5A2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O32	PA2	doub	1.48Å	1.48Å
O22	PA2	sing	1.61Å	1.47Å
O21	PA1	doub	1.48Å	1.48Å
PA2	O42	sing	1.61Å	1.47Å
PA2	O12	sing	1.61Å	1.60Å
O41	PA1	sing	1.61Å	1.47Å
PA1	O11	sing	1.61Å	1.62Å
PA1	O31	sing	1.61Å	1.49Å
O33	PA3	doub	1.48Å	1.48Å
O53	PB3	doub	1.48Å	1.47Å
O11	C1	sing	1.43Å	1.45Å
O12	C2	sing	1.43Å	1.45Å
C2	C1	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.54Å
PA3	O23	sing	1.61Å	1.63Å
PA3	O13	sing	1.61Å	1.64Å
PA3	C3B	sing	1.82Å	1.81Å
C1	C6	sing	1.53Å	1.54Å
O36	PA6	doub	1.48Å	1.47Å
PB3	O63	sing	1.61Å	1.47Å
PB3	C3B	sing	1.82Å	1.77Å
PB3	O73	sing	1.61Å	1.48Å
O13	C3	sing	1.43Å	1.44Å
C3	C4	sing	1.53Å	1.54Å
C6	O16	sing	1.43Å	1.43Å
C6	C5	sing	1.53Å	1.53Å
O46	PA6	sing	1.61Å	1.47Å
PA6	O16	sing	1.61Å	1.60Å
PA6	O26	sing	1.61Å	1.48Å
C4	C5	sing	1.53Å	1.52Å
C4	O14	sing	1.43Å	1.43Å
O34	PA4	doub	1.48Å	1.61Å
C5	O15	sing	1.43Å	1.44Å
O14	PA4	sing	1.61Å	1.62Å
O24	PA4	sing	1.61Å	1.48Å
O15	PA5	sing	1.61Å	1.62Å
PA4	O44	sing	1.61Å	1.47Å
O65	PB5	doub	1.48Å	1.48Å
PA5	O25	doub	1.48Å	1.48Å
PA5	O35	sing	1.61Å	1.48Å
PA5	C5B	sing	1.82Å	1.81Å
PB5	C5B	sing	1.82Å	1.82Å
PB5	O55	sing	1.61Å	1.48Å
PB5	O75	sing	1.61Å	1.48Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
O55	H7	sing	0.97Å	0.95Å
O75	H8	sing	0.97Å	0.95Å
C5B	H9	sing	1.09Å	1.10Å
C5B	H10	sing	1.09Å	1.10Å
O35	H11	sing	0.97Å	0.95Å
O44	H12	sing	0.97Å	0.95Å
O24	H13	sing	0.97Å	0.95Å
O46	H14	sing	0.97Å	0.95Å
O26	H15	sing	0.97Å	0.95Å
O41	H16	sing	0.97Å	0.95Å
O31	H17	sing	0.97Å	0.95Å
O42	H18	sing	0.97Å	0.95Å
O22	H19	sing	0.97Å	0.95Å
O23	H20	sing	0.97Å	0.95Å
C3B	H21	sing	1.09Å	1.10Å
C3B	H22	sing	1.09Å	1.10Å
O63	H23	sing	0.97Å	0.95Å
O73	H24	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O32	PA2	O22	114.0°	109.5°
O32	PA2	O42	113.5°	109.5°
O32	PA2	O12	104.6°	109.4°
O22	PA2	O42	117.3°	109.5°
O22	PA2	O12	101.4°	109.5°
PA2	O22	H19	109.5°	114.0°
O21	PA1	O41	116.2°	109.5°
O21	PA1	O11	103.5°	109.5°
O21	PA1	O31	113.7°	109.5°
O42	PA2	O12	103.6°	109.5°
PA2	O42	H18	109.5°	114.0°
PA2	O12	C2	124.9°	123.0°
O41	PA1	O11	105.0°	109.5°
O41	PA1	O31	113.5°	109.4°
PA1	O41	H16	109.5°	114.0°
O11	PA1	O31	103.0°	109.5°
PA1	O11	C1	123.3°	123.0°
PA1	O31	H17	109.5°	114.0°
O33	PA3	O23	110.8°	109.5°
O33	PA3	O13	111.4°	109.5°
O33	PA3	C3B	114.4°	109.5°
O53	PB3	O63	116.3°	109.5°
O53	PB3	C3B	105.2°	109.5°
O53	PB3	O73	113.6°	109.4°
O11	C1	C2	109.1°	109.4°
O11	C1	C6	109.2°	109.5°
O11	C1	H1	109.8°	109.4°
O12	C2	C1	109.3°	109.5°
O12	C2	C3	110.0°	109.4°
O12	C2	H2	109.9°	109.5°
C1	C2	C3	110.3°	109.4°
C2	C1	C6	111.3°	109.5°
C2	C1	H1	108.7°	109.5°
C1	C2	H2	108.7°	109.5°
C2	C3	O13	109.9°	109.4°
C2	C3	C4	110.1°	109.5°
C3	C2	H2	108.6°	109.5°
C2	C3	H3	108.5°	109.5°
O23	PA3	O13	107.6°	109.5°
O23	PA3	C3B	107.3°	109.5°
PA3	O23	H20	109.5°	114.0°
O13	PA3	C3B	104.8°	109.4°
PA3	O13	C3	122.5°	123.0°
PA3	C3B	PB3	111.2°	109.5°
PA3	C3B	H21	109.0°	109.4°
PA3	C3B	H22	109.0°	109.5°
C1	C6	O16	109.2°	109.5°
C1	C6	C5	112.6°	109.4°
C6	C1	H1	108.7°	109.5°
C1	C6	H6	108.6°	109.5°
O36	PA6	O46	116.0°	109.5°
O36	PA6	O16	103.5°	109.4°
O36	PA6	O26	114.4°	109.5°
O63	PB3	C3B	102.8°	109.5°
O63	PB3	O73	114.6°	109.5°
PB3	O63	H23	109.5°	114.1°
C3B	PB3	O73	102.1°	109.5°
PB3	C3B	H21	109.0°	109.5°
PB3	C3B	H22	109.1°	109.5°
PB3	O73	H24	109.5°	114.0°
O13	C3	C4	109.9°	109.5°
O13	C3	H3	109.9°	109.5°
C3	C4	C5	110.1°	109.5°
C3	C4	O14	110.1°	109.5°
C4	C3	H3	108.6°	109.5°
C3	C4	H4	109.0°	109.5°
O16	C6	C5	107.6°	109.5°
C6	O16	PA6	122.4°	123.0°
O16	C6	H6	110.1°	109.5°
C6	C5	C4	111.8°	109.5°
C6	C5	O15	109.3°	109.4°
C6	C5	H5	108.3°	109.5°
C5	C6	H6	108.7°	109.5°
O46	PA6	O16	106.1°	109.5°
O46	PA6	O26	114.6°	109.5°
PA6	O46	H14	109.5°	114.0°
O16	PA6	O26	99.8°	109.5°
PA6	O26	H15	109.5°	114.0°
C5	C4	O14	108.0°	109.4°
C4	C5	O15	109.3°	109.5°
C5	C4	H4	109.2°	109.5°
C4	C5	H5	108.5°	109.5°
C4	O14	PA4	123.9°	123.0°
O14	C4	H4	110.5°	109.4°
O34	PA4	O14	106.0°	109.4°
O34	PA4	O24	108.7°	109.4°
O34	PA4	O44	108.1°	109.5°
C5	O15	PA5	121.8°	123.0°
O15	C5	H5	109.6°	109.5°
O14	PA4	O24	106.8°	109.5°
O14	PA4	O44	108.0°	109.5°
O24	PA4	O44	118.5°	109.5°
PA4	O24	H13	109.5°	114.0°
O15	PA5	O25	107.4°	109.5°
O15	PA5	O35	108.9°	109.5°
O15	PA5	C5B	102.3°	109.5°
PA4	O44	H12	109.5°	114.0°
O65	PB5	C5B	108.2°	109.5°
O65	PB5	O55	108.9°	109.4°
O65	PB5	O75	119.7°	109.5°
O25	PA5	O35	119.8°	109.5°
O25	PA5	C5B	108.5°	109.5°
O35	PA5	C5B	108.6°	109.5°
PA5	O35	H11	109.5°	114.1°
PA5	C5B	PB5	110.3°	109.4°
PA5	C5B	H9	109.3°	109.4°
PA5	C5B	H10	109.3°	109.4°
C5B	PB5	O55	102.4°	109.4°
C5B	PB5	O75	107.8°	109.5°
PB5	C5B	H9	109.3°	109.5°
PB5	C5B	H10	109.3°	109.5°
O55	PB5	O75	108.5°	109.4°
PB5	O55	H7	109.5°	114.0°
PB5	O75	H8	109.5°	114.0°
H9	C5B	H10	109.4°	109.5°
H21	C3B	H22	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O32	PA2	O22	O42	136.3°	120.0°
O32	PA2	O22	O12	111.8°	120.0°
O32	PA2	O42	O12	112.8°	120.0°
O32	PA2	O12	C2	30.1°	55.0°
O32	PA2	O42	H18	0.0°	180.0°
O32	PA2	O22	H19	0.0°	60.1°
O22	PA2	O42	O12	110.7°	120.0°
O22	PA2	O12	C2	149.0°	175.0°
O22	PA2	O42	H18	136.5°	60.0°
O21	PA1	O41	O11	113.7°	120.0°
O21	PA1	O41	O31	134.5°	120.0°
O21	PA1	O11	O31	118.6°	120.0°
O21	PA1	O11	C1	171.4°	55.0°
O21	PA1	O41	H16	0.0°	179.9°
O21	PA1	O31	H17	0.0°	60.0°
O42	PA2	O12	C2	89.0°	65.0°
O42	PA2	O22	H19	136.3°	59.9°
PA2	O12	C2	C1	121.7°	120.1°
PA2	O12	C2	C3	117.0°	120.0°
PA2	O12	C2	H2	2.5°	0.0°
O12	PA2	O42	H18	112.8°	60.0°
O12	PA2	O22	H19	111.8°	180.0°
O41	PA1	O11	O31	119.1°	120.0°
O41	PA1	O11	C1	49.1°	65.0°
O41	PA1	O31	H17	135.7°	60.0°
PA1	O11	C1	C2	118.0°	120.0°
PA1	O11	C1	C6	120.2°	120.0°
PA1	O11	C1	H1	1.1°	0.0°
O11	PA1	O41	H16	113.7°	60.0°
O11	PA1	O31	H17	111.3°	180.0°
O31	PA1	O11	C1	70.0°	175.0°
O31	PA1	O41	H16	134.6°	60.0°
O33	PA3	O23	O13	122.1°	120.0°
O33	PA3	O23	C3B	125.6°	120.0°
O33	PA3	O13	C3B	124.3°	120.0°
O33	PA3	C3B	PB3	49.9°	60.0°
O33	PA3	O13	C3	105.2°	55.1°
O33	PA3	O23	H20	0.0°	180.0°
O33	PA3	C3B	H21	70.3°	180.0°
O33	PA3	C3B	H22	170.2°	60.0°
O53	PB3	C3B	PA3	29.2°	60.0°
O53	PB3	O63	C3B	114.3°	120.0°
O53	PB3	O63	O73	135.8°	120.0°
O53	PB3	C3B	O73	118.8°	120.0°
O53	PB3	C3B	H21	91.0°	60.0°
O53	PB3	C3B	H22	149.5°	180.0°
O53	PB3	O63	H23	0.0°	60.0°
O53	PB3	O73	H24	0.0°	180.0°
O11	C1	C2	O12	54.4°	60.1°
O11	C1	C2	C6	120.5°	120.0°
O11	C1	C2	H1	119.8°	120.0°
O11	C1	C2	C3	175.5°	180.0°
O11	C1	C6	H1	119.8°	120.0°
O11	C1	C6	O16	68.2°	60.0°
O11	C1	C6	C5	172.4°	180.0°
O11	C1	C2	H2	65.6°	60.0°
O11	C1	C6	H6	52.0°	60.0°
O12	C2	C1	C3	121.1°	119.9°
O12	C2	C1	H2	120.0°	120.0°
O12	C2	C3	H2	120.3°	120.0°
O12	C2	C1	C6	66.1°	59.9°
O12	C2	C3	O13	59.6°	60.0°
O12	C2	C3	C4	61.5°	60.0°
O12	C2	C1	H1	174.1°	180.0°
O12	C2	C3	H3	179.8°	180.0°
C1	C2	C3	H2	119.0°	120.0°
C2	C1	C6	H1	119.8°	120.1°
C1	C2	C3	O13	179.6°	180.0°
C1	C2	C3	C4	59.2°	60.0°
C2	C1	C6	O16	171.4°	180.0°
C2	C1	C6	C5	52.0°	60.0°
C1	C2	C3	H3	59.5°	60.0°
C2	C1	C6	H6	68.5°	60.0°
C2	C3	O13	PA3	83.5°	120.0°
C3	C2	C1	C6	55.0°	60.0°
C2	C3	O13	C4	121.3°	120.0°
C2	C3	O13	H3	119.3°	120.0°
C2	C3	C4	H3	118.6°	120.0°
C2	C3	C4	C5	59.6°	60.1°
C2	C3	C4	O14	178.5°	180.0°
C3	C2	C1	H1	64.7°	60.1°
C2	C3	C4	H4	60.2°	60.0°
O23	PA3	O13	C3B	114.0°	120.0°
O23	PA3	C3B	PB3	173.4°	60.0°
O23	PA3	O13	C3	16.5°	65.0°
O23	PA3	C3B	H21	53.1°	60.0°
O23	PA3	C3B	H22	66.4°	180.0°
O13	PA3	C3B	PB3	72.4°	180.0°
PA3	O13	C3	C4	155.2°	120.0°
PA3	O13	C3	H3	35.8°	0.1°
O13	PA3	O23	H20	122.1°	60.0°
O13	PA3	C3B	H21	167.4°	60.0°
O13	PA3	C3B	H22	47.9°	60.0°
PA3	C3B	PB3	O63	151.4°	180.0°
PA3	C3B	PB3	H21	120.2°	120.0°
PA3	C3B	PB3	H22	120.3°	120.0°
PA3	C3B	PB3	O73	89.6°	60.0°
C3B	PA3	O13	C3	130.5°	175.0°
C3B	PA3	O23	H20	125.6°	60.0°
PA3	C3B	H21	H22	119.2°	120.0°
C1	C6	O16	C5	122.5°	120.0°
C1	C6	O16	H6	119.2°	120.0°
C1	C6	C5	H6	120.4°	120.0°
C1	C6	O16	PA6	115.3°	120.0°
C1	C6	C5	C4	52.8°	60.0°
C1	C6	C5	O15	173.9°	180.0°
C6	C1	C2	H2	173.9°	180.0°
C1	C6	C5	H5	66.8°	60.0°
O36	PA6	O16	C6	92.5°	55.1°
O36	PA6	O46	O16	114.2°	120.0°
O36	PA6	O46	O26	136.7°	120.0°
O36	PA6	O16	O26	118.2°	120.0°
O36	PA6	O46	H14	0.0°	60.0°
O36	PA6	O26	H15	0.0°	180.0°
O63	PB3	C3B	O73	119.1°	120.0°
O63	PB3	C3B	H21	31.1°	60.0°
O63	PB3	C3B	H22	88.4°	60.0°
O63	PB3	O73	H24	137.0°	60.0°
PB3	C3B	H21	H22	119.2°	120.0°
C3B	PB3	O63	H23	114.3°	180.0°
C3B	PB3	O73	H24	112.6°	60.0°
O73	PB3	C3B	H21	150.2°	180.0°
O73	PB3	C3B	H22	30.7°	60.0°
O73	PB3	O63	H23	135.8°	60.0°
O13	C3	C4	H3	120.2°	120.0°
O13	C3	C4	C5	179.2°	180.0°
O13	C3	C4	O14	60.3°	60.0°
O13	C3	C2	H2	60.7°	60.0°
O13	C3	C4	H4	61.0°	59.9°
C3	C4	C5	C6	56.2°	60.0°
C3	C4	C5	O14	120.1°	120.0°
C3	C4	C5	H4	119.7°	120.1°
C3	C4	O14	H4	120.5°	120.0°
C3	C4	C5	O15	177.3°	180.0°
C3	C4	O14	PA4	105.8°	120.0°
C4	C3	C2	H2	178.1°	180.0°
C3	C4	C5	H5	63.2°	60.0°
O16	C6	C5	H6	119.3°	120.0°
C6	O16	PA6	O46	30.0°	175.0°
C6	O16	PA6	O26	149.3°	65.0°
O16	C6	C5	C4	173.1°	179.9°
O16	C6	C5	O15	65.8°	60.0°
O16	C6	C1	H1	51.6°	60.0°
O16	C6	C5	H5	53.6°	60.0°
C5	C6	O16	PA6	122.2°	120.0°
C6	C5	C4	O15	121.1°	120.0°
C6	C5	C4	H5	119.4°	120.0°
C6	C5	C4	O14	176.4°	180.0°
C6	C5	O15	H5	118.6°	120.0°
C6	C5	O15	PA5	111.2°	120.0°
C5	C6	C1	H1	67.8°	60.1°
C6	C5	C4	H4	63.5°	60.0°
O46	PA6	O16	O26	119.3°	120.0°
O46	PA6	O26	H15	137.3°	60.0°
PA6	O16	C6	H6	3.8°	0.0°
O16	PA6	O46	H14	114.2°	180.0°
O16	PA6	O26	H15	109.8°	60.0°
O26	PA6	O46	H14	136.7°	60.0°
C5	C4	O14	H4	119.4°	120.0°
C4	C5	O15	H5	118.8°	120.1°
C5	C4	O14	PA4	134.1°	120.1°
C4	C5	O15	PA5	126.2°	120.0°
C5	C4	C3	H3	59.0°	60.0°
C4	C5	C6	H6	67.6°	60.0°
C4	O14	PA4	O34	3.2°	55.1°
O14	C4	C5	O15	62.6°	60.0°
C4	O14	PA4	O24	112.6°	175.0°
C4	O14	PA4	O44	118.9°	64.9°
O14	C4	C3	H3	59.8°	60.0°
O14	C4	C5	H5	56.9°	60.0°
O34	PA4	O14	O24	115.8°	119.9°
O34	PA4	O14	O44	115.7°	120.0°
O34	PA4	O24	O44	123.9°	120.0°
O34	PA4	O44	H12	0.0°	179.9°
O34	PA4	O24	H13	0.0°	60.0°
C5	O15	PA5	O25	134.1°	55.0°
C5	O15	PA5	O35	3.1°	65.0°
C5	O15	PA5	C5B	111.8°	175.0°
O15	C5	C4	H4	57.6°	59.9°
O15	C5	C6	H6	53.5°	60.0°
O14	PA4	O24	O44	122.1°	120.1°
PA4	O14	C4	H4	14.7°	0.0°
O14	PA4	O44	H12	114.3°	60.1°
O14	PA4	O24	H13	114.0°	180.0°
O24	PA4	O44	H12	124.2°	60.0°
O15	PA5	O25	O35	124.7°	120.0°
O15	PA5	O25	C5B	109.9°	120.0°
O15	PA5	O35	C5B	110.7°	120.0°
O15	PA5	C5B	PB5	73.4°	180.0°
PA5	O15	C5	H5	7.4°	0.0°
O15	PA5	C5B	H9	46.8°	60.0°
O15	PA5	C5B	H10	166.5°	60.0°
O15	PA5	O35	H11	124.0°	60.0°
O44	PA4	O24	H13	123.9°	60.0°
O65	PB5	C5B	PA5	54.0°	60.0°
O65	PB5	C5B	O55	114.9°	120.0°
O65	PB5	C5B	O75	130.8°	120.1°
O65	PB5	O55	O75	131.8°	120.0°
O65	PB5	O55	H7	0.0°	60.0°
O65	PB5	O75	H8	0.0°	180.0°
O65	PB5	C5B	H9	66.2°	180.0°
O65	PB5	C5B	H10	174.1°	59.9°
O25	PA5	O35	C5B	125.3°	120.0°
O25	PA5	C5B	PB5	39.9°	60.0°
O25	PA5	C5B	H9	160.1°	180.0°
O25	PA5	C5B	H10	80.2°	60.0°
O25	PA5	O35	H11	0.0°	180.0°
O35	PA5	C5B	PB5	171.6°	60.0°
O35	PA5	C5B	H9	68.2°	60.0°
O35	PA5	C5B	H10	51.5°	180.0°
PA5	C5B	PB5	H9	120.1°	120.0°
PA5	C5B	PB5	H10	120.1°	120.0°
PA5	C5B	PB5	O55	168.8°	180.0°
PA5	C5B	PB5	O75	76.9°	60.0°
PA5	C5B	H9	H10	119.6°	120.0°
C5B	PA5	O35	H11	125.3°	60.0°
C5B	PB5	O55	O75	113.8°	120.0°
C5B	PB5	O55	H7	114.4°	180.0°
C5B	PB5	O75	H8	124.1°	59.9°
PB5	C5B	H9	H10	119.6°	120.1°
O55	PB5	O75	H8	125.7°	60.0°
O55	PB5	C5B	H9	48.7°	60.0°
O55	PB5	C5B	H10	71.1°	60.0°
O75	PB5	O55	H7	131.8°	60.0°
O75	PB5	C5B	H9	163.0°	59.9°
O75	PB5	C5B	H10	43.3°	180.0°
H1	C1	C2	H2	54.2°	60.0°
H1	C1	C6	H6	171.8°	180.0°
H2	C2	C3	H3	59.5°	60.0°
H3	C3	C4	H4	178.8°	179.9°
H4	C4	C5	H5	177.1°	180.0°
H5	C5	C6	H6	172.9°	NaN°

Release date:	2016-08-10
Definition date:	2015-08-28
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	5DGI