POG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OH	C2	sing	1.43Å	1.43Å
OH	HOH	sing	0.97Å	0.95Å
C2	C1	sing	1.52Å	1.49Å
C2	C3	sing	1.52Å	1.45Å
C2	H2	sing	1.10Å	1.10Å
C1	H11	sing	1.10Å	1.10Å
C1	H12A	sing	1.09Å	1.10Å
C1	H13	sing	1.10Å	1.10Å
C3	O2	sing	1.42Å	1.43Å
C3	H31	sing	1.10Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
O2	C5	sing	1.43Å	1.44Å
C5	C15	sing	1.52Å	32.75Å
C5	C16	sing	1.52Å	32.75Å
C5	H5	sing	1.09Å	1.10Å
O1	C4	sing	1.42Å	0.00Å
O1	HO1	sing	0.97Å	0.00Å
C4	C6	sing	1.52Å	0.00Å
C4	H41	sing	1.09Å	0.00Å
C4	H42	sing	1.09Å	0.00Å
C6	O3	sing	1.43Å	0.00Å
C6	C21	sing	1.52Å	0.00Å
C6	H6	sing	1.10Å	0.00Å
O3	C7	sing	1.42Å	0.00Å
C7	C8	sing	1.52Å	0.00Å
C7	H71	sing	1.09Å	0.00Å
C7	H72	sing	1.09Å	0.00Å
C8	O4	sing	1.43Å	0.00Å
C8	C20	sing	1.52Å	0.00Å
C8	H8	sing	1.09Å	0.00Å
O4	C9	sing	1.42Å	0.00Å
C9	C10	sing	1.52Å	0.00Å
C9	H91	sing	1.10Å	0.00Å
C9	H92	sing	1.09Å	0.00Å
C10	O5	sing	1.43Å	0.00Å
C10	C19	sing	1.52Å	0.00Å
C10	H10	sing	1.10Å	0.00Å
O5	C11	sing	1.42Å	0.00Å
C11	C12	sing	1.52Å	0.00Å
C11	H111	sing	1.09Å	0.00Å
C11	H112	sing	1.09Å	0.00Å
C12	O6	sing	1.43Å	0.00Å
C12	C18	sing	1.52Å	0.00Å
C12	H12	sing	1.10Å	0.00Å
O6	C13	sing	1.42Å	0.00Å
C13	C14	sing	1.52Å	0.00Å
C13	H131	sing	1.10Å	0.00Å
C13	H132	sing	1.09Å	0.00Å
C14	O7	sing	1.43Å	0.00Å
C14	C17	sing	1.52Å	0.00Å
C14	H14	sing	1.10Å	0.00Å
O7	C15	sing	1.42Å	0.00Å
C15	H151	sing	1.09Å	0.00Å
C15	H152	sing	1.09Å	0.00Å
C16	H161	sing	1.10Å	0.00Å
C16	H162	sing	1.10Å	0.00Å
C16	H163	sing	1.10Å	0.00Å
C17	H171	sing	1.10Å	0.00Å
C17	H172	sing	1.09Å	0.00Å
C17	H173	sing	1.09Å	0.00Å
C18	H181	sing	1.10Å	0.00Å
C18	H182	sing	1.09Å	0.00Å
C18	H183	sing	1.10Å	0.00Å
C19	H191	sing	1.10Å	0.00Å
C19	H192	sing	1.09Å	0.00Å
C19	H193	sing	1.10Å	0.00Å
C20	H201	sing	1.10Å	0.00Å
C20	H202	sing	1.09Å	0.00Å
C20	H203	sing	1.10Å	0.00Å
C21	H211	sing	1.10Å	0.00Å
C21	H212	sing	1.09Å	0.00Å
C21	H213	sing	1.10Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	OH	HOH	109.5°	106.4°
OH	C2	C1	112.8°	108.9°
OH	C2	C3	107.6°	108.3°
OH	C2	H2	108.7°	107.4°
C1	C2	C3	109.9°	111.5°
C1	C2	H2	106.3°	110.5°
C2	C1	H11	109.5°	110.5°
C2	C1	H12A	109.5°	111.3°
C2	C1	H13	109.4°	110.9°
C3	C2	H2	111.6°	110.1°
C2	C3	O2	110.9°	109.0°
C2	C3	H31	109.0°	111.2°
C2	C3	H32	108.7°	111.1°
H11	C1	H12A	109.4°	108.5°
H11	C1	H13	109.5°	106.7°
H12A	C1	H13	109.5°	108.8°
O2	C3	H31	109.0°	107.8°
O2	C3	H32	108.7°	108.1°
C3	O2	C5	109.3°	111.3°
H31	C3	H32	110.6°	109.5°
O2	C5	C15	118.8°	108.2°
O2	C5	C16	118.8°	108.8°
O2	C5	H5	91.2°	107.4°
C15	C5	C16	0.0°	111.4°
C15	C5	H5	150.0°	110.2°
C5	C15	O7	90.0°	108.9°
C5	C15	H151	90.0°	111.3°
C5	C15	H152	90.0°	111.1°
C16	C5	H5	150.0°	110.5°
C5	C16	H161	90.0°	110.5°
C5	C16	H162	90.0°	111.3°
C5	C16	H163	90.0°	111.0°
C4	O1	HO1	90.0°	106.6°
O1	C4	C6	90.0°	109.0°
O1	C4	H41	90.0°	107.9°
O1	C4	H42	90.0°	108.1°
C6	C4	H41	90.0°	111.3°
C6	C4	H42	90.0°	111.1°
C4	C6	O3	90.0°	108.3°
C4	C6	C21	90.0°	111.5°
C4	C6	H6	90.0°	110.1°
H41	C4	H42	90.0°	109.4°
O3	C6	C21	90.0°	108.9°
O3	C6	H6	90.0°	107.4°
C6	O3	C7	90.0°	111.3°
C21	C6	H6	90.0°	110.5°
C6	C21	H211	90.0°	110.5°
C6	C21	H212	90.0°	111.3°
C6	C21	H213	90.0°	111.0°
O3	C7	C8	90.0°	108.9°
O3	C7	H71	90.0°	107.9°
O3	C7	H72	90.0°	108.1°
C8	C7	H71	90.0°	111.3°
C8	C7	H72	90.0°	111.1°
C7	C8	O4	90.0°	108.3°
C7	C8	C20	90.0°	111.4°
C7	C8	H8	90.0°	110.2°
H71	C7	H72	90.0°	109.6°
O4	C8	C20	90.0°	108.9°
O4	C8	H8	90.0°	107.4°
C8	O4	C9	90.0°	111.3°
C20	C8	H8	90.0°	110.5°
C8	C20	H201	90.0°	110.5°
C8	C20	H202	90.0°	111.3°
C8	C20	H203	90.0°	111.0°
O4	C9	C10	90.0°	108.9°
O4	C9	H91	90.0°	107.8°
O4	C9	H92	90.0°	108.1°
C10	C9	H91	90.0°	111.2°
C10	C9	H92	90.0°	111.2°
C9	C10	O5	90.0°	108.3°
C9	C10	C19	90.0°	111.5°
C9	C10	H10	90.0°	110.2°
H91	C9	H92	90.0°	109.5°
O5	C10	C19	90.0°	108.8°
O5	C10	H10	90.0°	107.4°
C10	O5	C11	90.0°	111.3°
C19	C10	H10	90.0°	110.5°
C10	C19	H191	90.0°	110.5°
C10	C19	H192	90.0°	111.3°
C10	C19	H193	90.0°	111.0°
O5	C11	C12	90.0°	108.9°
O5	C11	H111	90.0°	107.9°
O5	C11	H112	90.0°	108.1°
C12	C11	H111	90.0°	111.2°
C12	C11	H112	90.0°	111.1°
C11	C12	O6	90.0°	108.3°
C11	C12	C18	90.0°	111.5°
C11	C12	H12	90.0°	110.2°
H111	C11	H112	90.0°	109.6°
O6	C12	C18	90.0°	108.9°
O6	C12	H12	90.0°	107.4°
C12	O6	C13	90.0°	111.3°
C18	C12	H12	90.0°	110.5°
C12	C18	H181	90.0°	110.5°
C12	C18	H182	90.0°	111.3°
C12	C18	H183	90.0°	111.0°
O6	C13	C14	90.0°	108.9°
O6	C13	H131	90.0°	107.9°
O6	C13	H132	90.0°	108.1°
C14	C13	H131	90.0°	111.2°
C14	C13	H132	90.0°	111.1°
C13	C14	O7	90.0°	108.3°
C13	C14	C17	90.0°	111.5°
C13	C14	H14	90.0°	110.2°
H131	C13	H132	90.0°	109.5°
O7	C14	C17	90.0°	108.8°
O7	C14	H14	90.0°	107.5°
C14	O7	C15	90.0°	111.3°
C17	C14	H14	90.0°	110.5°
C14	C17	H171	90.0°	110.5°
C14	C17	H172	90.0°	111.3°
C14	C17	H173	90.0°	111.0°
O7	C15	H151	90.0°	107.9°
O7	C15	H152	90.0°	108.1°
H151	C15	H152	90.0°	109.5°
H161	C16	H162	90.0°	108.4°
H161	C16	H163	90.0°	106.7°
H162	C16	H163	90.0°	108.8°
H171	C17	H172	90.0°	108.4°
H171	C17	H173	90.0°	106.7°
H172	C17	H173	90.0°	108.8°
H181	C18	H182	90.0°	108.5°
H181	C18	H183	90.0°	106.7°
H182	C18	H183	90.0°	108.7°
H191	C19	H192	90.0°	108.4°
H191	C19	H193	90.0°	106.7°
H192	C19	H193	90.0°	108.8°
H201	C20	H202	90.0°	108.5°
H201	C20	H203	90.0°	106.7°
H202	C20	H203	90.0°	108.8°
H211	C21	H212	90.0°	108.5°
H211	C21	H213	90.0°	106.7°
H212	C21	H213	90.0°	108.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OH	C2	C1	C3	120.1°	119.4°
OH	C2	C1	H2	119.0°	117.8°
OH	C2	C3	H2	119.1°	117.2°
OH	C2	C1	H11	46.9°	59.3°
OH	C2	C1	H12A	166.9°	179.8°
OH	C2	C1	H13	73.1°	58.9°
OH	C2	C3	O2	35.9°	59.0°
OH	C2	C3	H31	84.1°	59.7°
OH	C2	C3	H32	155.3°	178.0°
HOH	OH	C2	C1	80.0°	29.7°
HOH	OH	C2	C3	158.7°	151.1°
HOH	OH	C2	H2	37.6°	90.0°
C1	C2	C3	H2	117.7°	123.0°
C2	C1	H11	H12A	120.0°	122.2°
C2	C1	H11	H13	120.0°	120.7°
C2	C1	H12A	H13	120.0°	122.5°
C1	C2	C3	O2	159.1°	178.7°
C1	C2	C3	H31	39.1°	60.0°
C1	C2	C3	H32	81.5°	62.3°
C3	C2	C1	H11	167.0°	178.7°
C3	C2	C1	H12A	73.1°	60.7°
C3	C2	C1	H13	47.0°	60.6°
C2	C3	O2	H31	120.0°	120.8°
C2	C3	O2	H32	119.4°	120.9°
C2	C3	H31	H32	119.4°	123.2°
C2	C3	O2	C5	153.1°	180.0°
H2	C2	C1	H11	72.1°	58.5°
H2	C2	C1	H12A	47.9°	62.1°
H2	C2	C1	H13	167.9°	176.6°
H2	C2	C3	O2	83.2°	58.2°
H2	C2	C3	H31	156.8°	177.0°
H2	C2	C3	H32	36.2°	60.8°
H11	C1	H12A	H13	120.0°	115.7°
O2	C3	H31	H32	119.4°	117.4°
C3	O2	C5	C15	82.9°	58.7°
C3	O2	C5	C16	82.9°	180.0°
C3	O2	C5	H5	97.1°	60.3°
H31	C3	O2	C5	33.1°	59.2°
H32	C3	O2	C5	87.5°	59.1°
O2	C5	C15	C16	90.0°	119.7°
O2	C5	C15	H5	180.0°	117.2°
O2	C5	C16	H5	180.0°	117.8°
O2	C5	C15	O7	90.0°	178.5°
O2	C5	C15	H151	90.0°	59.7°
O2	C5	C15	H152	90.0°	62.6°
O2	C5	C16	H161	90.0°	176.2°
O2	C5	C16	H162	90.0°	55.7°
O2	C5	C16	H163	90.0°	65.6°
C15	C5	C16	H5	90.0°	122.9°
C5	C15	O7	C14	90.0°	179.9°
C5	C15	O7	H151	90.0°	120.9°
C5	C15	O7	H152	90.0°	120.8°
C5	C15	H151	H152	90.0°	123.2°
C15	C5	C16	H161	90.0°	64.5°
C15	C5	C16	H162	90.0°	175.0°
C15	C5	C16	H163	90.0°	53.7°
C16	C5	C15	O7	90.0°	58.8°
C16	C5	C15	H151	90.0°	60.0°
C16	C5	C15	H152	90.0°	177.7°
C5	C16	H161	H162	90.0°	122.2°
C5	C16	H161	H163	90.0°	120.8°
C5	C16	H162	H163	90.0°	122.6°
H5	C5	C15	O7	90.0°	64.3°
H5	C5	C15	H151	90.0°	176.9°
H5	C5	C15	H152	90.0°	54.6°
H5	C5	C16	H161	90.0°	58.5°
H5	C5	C16	H162	90.0°	62.0°
H5	C5	C16	H163	90.0°	176.6°
O1	C4	C6	H41	90.0°	118.8°
O1	C4	C6	H42	90.0°	118.9°
O1	C4	H41	H42	90.0°	117.3°
O1	C4	C6	O3	90.0°	59.0°
O1	C4	C6	C21	90.0°	178.8°
O1	C4	C6	H6	90.0°	58.2°
HO1	O1	C4	C6	90.0°	16.7°
HO1	O1	C4	H41	90.0°	104.2°
HO1	O1	C4	H42	90.0°	137.6°
C6	C4	H41	H42	90.0°	123.2°
C4	C6	O3	C21	90.0°	121.4°
C4	C6	O3	H6	90.0°	118.9°
C4	C6	C21	H6	90.0°	122.8°
C4	C6	O3	C7	90.0°	178.6°
C4	C6	C21	H211	90.0°	178.7°
C4	C6	C21	H212	90.0°	60.7°
C4	C6	C21	H213	90.0°	60.5°
H41	C4	C6	O3	90.0°	59.8°
H41	C4	C6	C21	90.0°	60.0°
H41	C4	C6	H6	90.0°	177.0°
H42	C4	C6	O3	90.0°	178.0°
H42	C4	C6	C21	90.0°	62.3°
H42	C4	C6	H6	90.0°	60.8°
O3	C6	C21	H6	90.0°	117.7°
C6	O3	C7	C8	90.0°	179.1°
C6	O3	C7	H71	90.0°	60.0°
C6	O3	C7	H72	90.0°	58.4°
O3	C6	C21	H211	90.0°	59.3°
O3	C6	C21	H212	90.0°	179.9°
O3	C6	C21	H213	90.0°	58.9°
C21	C6	O3	C7	90.0°	60.0°
C6	C21	H211	H212	90.0°	122.3°
C6	C21	H211	H213	90.0°	120.8°
C6	C21	H212	H213	90.0°	122.6°
H6	C6	O3	C7	90.0°	59.7°
H6	C6	C21	H211	90.0°	58.5°
H6	C6	C21	H212	90.0°	62.1°
H6	C6	C21	H213	90.0°	176.6°
O3	C7	C8	H71	90.0°	118.8°
O3	C7	C8	H72	90.0°	118.9°
O3	C7	H71	H72	90.0°	117.4°
O3	C7	C8	O4	90.0°	59.0°
O3	C7	C8	C20	90.0°	178.8°
O3	C7	C8	H8	90.0°	58.2°
C8	C7	H71	H72	90.0°	123.2°
C7	C8	O4	C20	90.0°	121.3°
C7	C8	O4	H8	90.0°	119.0°
C7	C8	C20	H8	90.0°	122.9°
C7	C8	O4	C9	90.0°	178.7°
C7	C8	C20	H201	90.0°	178.6°
C7	C8	C20	H202	90.0°	60.7°
C7	C8	C20	H203	90.0°	60.5°
H71	C7	C8	O4	90.0°	59.7°
H71	C7	C8	C20	90.0°	60.0°
H71	C7	C8	H8	90.0°	176.9°
H72	C7	C8	O4	90.0°	177.9°
H72	C7	C8	C20	90.0°	62.3°
H72	C7	C8	H8	90.0°	60.7°
O4	C8	C20	H8	90.0°	117.8°
C8	O4	C9	C10	90.0°	179.2°
C8	O4	C9	H91	90.0°	60.0°
C8	O4	C9	H92	90.0°	58.3°
O4	C8	C20	H201	90.0°	59.3°
O4	C8	C20	H202	90.0°	179.9°
O4	C8	C20	H203	90.0°	58.8°
C20	C8	O4	C9	90.0°	60.0°
C8	C20	H201	H202	90.0°	122.2°
C8	C20	H201	H203	90.0°	120.7°
C8	C20	H202	H203	90.0°	122.5°
H8	C8	O4	C9	90.0°	59.7°
H8	C8	C20	H201	90.0°	58.5°
H8	C8	C20	H202	90.0°	62.1°
H8	C8	C20	H203	90.0°	176.6°
O4	C9	C10	H91	90.0°	118.7°
O4	C9	C10	H92	90.0°	119.0°
O4	C9	H91	H92	90.0°	117.4°
O4	C9	C10	O5	90.0°	61.0°
O4	C9	C10	C19	90.0°	58.7°
O4	C9	C10	H10	90.0°	178.2°
C10	C9	H91	H92	90.0°	123.2°
C9	C10	O5	C19	90.0°	121.4°
C9	C10	O5	H10	90.0°	119.0°
C9	C10	C19	H10	90.0°	122.9°
C9	C10	O5	C11	90.0°	178.6°
C9	C10	C19	H191	90.0°	178.7°
C9	C10	C19	H192	90.0°	60.8°
C9	C10	C19	H193	90.0°	60.5°
H91	C9	C10	O5	90.0°	179.7°
H91	C9	C10	C19	90.0°	60.0°
H91	C9	C10	H10	90.0°	63.1°
H92	C9	C10	O5	90.0°	58.0°
H92	C9	C10	C19	90.0°	177.8°
H92	C9	C10	H10	90.0°	59.2°
O5	C10	C19	H10	90.0°	117.7°
C10	O5	C11	C12	90.0°	179.2°
C10	O5	C11	H111	90.0°	60.0°
C10	O5	C11	H112	90.0°	58.3°
O5	C10	C19	H191	90.0°	59.3°
O5	C10	C19	H192	90.0°	179.8°
O5	C10	C19	H193	90.0°	58.9°
C19	C10	O5	C11	90.0°	60.0°
C10	C19	H191	H192	90.0°	122.2°
C10	C19	H191	H193	90.0°	120.8°
C10	C19	H192	H193	90.0°	122.6°
H10	C10	O5	C11	90.0°	59.6°
H10	C10	C19	H191	90.0°	58.4°
H10	C10	C19	H192	90.0°	62.2°
H10	C10	C19	H193	90.0°	176.6°
O5	C11	C12	H111	90.0°	118.8°
O5	C11	C12	H112	90.0°	118.9°
O5	C11	H111	H112	90.0°	117.4°
O5	C11	C12	O6	90.0°	59.0°
O5	C11	C12	C18	90.0°	178.8°
O5	C11	C12	H12	90.0°	58.2°
C12	C11	H111	H112	90.0°	123.2°
C11	C12	O6	C18	90.0°	121.4°
C11	C12	O6	H12	90.0°	119.0°
C11	C12	C18	H12	90.0°	122.9°
C11	C12	O6	C13	90.0°	178.7°
C11	C12	C18	H181	90.0°	178.7°
C11	C12	C18	H182	90.0°	60.7°
C11	C12	C18	H183	90.0°	60.5°
H111	C11	C12	O6	90.0°	59.8°
H111	C11	C12	C18	90.0°	60.0°
H111	C11	C12	H12	90.0°	176.9°
H112	C11	C12	O6	90.0°	177.9°
H112	C11	C12	C18	90.0°	62.3°
H112	C11	C12	H12	90.0°	60.8°
O6	C12	C18	H12	90.0°	117.7°
C12	O6	C13	C14	90.0°	179.2°
C12	O6	C13	H131	90.0°	60.0°
C12	O6	C13	H132	90.0°	58.3°
O6	C12	C18	H181	90.0°	59.3°
O6	C12	C18	H182	90.0°	179.9°
O6	C12	C18	H183	90.0°	58.9°
C18	C12	O6	C13	90.0°	60.0°
C12	C18	H181	H182	90.0°	122.3°
C12	C18	H181	H183	90.0°	120.7°
C12	C18	H182	H183	90.0°	122.6°
H12	C12	O6	C13	90.0°	59.7°
H12	C12	C18	H181	90.0°	58.4°
H12	C12	C18	H182	90.0°	62.2°
H12	C12	C18	H183	90.0°	176.6°
O6	C13	C14	H131	90.0°	118.8°
O6	C13	C14	H132	90.0°	119.0°
O6	C13	H131	H132	90.0°	117.4°
O6	C13	C14	O7	90.0°	59.1°
O6	C13	C14	C17	90.0°	178.8°
O6	C13	C14	H14	90.0°	58.2°
C14	C13	H131	H132	90.0°	123.2°
C13	C14	O7	C17	90.0°	121.3°
C13	C14	O7	H14	90.0°	119.0°
C13	C14	C17	H14	90.0°	122.9°
C13	C14	O7	C15	90.0°	178.7°
C13	C14	C17	H171	90.0°	178.7°
C13	C14	C17	H172	90.0°	60.8°
C13	C14	C17	H173	90.0°	60.5°
H131	C13	C14	O7	90.0°	59.7°
H131	C13	C14	C17	90.0°	60.0°
H131	C13	C14	H14	90.0°	177.0°
H132	C13	C14	O7	90.0°	178.0°
H132	C13	C14	C17	90.0°	62.3°
H132	C13	C14	H14	90.0°	60.8°
O7	C14	C17	H14	90.0°	117.8°
C14	O7	C15	H151	90.0°	59.2°
C14	O7	C15	H152	90.0°	59.2°
O7	C14	C17	H171	90.0°	59.3°
O7	C14	C17	H172	90.0°	179.8°
O7	C14	C17	H173	90.0°	58.8°
C17	C14	O7	C15	90.0°	60.0°
C14	C17	H171	H172	90.0°	122.2°
C14	C17	H171	H173	90.0°	120.8°
C14	C17	H172	H173	90.0°	122.6°
H14	C14	O7	C15	90.0°	59.6°
H14	C14	C17	H171	90.0°	58.5°
H14	C14	C17	H172	90.0°	62.1°
H14	C14	C17	H173	90.0°	176.6°
O7	C15	H151	H152	90.0°	117.4°
H161	C16	H162	H163	90.0°	115.7°
H171	C17	H172	H173	90.0°	115.7°
H181	C18	H182	H183	90.0°	115.6°
H191	C19	H192	H193	90.0°	115.7°
H201	C20	H202	H203	90.0°	115.7°
H211	C21	H212	H213	90.0°	115.6°

Definition date:	2004-09-01
Last modified:	2020-05-27
Release status:	REL
Processing site:	RCSB
Derived from:	1WOZ