A1IYW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O05	C04	sing	1.36Å	1.44Å
C04	C06	doub	1.38Å	1.39Å	Aromatic
C04	C03	sing	1.39Å	1.40Å	Aromatic
O02	C03	sing	1.36Å	1.42Å
O02	C01	sing	1.43Å	1.45Å
C06	C07	sing	1.40Å	1.44Å	Aromatic
C03	C09	doub	1.39Å	1.43Å	Aromatic
C07	C10	sing	1.47Å	1.50Å
C07	C08	doub	1.40Å	1.40Å	Aromatic
C09	C08	sing	1.38Å	1.40Å	Aromatic
C10	C11	doub	1.36Å	1.31Å
O16	C15	doub	1.22Å	1.21Å
C11	C15	sing	1.47Å	1.57Å
C11	S12	sing	1.77Å	1.66Å
C15	N14	sing	1.32Å	1.64Å
S12	C13	sing	1.77Å	1.70Å
N14	C13	sing	1.37Å	1.52Å
C13	N17	doub	1.31Å	1.24Å
N17	C18	sing	1.37Å	1.48Å
C18	C23	doub	1.40Å	1.34Å	Aromatic
C18	C19	sing	1.40Å	1.42Å	Aromatic
C23	C22	sing	1.38Å	1.42Å	Aromatic
C19	C20	doub	1.38Å	1.38Å	Aromatic
C22	C21	doub	1.38Å	1.40Å	Aromatic
C20	C21	sing	1.39Å	1.37Å	Aromatic
C20	O24	sing	1.36Å	1.40Å
C21	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C06	H6	sing	1.08Å	1.08Å
C08	H7	sing	1.08Å	1.08Å
C09	H8	sing	1.08Å	1.08Å
C19	H9	sing	1.08Å	1.08Å
C22	H10	sing	1.08Å	1.08Å
C23	H11	sing	1.08Å	1.08Å
O05	H13	sing	0.97Å	0.95Å
O24	H14	sing	0.97Å	0.95Å
N14	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O05	C04	C06	119.9°	119.9°
O05	C04	C03	118.9°	120.0°
C04	O05	H13	109.5°	114.0°
C06	C04	C03	121.2°	120.1°
C04	C06	C07	118.0°	119.8°
C04	C06	H6	120.9°	120.1°
C04	C03	O02	119.0°	119.9°
C04	C03	C09	120.4°	120.2°
C03	O02	C01	114.7°	117.0°
O02	C03	C09	120.6°	119.9°
O02	C01	H3	109.5°	109.4°
O02	C01	H4	109.4°	109.5°
O02	C01	H5	109.4°	109.5°
C06	C07	C10	116.3°	120.1°
C06	C07	C08	121.2°	119.8°
C07	C06	H6	121.0°	120.1°
C03	C09	C08	118.8°	120.2°
C03	C09	H8	120.6°	119.9°
C10	C07	C08	122.5°	120.1°
C07	C10	C11	128.4°	120.0°
C07	C10	H2	115.8°	120.0°
C07	C08	C09	120.3°	120.0°
C07	C08	H7	119.9°	120.0°
C09	C08	H7	119.9°	120.0°
C08	C09	H8	120.6°	119.9°
C10	C11	C15	115.8°	127.8°
C10	C11	S12	134.3°	127.7°
C11	C10	H2	115.8°	120.0°
O16	C15	C11	126.7°	122.3°
O16	C15	N14	125.3°	122.3°
C15	C11	S12	109.8°	104.5°
C11	C15	N14	108.0°	115.4°
C11	S12	C13	102.9°	94.8°
C15	N14	C13	109.4°	118.7°
C15	N14	H12	125.3°	120.6°
S12	C13	N14	109.9°	106.7°
S12	C13	N17	134.2°	126.7°
N14	C13	N17	115.9°	126.6°
C13	N14	H12	125.3°	120.7°
C13	N17	C18	124.8°	119.9°
N17	C18	C23	120.6°	120.1°
N17	C18	C19	117.9°	120.1°
C23	C18	C19	121.5°	119.8°
C18	C23	C22	119.0°	120.0°
C18	C23	H11	120.5°	120.0°
C18	C19	C20	119.5°	119.8°
C18	C19	H9	120.2°	120.1°
C23	C22	C21	119.6°	120.2°
C23	C22	H10	120.2°	119.9°
C22	C23	H11	120.5°	120.0°
C19	C20	C21	119.8°	120.0°
C19	C20	O24	118.9°	120.0°
C20	C19	H9	120.2°	120.1°
C22	C21	C20	120.6°	120.3°
C22	C21	H1	119.7°	119.8°
C21	C22	H10	120.2°	119.9°
C21	C20	O24	121.3°	120.0°
C20	C21	H1	119.7°	119.9°
C20	O24	H14	109.5°	114.0°
H3	C01	H4	109.5°	109.5°
H3	C01	H5	109.5°	109.4°
H4	C01	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O05	C04	C06	C03	180.0°	179.9°
O05	C04	C03	O02	0.6°	0.3°
O05	C04	C06	C07	179.5°	180.0°
O05	C04	C03	C09	179.5°	180.0°
O05	C04	C06	H6	0.5°	0.1°
C06	C04	C03	O02	179.4°	179.7°
C04	C06	C07	H6	180.0°	179.9°
C06	C04	C03	C09	0.5°	0.0°
C04	C06	C07	C10	179.9°	180.0°
C04	C06	C07	C08	0.9°	0.1°
C06	C04	O05	H13	180.0°	90.0°
C04	C03	O02	C09	179.9°	179.7°
C04	C03	O02	C01	161.8°	179.7°
C03	C04	C06	C07	0.5°	0.1°
C04	C03	C09	C08	0.8°	0.0°
C03	C04	C06	H6	179.5°	180.0°
C04	C03	C09	H8	179.2°	180.0°
C03	C04	O05	H13	0.0°	89.9°
O02	C03	C09	C08	179.1°	179.7°
C03	O02	C01	H3	180.0°	60.1°
C03	O02	C01	H4	60.0°	60.0°
C03	O02	C01	H5	60.0°	180.0°
O02	C03	C09	H8	0.9°	0.3°
C01	O02	C03	C09	18.3°	0.0°
O02	C01	H3	H4	120.0°	120.0°
O02	C01	H3	H5	120.0°	119.9°
O02	C01	H4	H5	120.0°	120.0°
C06	C07	C10	C08	179.1°	179.9°
C06	C07	C08	C09	1.2°	0.1°
C06	C07	C10	C11	176.1°	158.1°
C06	C07	C10	H2	3.8°	21.9°
C06	C07	C08	H7	178.8°	180.0°
C03	C09	C08	C07	1.2°	0.1°
C03	C09	C08	H8	180.0°	179.9°
C03	C09	C08	H7	178.8°	180.0°
C10	C07	C08	C09	179.8°	180.0°
C07	C10	C11	H2	180.0°	180.0°
C07	C10	C11	C15	167.2°	172.4°
C07	C10	C11	S12	13.9°	7.5°
C10	C07	C06	H6	0.1°	0.1°
C10	C07	C08	H7	0.2°	0.1°
C07	C08	C09	H7	180.0°	179.9°
C08	C07	C10	C11	4.8°	22.0°
C08	C07	C10	H2	175.2°	157.9°
C08	C07	C06	H6	179.1°	180.0°
C07	C08	C09	H8	178.8°	180.0°
C10	C11	C15	O16	1.8°	0.2°
C10	C11	C15	S12	179.2°	180.0°
C10	C11	C15	N14	179.4°	180.0°
C10	C11	S12	C13	179.3°	180.0°
O16	C15	C11	N14	178.8°	179.8°
O16	C15	C11	S12	179.1°	179.8°
O16	C15	N14	C13	178.9°	179.8°
O16	C15	N14	H12	1.2°	0.2°
C15	C11	S12	C13	0.3°	0.0°
C11	C15	N14	C13	0.0°	0.0°
C15	C11	C10	H2	12.9°	7.6°
C11	C15	N14	H12	180.0°	180.0°
S12	C11	C15	N14	0.2°	0.0°
C11	S12	C13	N14	0.3°	0.0°
C11	S12	C13	N17	179.5°	180.0°
S12	C11	C10	H2	166.1°	172.5°
C15	N14	C13	S12	0.2°	0.0°
C15	N14	C13	H12	180.0°	180.0°
C15	N14	C13	N17	179.5°	180.0°
S12	C13	N14	N17	179.4°	179.9°
S12	C13	N17	C18	0.8°	0.0°
S12	C13	N14	H12	179.8°	179.9°
N14	C13	N17	C18	179.9°	180.0°
C13	N17	C18	C23	64.9°	45.0°
C13	N17	C18	C19	116.4°	134.8°
N17	C13	N14	H12	0.4°	0.0°
N17	C18	C23	C19	178.7°	179.8°
N17	C18	C23	C22	179.4°	179.9°
N17	C18	C19	C20	179.8°	180.0°
N17	C18	C19	H9	0.2°	0.1°
N17	C18	C23	H11	0.6°	0.2°
C18	C23	C22	H11	180.0°	179.7°
C23	C18	C19	C20	1.5°	0.2°
C18	C23	C22	C21	0.3°	0.1°
C23	C18	C19	H9	178.5°	180.0°
C18	C23	C22	H10	179.7°	180.0°
C19	C18	C23	C22	0.7°	0.3°
C18	C19	C20	H9	180.0°	179.9°
C18	C19	C20	C21	1.2°	0.1°
C18	C19	C20	O24	179.0°	179.9°
C19	C18	C23	H11	179.3°	179.9°
C23	C22	C21	H10	180.0°	179.9°
C23	C22	C21	C20	0.5°	0.2°
C23	C22	C21	H1	179.5°	179.9°
C19	C20	C21	C22	0.2°	0.3°
C19	C20	C21	O24	179.8°	180.0°
C19	C20	C21	H1	179.7°	180.0°
C19	C20	O24	H14	180.0°	90.0°
C22	C21	C20	H1	180.0°	179.7°
C22	C21	C20	O24	180.0°	179.7°
C21	C22	C23	H11	179.7°	179.7°
C21	C20	C19	H9	178.8°	179.8°
C20	C21	C22	H10	179.5°	179.7°
C21	C20	O24	H14	0.2°	90.0°
O24	C20	C21	H1	0.1°	0.0°
O24	C20	C19	H9	1.0°	0.2°
H1	C21	C22	H10	0.5°	0.0°
H3	C01	H4	H5	120.0°	120.0°
H7	C08	C09	H8	1.2°	0.1°
H10	C22	C23	H11	0.3°	0.4°

Release date:	2025-02-26
Definition date:	2025-01-16
Last modified:	2025-02-21
Release status:	REL
Processing site:	PDBE
Derived from:	9I11