	sing	1.43Å	1.40Å
C28	C29	sing	1.51Å	1.55Å
C29	C30	doub	1.38Å	1.40Å	Aromatic
C29	C34	sing	1.38Å	1.41Å	Aromatic
C30	C31	sing	1.38Å	1.40Å	Aromatic
C34	C33	doub	1.38Å	1.40Å	Aromatic
C31	C32	doub	1.38Å	1.39Å	Aromatic
C33	C32	sing	1.38Å	1.39Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C21	H2	sing	1.08Å	1.08Å
C28	H3	sing	1.09Å	1.10Å
C28	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C04	H8	sing	1.08Å	1.08Å
C05	H9	sing	1.08Å	1.08Å
C09	H10	sing	1.09Å	1.10Å
C09	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.08Å	1.08Å
N17	H14	sing	0.97Å	1.00Å
C19	H15	sing	1.08Å	1.08Å
C23	H16	sing	1.08Å	1.08Å
C27	H17	sing	1.09Å	1.10Å
C27	H18	sing	1.09Å	1.10Å
C27	H19	sing	1.09Å	1.10Å
C30	H20	sing	1.08Å	1.08Å
C31	H21	sing	1.08Å	1.08Å
C32	H22	sing	1.08Å	1.08Å
C33	H23	sing	1.08Å	1.08Å
C34	H24	sing	1.08Å	1.08Å
O37	H25	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O36	B35	O37	117.0°	120.0°
O36	B35	C20	121.2°	120.0°
O37	B35	C20	121.9°	119.9°
B35	O37	H25	109.5°	116.9°
B35	C20	C19	122.6°	120.1°
B35	C20	C21	118.1°	120.0°
C01	O02	C03	121.5°	116.9°
O02	C01	H5	109.5°	109.4°
O02	C01	H6	109.5°	109.5°
O02	C01	H7	109.5°	109.5°
C19	C20	C21	119.3°	119.9°
C20	C19	C18	120.6°	120.1°
C20	C19	H15	119.7°	119.9°
C20	C21	C22	120.4°	119.8°
C20	C21	H2	119.8°	120.1°
C19	C18	N17	119.1°	119.9°
C19	C18	C23	119.1°	120.1°
C18	C19	H15	119.7°	120.0°
O02	C03	C14	119.2°	119.5°
O02	C03	C04	122.1°	119.6°
C21	C22	C23	119.6°	120.0°
C21	C22	C24	122.4°	120.0°
C22	C21	H2	119.8°	120.1°
C14	C03	C04	118.7°	121.0°
C03	C14	C13	121.6°	119.7°
C03	C14	H13	119.2°	120.2°
C03	C04	C05	120.3°	120.8°
C03	C04	H8	119.9°	119.6°
C14	C13	N12	118.2°	120.8°
C14	C13	C06	120.1°	119.1°
C13	C14	H13	119.2°	120.1°
N17	C18	C23	121.8°	120.0°
C18	N17	C15	123.0°	120.0°
C18	N17	H14	118.5°	120.0°
C18	C23	C22	121.1°	120.1°
C18	C23	H16	119.5°	119.9°
N17	C15	C11	119.9°	120.0°
N17	C15	O16	123.1°	120.0°
C15	N17	H14	118.5°	120.0°
C13	N12	C11	123.3°	121.6°
N12	C13	C06	121.6°	120.1°
N12	C11	C15	120.3°	119.2°
N12	C11	C10	119.1°	121.6°
C04	C05	C06	120.3°	119.7°
C05	C04	H8	119.9°	119.6°
C04	C05	H9	119.8°	120.1°
C13	C06	C05	119.0°	119.7°
C13	C06	C07	116.7°	119.1°
C23	C22	C24	117.8°	120.0°
C22	C23	H16	119.5°	120.0°
C22	C24	O25	117.4°	120.0°
C22	C24	N26	123.7°	120.0°
C11	C15	O16	116.9°	120.0°
C15	C11	C10	120.6°	119.2°
C11	C10	C07	119.7°	119.6°
C11	C10	H1	120.1°	120.2°
C05	C06	C07	124.3°	121.2°
C06	C05	H9	119.9°	120.2°
C06	C07	C10	119.5°	118.1°
C06	C07	O08	119.1°	121.0°
O25	C24	N26	118.7°	120.0°
C24	N26	C27	121.0°	120.0°
C24	N26	C28	119.4°	120.0°
C10	C07	O08	121.4°	121.0°
C07	C10	H1	120.1°	120.2°
C07	O08	C09	117.1°	117.0°
C27	N26	C28	119.6°	120.0°
N26	C27	H17	109.5°	109.5°
N26	C27	H18	109.4°	109.5°
N26	C27	H19	109.5°	109.5°
N26	C28	C29	107.1°	109.5°
N26	C28	H3	110.1°	109.4°
N26	C28	H4	110.1°	109.5°
O08	C09	H10	109.5°	109.4°
O08	C09	H11	109.5°	109.5°
O08	C09	H12	109.4°	109.5°
C28	C29	C30	120.6°	120.0°
C28	C29	C34	120.8°	120.0°
C29	C28	H3	110.0°	109.4°
C29	C28	H4	110.1°	109.5°
C30	C29	C34	118.6°	120.0°
C29	C30	C31	120.8°	120.0°
C29	C30	H20	119.6°	120.0°
C29	C34	C33	120.8°	120.0°
C29	C34	H24	119.6°	120.0°
C30	C31	C32	119.8°	120.0°
C31	C30	H20	119.7°	120.0°
C30	C31	H21	120.1°	120.0°
C34	C33	C32	119.7°	120.0°
C34	C33	H23	120.1°	120.0°
C33	C34	H24	119.6°	120.0°
C31	C32	C33	120.4°	120.0°
C32	C31	H21	120.1°	120.0°
C31	C32	H22	119.8°	120.0°
C33	C32	H22	119.8°	120.0°
C32	C33	H23	120.1°	120.0°
H3	C28	H4	109.4°	109.5°
H5	C01	H6	109.4°	109.4°
H5	C01	H7	109.5°	109.5°
H6	C01	H7	109.5°	109.5°
H10	C09	H11	109.4°	109.6°
H10	C09	H12	109.5°	109.4°
H11	C09	H12	109.5°	109.5°
H17	C27	H18	109.5°	109.5°
H17	C27	H19	109.4°	109.5°
H18	C27	H19	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O36	B35	O37	C20	179.1°	179.9°
O36	B35	C20	C19	1.0°	179.9°
O36	B35	C20	C21	178.6°	0.2°
O36	B35	O37	H25	0.0°	0.1°
O37	B35	C20	C19	179.9°	0.0°
O37	B35	C20	C21	0.4°	179.7°
B35	C20	C19	C21	179.7°	179.7°
B35	C20	C19	C18	179.6°	179.7°
B35	C20	C21	C22	179.2°	179.8°
B35	C20	C21	H2	0.8°	0.3°
B35	C20	C19	H15	0.4°	0.3°
C20	B35	O37	H25	179.1°	180.0°
C01	O02	C03	C14	5.1°	180.0°
C01	O02	C03	C04	174.6°	0.0°
O02	C01	H5	H6	120.0°	120.0°
O02	C01	H5	H7	120.0°	120.0°
O02	C01	H6	H7	120.0°	120.0°
C20	C19	C18	H15	180.0°	180.0°
C19	C20	C21	C22	1.1°	0.1°
C20	C19	C18	N17	178.5°	180.0°
C20	C19	C18	C23	0.3°	0.0°
C19	C20	C21	H2	178.8°	180.0°
C21	C20	C19	C18	0.1°	0.0°
C20	C21	C22	H2	180.0°	179.9°
C20	C21	C22	C23	2.1°	0.1°
C20	C21	C22	C24	177.4°	180.0°
C21	C20	C19	H15	179.9°	180.0°
C19	C18	N17	C23	178.2°	180.0°
C19	C18	N17	C15	157.3°	34.4°
C19	C18	C23	C22	0.7°	0.1°
C19	C18	N17	H14	22.6°	145.7°
C19	C18	C23	H16	179.3°	180.0°
O02	C03	C14	C04	179.7°	179.9°
O02	C03	C14	C13	179.8°	180.0°
O02	C03	C04	C05	179.8°	179.7°
C03	O02	C01	H5	180.0°	180.0°
C03	O02	C01	H6	60.0°	60.0°
C03	O02	C01	H7	60.0°	60.0°
O02	C03	C04	H8	0.2°	0.0°
O02	C03	C14	H13	0.2°	0.0°
C21	C22	C23	C18	1.9°	0.1°
C21	C22	C23	C24	175.6°	179.8°
C21	C22	C24	O25	50.1°	35.1°
C21	C22	C24	N26	134.2°	145.0°
C21	C22	C23	H16	178.1°	180.0°
C03	C14	C13	H13	180.0°	180.0°
C03	C14	C13	N12	179.7°	180.0°
C14	C03	C04	C05	0.5°	0.2°
C03	C14	C13	C06	0.5°	0.2°
C14	C03	C04	H8	179.5°	179.9°
C04	C03	C14	C13	0.1°	0.0°
C03	C04	C05	H8	180.0°	179.7°
C03	C04	C05	C06	0.4°	0.2°
C03	C04	C05	H9	179.6°	180.0°
C04	C03	C14	H13	179.9°	180.0°
C14	C13	N12	C06	179.8°	179.8°
C14	C13	N12	C11	179.1°	180.0°
C14	C13	C06	C05	0.6°	0.2°
C14	C13	C06	C07	179.6°	179.8°
C18	N17	C15	H14	180.0°	179.9°
N17	C18	C23	C22	177.5°	179.9°
C18	N17	C15	C11	178.7°	174.8°
C18	N17	C15	O16	2.9°	5.2°
N17	C18	C19	H15	1.5°	0.0°
N17	C18	C23	H16	2.5°	0.0°
C23	C18	N17	C15	20.8°	145.6°
C18	C23	C22	H16	180.0°	179.9°
C18	C23	C22	C24	177.4°	179.9°
C23	C18	N17	H14	159.2°	34.3°
C23	C18	C19	H15	179.7°	180.0°
N17	C15	C11	N12	7.4°	0.0°
N17	C15	C11	O16	178.5°	180.0°
N17	C15	C11	C10	172.2°	180.0°
C13	N12	C11	C15	179.5°	180.0°
C13	N12	C11	C10	0.9°	0.0°
N12	C13	C06	C05	179.6°	180.0°
N12	C13	C06	C07	0.2°	0.5°
N12	C13	C14	H13	0.3°	0.0°
C11	N12	C13	C06	0.7°	0.2°
N12	C11	C15	C10	179.6°	180.0°
N12	C11	C15	O16	171.2°	180.0°
N12	C11	C10	C07	0.6°	0.0°
N12	C11	C10	H1	179.4°	179.7°
C04	C05	C06	C13	0.1°	0.0°
C04	C05	C06	H9	180.0°	179.8°
C04	C05	C06	C07	179.9°	179.5°
C13	C06	C05	C07	179.8°	179.5°
C13	C06	C07	C10	0.1°	0.5°
C13	C06	C07	O08	179.9°	179.5°
C13	C06	C05	H9	179.8°	179.8°
C06	C13	C14	H13	179.5°	179.8°
C23	C22	C24	O25	125.4°	145.1°
C23	C22	C24	N26	50.4°	34.8°
C23	C22	C21	H2	177.9°	180.0°
C22	C24	O25	N26	175.9°	179.9°
C22	C24	N26	C27	3.1°	4.5°
C22	C24	N26	C28	175.9°	175.5°
C24	C22	C21	H2	2.5°	0.1°
C24	C22	C23	H16	2.6°	0.1°
C15	C11	C10	C07	179.8°	180.0°
C15	C11	C10	H1	0.2°	0.3°
C11	C15	N17	H14	1.3°	5.3°
O16	C15	C11	C10	9.2°	0.0°
O16	C15	N17	H14	177.1°	174.7°
C11	C10	C07	C06	0.1°	0.3°
C11	C10	C07	H1	180.0°	179.7°
C11	C10	C07	O08	179.9°	179.7°
C05	C06	C07	C10	179.8°	180.0°
C05	C06	C07	O08	0.1°	0.0°
C06	C05	C04	H8	179.6°	180.0°
C06	C07	C10	O08	179.9°	180.0°
C06	C07	O08	C09	178.6°	180.0°
C06	C07	C10	H1	179.9°	180.0°
C07	C06	C05	H9	0.1°	0.3°
O25	C24	N26	C27	178.8°	175.5°
O25	C24	N26	C28	0.2°	4.6°
C24	N26	C27	C28	179.0°	179.9°
C24	N26	C28	C29	80.2°	90.0°
C24	N26	C28	H3	160.2°	150.0°
C24	N26	C28	H4	39.5°	30.1°
C24	N26	C27	H17	180.0°	89.7°
C24	N26	C27	H18	60.0°	150.3°
C24	N26	C27	H19	60.0°	30.3°
C10	C07	O08	C09	1.4°	0.0°
O08	C07	C10	H1	0.1°	0.0°
C07	O08	C09	H10	180.0°	179.9°
C07	O08	C09	H11	60.0°	60.0°
C07	O08	C09	H12	60.0°	60.0°
C27	N26	C28	C29	98.8°	89.9°
C27	N26	C28	H3	20.8°	30.0°
C27	N26	C28	H4	141.6°	150.0°
N26	C27	H17	H18	120.0°	120.1°
N26	C27	H17	H19	120.0°	120.0°
N26	C27	H18	H19	120.0°	120.0°
N26	C28	C29	H3	119.7°	120.0°
N26	C28	C29	H4	119.6°	120.0°
N26	C28	C29	C30	117.1°	90.0°
N26	C28	C29	C34	61.9°	90.3°
N26	C28	H3	H4	121.1°	120.0°
C28	N26	C27	H17	1.1°	90.4°
C28	N26	C27	H18	119.0°	29.6°
C28	N26	C27	H19	121.0°	149.6°
O08	C09	H10	H11	120.0°	120.0°
O08	C09	H10	H12	120.0°	119.9°
O08	C09	H11	H12	120.0°	120.0°
C28	C29	C30	C34	179.0°	179.7°
C28	C29	C30	C31	179.6°	180.0°
C28	C29	C34	C33	179.6°	179.8°
C29	C28	H3	H4	121.1°	120.0°
C28	C29	C30	H20	0.4°	0.0°
C28	C29	C34	H24	0.4°	0.0°
C29	C30	C31	H20	180.0°	180.0°
C30	C29	C34	C33	0.6°	0.5°
C29	C30	C31	C32	0.3°	0.0°
C30	C29	C28	H3	123.3°	30.0°
C30	C29	C28	H4	2.6°	150.0°
C29	C30	C31	H21	179.8°	179.9°
C30	C29	C34	H24	179.4°	179.8°
C34	C29	C30	C31	0.7°	0.3°
C29	C34	C33	H24	180.0°	179.7°
C29	C34	C33	C32	0.2°	0.5°
C34	C29	C28	H3	57.8°	149.7°
C34	C29	C28	H4	178.5°	29.7°
C34	C29	C30	H20	179.3°	179.8°
C29	C34	C33	H23	179.8°	179.7°
C30	C31	C32	H21	180.0°	179.9°
C30	C31	C32	C33	0.2°	0.1°
C30	C31	C32	H22	179.8°	180.0°
C34	C33	C32	C31	0.2°	0.2°
C34	C33	C32	H23	180.0°	179.8°
C34	C33	C32	H22	179.8°	179.8°
C31	C32	C33	H22	180.0°	179.9°
C32	C31	C30	H20	179.7°	180.0°
C31	C32	C33	H23	179.8°	180.0°
C33	C32	C31	H21	179.8°	180.0°
C32	C33	C34	H24	179.8°	179.8°
H5	C01	H6	H7	120.0°	120.0°
H8	C04	C05	H9	0.4°	0.2°
H10	C09	H11	H12	120.0°	120.0°
H17	C27	H18	H19	120.0°	120.0°
H20	C30	C31	H21	0.2°	0.1°
H21	C31	C32	H22	0.2°	0.1°
H22	C32	C33	H23	0.2°	0.1°
H23	C33	C34	H24	0.2°	0.0°

Release date:	2024-02-07
Definition date:	2023-06-02
Last modified:	2025-10-23
Release status:	REL
Processing site:	RCSB
Derived from:	8SYC