Summary Geometry PCM/PTM Related PDB entries

A1B90

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C5	sing	1.53Å	1.53Å
C4	C3	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.53Å
C2	C1	sing	1.51Å	1.53Å
C1	O2	doub	1.21Å	1.19Å
C1	O1	sing	1.34Å	1.45Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
O1	H10	sing	0.97Å	0.95Å
C5	C6	sing	1.53Å	240.77Å
C6	C7	sing	1.53Å	0.00Å
C7	C8	sing	1.53Å	0.00Å
C8	C9	sing	1.53Å	0.00Å
C9	C10	sing	1.53Å	0.00Å
C10	C11	sing	1.53Å	0.00Å
C11	C12	sing	1.53Å	0.00Å
C12	C13	sing	1.53Å	0.00Å
C13	C14	sing	1.53Å	0.00Å
C14	C15	sing	1.53Å	0.00Å
C15	C16	sing	1.53Å	0.00Å
C16	C17	sing	1.53Å	0.00Å
C17	C18	sing	1.53Å	0.00Å
C18	C19	sing	1.53Å	0.00Å
C19	C20	sing	1.51Å	0.00Å
C20	O3	sing	1.34Å	0.00Å
C20	O4	doub	1.21Å	0.00Å
C6	H9	sing	1.09Å	0.00Å
C6	H11	sing	1.09Å	0.00Å
C7	H12	sing	1.09Å	0.00Å
C7	H13	sing	1.09Å	0.00Å
C8	H14	sing	1.09Å	0.00Å
C8	H15	sing	1.09Å	0.00Å
C9	H16	sing	1.09Å	0.00Å
C9	H17	sing	1.09Å	0.00Å
C10	H18	sing	1.09Å	0.00Å
C10	H19	sing	1.09Å	0.00Å
C11	H20	sing	1.09Å	0.00Å
C11	H21	sing	1.09Å	0.00Å
C12	H22	sing	1.09Å	0.00Å
C12	H23	sing	1.09Å	0.00Å
C13	H24	sing	1.09Å	0.00Å
C13	H25	sing	1.09Å	0.00Å
C14	H26	sing	1.09Å	0.00Å
C14	H27	sing	1.09Å	0.00Å
C15	H28	sing	1.09Å	0.00Å
C15	H29	sing	1.09Å	0.00Å
C16	H30	sing	1.09Å	0.00Å
C16	H31	sing	1.09Å	0.00Å
C17	H32	sing	1.09Å	0.00Å
C17	H33	sing	1.09Å	0.00Å
C18	H34	sing	1.09Å	0.00Å
C18	H35	sing	1.09Å	0.00Å
C19	H36	sing	1.09Å	0.00Å
C19	H37	sing	1.09Å	0.00Å
O3	H38	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C4	C3	112.4°	109.5°
C5	C4	H5	108.8°	109.5°
C5	C4	H6	108.8°	109.5°
C4	C5	H7	124.7°	109.5°
C4	C5	H8	124.6°	109.4°
C4	C5	C6	20.3°	109.5°
C4	C3	C2	112.2°	109.5°
C4	C3	H3	108.8°	109.5°
C4	C3	H4	108.8°	109.5°
C3	C4	H5	108.8°	109.5°
C3	C4	H6	108.7°	109.5°
C3	C2	C1	112.4°	109.5°
C3	C2	H1	108.7°	109.5°
C3	C2	H2	108.7°	109.5°
C2	C3	H3	108.8°	109.5°
C2	C3	H4	108.8°	109.5°
C2	C1	O2	120.0°	120.0°
C2	C1	O1	119.8°	120.0°
C1	C2	H1	108.7°	109.5°
C1	C2	H2	108.7°	109.5°
O2	C1	O1	120.2°	120.0°
C1	O1	H10	109.5°	117.0°
H1	C2	H2	109.5°	109.5°
H3	C3	H4	109.5°	109.5°
H5	C4	H6	109.4°	109.4°
H7	C5	H8	109.4°	109.5°
H7	C5	C6	124.7°	109.5°
H8	C5	C6	124.6°	109.5°
C5	C6	C7	90.0°	109.5°
C5	C6	H9	90.0°	109.5°
C5	C6	H11	90.0°	109.5°
C6	C7	C8	90.0°	109.5°
C7	C6	H9	90.0°	109.4°
C7	C6	H11	90.0°	109.5°
C6	C7	H12	90.0°	109.5°
C6	C7	H13	90.0°	109.5°
C7	C8	C9	90.0°	109.5°
C8	C7	H12	90.0°	109.5°
C8	C7	H13	90.0°	109.5°
C7	C8	H14	90.0°	109.5°
C7	C8	H15	90.0°	109.5°
C8	C9	C10	90.0°	109.5°
C9	C8	H14	90.0°	109.4°
C9	C8	H15	90.0°	109.5°
C8	C9	H16	90.0°	109.4°
C8	C9	H17	90.0°	109.5°
C9	C10	C11	90.0°	109.5°
C10	C9	H16	90.0°	109.5°
C10	C9	H17	90.0°	109.5°
C9	C10	H18	90.0°	109.5°
C9	C10	H19	90.0°	109.5°
C10	C11	C12	90.0°	109.5°
C11	C10	H18	90.0°	109.5°
C11	C10	H19	90.0°	109.5°
C10	C11	H20	90.0°	109.5°
C10	C11	H21	90.0°	109.5°
C11	C12	C13	90.0°	109.5°
C12	C11	H20	90.0°	109.5°
C12	C11	H21	90.0°	109.5°
C11	C12	H22	90.0°	109.5°
C11	C12	H23	90.0°	109.5°
C12	C13	C14	90.0°	109.5°
C13	C12	H22	90.0°	109.5°
C13	C12	H23	90.0°	109.4°
C12	C13	H24	90.0°	109.5°
C12	C13	H25	90.0°	109.4°
C13	C14	C15	90.0°	109.5°
C14	C13	H24	90.0°	109.5°
C14	C13	H25	90.0°	109.5°
C13	C14	H26	90.0°	109.5°
C13	C14	H27	90.0°	109.5°
C14	C15	C16	90.0°	109.5°
C15	C14	H26	90.0°	109.5°
C15	C14	H27	90.0°	109.5°
C14	C15	H28	90.0°	109.5°
C14	C15	H29	90.0°	109.4°
C15	C16	C17	90.0°	109.5°
C16	C15	H28	90.0°	109.5°
C16	C15	H29	90.0°	109.5°
C15	C16	H30	90.0°	109.5°
C15	C16	H31	90.0°	109.5°
C16	C17	C18	90.0°	109.5°
C17	C16	H30	90.0°	109.5°
C17	C16	H31	90.0°	109.5°
C16	C17	H32	90.0°	109.5°
C16	C17	H33	90.0°	109.4°
C17	C18	C19	90.0°	109.5°
C18	C17	H32	90.0°	109.5°
C18	C17	H33	90.0°	109.5°
C17	C18	H34	90.0°	109.5°
C17	C18	H35	90.0°	109.5°
C18	C19	C20	90.0°	109.5°
C19	C18	H34	90.0°	109.4°
C19	C18	H35	90.0°	109.5°
C18	C19	H36	90.0°	109.4°
C18	C19	H37	90.0°	109.5°
C19	C20	O3	90.0°	120.0°
C19	C20	O4	90.0°	120.0°
C20	C19	H36	90.0°	109.4°
C20	C19	H37	90.0°	109.5°
O3	C20	O4	90.0°	120.0°
C20	O3	H38	90.0°	117.0°
H9	C6	H11	90.0°	109.5°
H12	C7	H13	90.0°	109.4°
H14	C8	H15	90.0°	109.4°
H16	C9	H17	90.0°	109.4°
H18	C10	H19	90.0°	109.4°
H20	C11	H21	90.0°	109.4°
H22	C12	H23	90.0°	109.5°
H24	C13	H25	90.0°	109.4°
H26	C14	H27	90.0°	109.4°
H28	C15	H29	90.0°	109.5°
H30	C16	H31	90.0°	109.5°
H32	C17	H33	90.0°	109.4°
H34	C18	H35	90.0°	109.5°
H36	C19	H37	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C4	C3	H5	120.5°	120.0°
C5	C4	C3	H6	120.4°	120.0°
C5	C4	C3	C2	161.6°	180.0°
C5	C4	C3	H3	41.2°	60.0°
C5	C4	C3	H4	78.0°	60.0°
C5	C4	H5	H6	118.7°	120.0°
C4	C5	H7	H8	167.6°	120.0°
C4	C5	H7	C6	24.7°	120.0°
C4	C5	H8	C6	24.7°	120.0°
C4	C5	C6	C7	90.0°	180.0°
C4	C5	C6	H9	90.0°	60.0°
C4	C5	C6	H11	90.0°	60.1°
C4	C3	C2	H3	120.4°	120.0°
C4	C3	C2	H4	120.4°	120.0°
C4	C3	C2	C1	176.6°	180.0°
C4	C3	C2	H1	62.9°	60.0°
C4	C3	C2	H2	56.2°	60.0°
C4	C3	H3	H4	118.8°	120.0°
C3	C4	H5	H6	118.6°	120.0°
C3	C4	C5	H7	49.0°	60.0°
C3	C4	C5	H8	116.8°	60.0°
C3	C4	C5	C6	146.1°	180.0°
C3	C2	C1	H1	120.5°	120.0°
C3	C2	C1	H2	120.4°	120.0°
C3	C2	C1	O2	36.6°	0.0°
C3	C2	C1	O1	143.5°	179.8°
C3	C2	H1	H2	118.6°	120.0°
C2	C3	H3	H4	118.8°	120.0°
C2	C3	C4	H5	78.0°	60.0°
C2	C3	C4	H6	41.1°	60.0°
C2	C1	O2	O1	179.9°	179.8°
C1	C2	H1	H2	118.6°	120.0°
C1	C2	C3	H3	56.2°	60.0°
C1	C2	C3	H4	63.0°	60.0°
C2	C1	O1	H10	179.9°	179.7°
O2	C1	C2	H1	83.8°	120.0°
O2	C1	C2	H2	157.1°	120.0°
O2	C1	O1	H10	0.0°	0.1°
O1	C1	C2	H1	96.1°	59.8°
O1	C1	C2	H2	23.0°	60.3°
H1	C2	C3	H3	176.7°	180.0°
H1	C2	C3	H4	57.5°	60.0°
H2	C2	C3	H3	64.2°	60.0°
H2	C2	C3	H4	176.6°	180.0°
H3	C3	C4	H5	161.6°	180.0°
H3	C3	C4	H6	79.3°	60.0°
H4	C3	C4	H5	42.4°	60.0°
H4	C3	C4	H6	161.5°	NaN°
H5	C4	C5	H7	71.5°	180.0°
H5	C4	C5	H8	122.7°	60.0°
H5	C4	C5	C6	25.6°	60.0°
H6	C4	C5	H7	169.4°	60.0°
H6	C4	C5	H8	3.6°	180.0°
H6	C4	C5	C6	93.5°	60.0°
H7	C5	H8	C6	167.7°	120.0°
H7	C5	C6	C7	90.0°	60.0°
H7	C5	C6	H9	90.0°	180.0°
H7	C5	C6	H11	90.0°	60.0°
H8	C5	C6	C7	90.0°	60.0°
H8	C5	C6	H9	90.0°	59.9°
H8	C5	C6	H11	90.0°	180.0°
C5	C6	C7	H9	90.0°	120.0°
C5	C6	C7	H11	90.0°	120.0°
C5	C6	C7	C8	90.0°	180.0°
C5	C6	H9	H11	90.0°	120.0°
C5	C6	C7	H12	90.0°	60.0°
C5	C6	C7	H13	90.0°	60.0°
C6	C7	C8	H12	90.0°	120.0°
C6	C7	C8	H13	90.0°	120.1°
C6	C7	C8	C9	90.0°	180.0°
C7	C6	H9	H11	90.0°	120.0°
C6	C7	H12	H13	90.0°	120.0°
C6	C7	C8	H14	90.0°	60.0°
C6	C7	C8	H15	90.0°	59.9°
C7	C8	C9	H14	90.0°	120.0°
C7	C8	C9	H15	90.0°	120.1°
C7	C8	C9	C10	90.0°	180.0°
C8	C7	C6	H9	90.0°	60.1°
C8	C7	C6	H11	90.0°	60.0°
C8	C7	H12	H13	90.0°	120.0°
C7	C8	H14	H15	90.0°	120.0°
C7	C8	C9	H16	90.0°	60.0°
C7	C8	C9	H17	90.0°	59.9°
C8	C9	C10	H16	90.0°	120.0°
C8	C9	C10	H17	90.0°	120.1°
C8	C9	C10	C11	90.0°	180.0°
C9	C8	C7	H12	90.0°	60.0°
C9	C8	C7	H13	90.0°	59.9°
C9	C8	H14	H15	90.0°	120.0°
C8	C9	H16	H17	90.0°	120.0°
C8	C9	C10	H18	90.0°	60.0°
C8	C9	C10	H19	90.0°	59.9°
C9	C10	C11	H18	90.0°	120.0°
C9	C10	C11	H19	90.0°	120.1°
C9	C10	C11	C12	90.0°	180.0°
C10	C9	C8	H14	90.0°	60.0°
C10	C9	C8	H15	90.0°	59.9°
C10	C9	H16	H17	90.0°	120.0°
C9	C10	H18	H19	90.0°	120.0°
C9	C10	C11	H20	90.0°	60.0°
C9	C10	C11	H21	90.0°	59.9°
C10	C11	C12	H20	90.0°	120.0°
C10	C11	C12	H21	90.0°	120.0°
C10	C11	C12	C13	90.0°	180.0°
C11	C10	C9	H16	90.0°	60.0°
C11	C10	C9	H17	90.0°	59.9°
C11	C10	H18	H19	90.0°	120.0°
C10	C11	H20	H21	90.0°	120.0°
C10	C11	C12	H22	90.0°	60.0°
C10	C11	C12	H23	90.0°	60.0°
C11	C12	C13	H22	90.0°	120.0°
C11	C12	C13	H23	90.0°	120.0°
C11	C12	C13	C14	90.0°	180.0°
C12	C11	C10	H18	90.0°	60.0°
C12	C11	C10	H19	90.0°	60.0°
C12	C11	H20	H21	90.0°	120.0°
C11	C12	H22	H23	90.0°	120.0°
C11	C12	C13	H24	90.0°	60.0°
C11	C12	C13	H25	90.0°	60.0°
C12	C13	C14	H24	90.0°	120.0°
C12	C13	C14	H25	90.0°	120.0°
C12	C13	C14	C15	90.0°	180.0°
C13	C12	C11	H20	90.0°	60.0°
C13	C12	C11	H21	90.0°	60.0°
C13	C12	H22	H23	90.0°	120.0°
C12	C13	H24	H25	90.0°	120.0°
C12	C13	C14	H26	90.0°	60.0°
C12	C13	C14	H27	90.0°	60.0°
C13	C14	C15	H26	90.0°	120.0°
C13	C14	C15	H27	90.0°	120.0°
C13	C14	C15	C16	90.0°	180.0°
C14	C13	C12	H22	90.0°	60.0°
C14	C13	C12	H23	90.0°	60.0°
C14	C13	H24	H25	90.0°	120.0°
C13	C14	H26	H27	90.0°	120.0°
C13	C14	C15	H28	90.0°	60.0°
C13	C14	C15	H29	90.0°	60.0°
C14	C15	C16	H28	90.0°	120.0°
C14	C15	C16	H29	90.0°	119.9°
C14	C15	C16	C17	90.0°	180.0°
C15	C14	C13	H24	90.0°	60.0°
C15	C14	C13	H25	90.0°	60.0°
C15	C14	H26	H27	90.0°	120.0°
C14	C15	H28	H29	90.0°	120.0°
C14	C15	C16	H30	90.0°	60.0°
C14	C15	C16	H31	90.0°	60.0°
C15	C16	C17	H30	90.0°	120.0°
C15	C16	C17	H31	90.0°	120.0°
C15	C16	C17	C18	90.0°	180.0°
C16	C15	C14	H26	90.0°	60.0°
C16	C15	C14	H27	90.0°	60.0°
C16	C15	H28	H29	90.0°	120.0°
C15	C16	H30	H31	90.0°	120.0°
C15	C16	C17	H32	90.0°	59.9°
C15	C16	C17	H33	90.0°	60.0°
C16	C17	C18	H32	90.0°	120.1°
C16	C17	C18	H33	90.0°	120.0°
C16	C17	C18	C19	90.0°	180.0°
C17	C16	C15	H28	90.0°	60.0°
C17	C16	C15	H29	90.0°	60.1°
C17	C16	H30	H31	90.0°	120.0°
C16	C17	H32	H33	90.0°	120.0°
C16	C17	C18	H34	90.0°	60.0°
C16	C17	C18	H35	90.0°	60.0°
C17	C18	C19	H34	90.0°	120.0°
C17	C18	C19	H35	90.0°	120.0°
C17	C18	C19	C20	90.0°	180.0°
C18	C17	C16	H30	90.0°	60.0°
C18	C17	C16	H31	90.0°	60.0°
C18	C17	H32	H33	90.0°	120.0°
C17	C18	H34	H35	90.0°	120.0°
C17	C18	C19	H36	90.0°	60.0°
C17	C18	C19	H37	90.0°	60.0°
C18	C19	C20	H36	90.0°	119.9°
C18	C19	C20	H37	90.0°	120.0°
C18	C19	C20	O3	90.0°	180.0°
C18	C19	C20	O4	90.0°	0.1°
C19	C18	C17	H32	90.0°	60.0°
C19	C18	C17	H33	90.0°	60.0°
C19	C18	H34	H35	90.0°	120.0°
C18	C19	H36	H37	90.0°	120.0°
C19	C20	O3	O4	90.0°	179.9°
C20	C19	C18	H34	90.0°	60.1°
C20	C19	C18	H35	90.0°	59.9°
C20	C19	H36	H37	90.0°	120.0°
C19	C20	O3	H38	90.0°	180.0°
O3	C20	C19	H36	90.0°	60.1°
O3	C20	C19	H37	90.0°	59.9°
O4	C20	C19	H36	90.0°	120.0°
O4	C20	C19	H37	90.0°	120.0°
O4	C20	O3	H38	90.0°	0.1°
H9	C6	C7	H12	90.0°	180.0°
H9	C6	C7	H13	90.0°	60.0°
H11	C6	C7	H12	90.0°	60.0°
H11	C6	C7	H13	90.0°	180.0°
H12	C7	C8	H14	90.0°	180.0°
H12	C7	C8	H15	90.0°	60.0°
H13	C7	C8	H14	90.0°	60.0°
H13	C7	C8	H15	90.0°	180.0°
H14	C8	C9	H16	90.0°	180.0°
H14	C8	C9	H17	90.0°	60.1°
H15	C8	C9	H16	90.0°	60.1°
H15	C8	C9	H17	90.0°	180.0°
H16	C9	C10	H18	90.0°	180.0°
H16	C9	C10	H19	90.0°	60.0°
H17	C9	C10	H18	90.0°	60.0°
H17	C9	C10	H19	90.0°	180.0°
H18	C10	C11	H20	90.0°	180.0°
H18	C10	C11	H21	90.0°	60.0°
H19	C10	C11	H20	90.0°	60.0°
H19	C10	C11	H21	90.0°	180.0°
H20	C11	C12	H22	90.0°	180.0°
H20	C11	C12	H23	90.0°	60.0°
H21	C11	C12	H22	90.0°	60.0°
H21	C11	C12	H23	90.0°	180.0°
H22	C12	C13	H24	90.0°	180.0°
H22	C12	C13	H25	90.0°	60.1°
H23	C12	C13	H24	90.0°	60.0°
H23	C12	C13	H25	90.0°	180.0°
H24	C13	C14	H26	90.0°	180.0°
H24	C13	C14	H27	90.0°	60.0°
H25	C13	C14	H26	90.0°	60.0°
H25	C13	C14	H27	90.0°	180.0°
H26	C14	C15	H28	90.0°	180.0°
H26	C14	C15	H29	90.0°	60.0°
H27	C14	C15	H28	90.0°	60.0°
H27	C14	C15	H29	90.0°	180.0°
H28	C15	C16	H30	90.0°	180.0°
H28	C15	C16	H31	90.0°	60.0°
H29	C15	C16	H30	90.0°	59.9°
H29	C15	C16	H31	90.0°	180.0°
H30	C16	C17	H32	90.0°	179.9°
H30	C16	C17	H33	90.0°	60.0°
H31	C16	C17	H32	90.0°	60.1°
H31	C16	C17	H33	90.0°	180.0°
H32	C17	C18	H34	90.0°	179.9°
H32	C17	C18	H35	90.0°	60.1°
H33	C17	C18	H34	90.0°	60.0°
H33	C17	C18	H35	90.0°	180.0°
H34	C18	C19	H36	90.0°	180.0°
H34	C18	C19	H37	90.0°	60.0°
H35	C18	C19	H36	90.0°	60.0°
H35	C18	C19	H37	90.0°	180.0°

Release date:	2025-04-23
Definition date:	2025-04-15
Last modified:	2025-04-18
Release status:	REL
Processing site:	RCSB
Derived from:	9BP3