VEB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O43	PA3	doub	1.48Å	1.52Å
O33	PA3	sing	1.61Å	1.52Å
O31	PA1	doub	1.48Å	1.52Å
O51	PB1	doub	1.48Å	1.52Å
PA3	O23	sing	1.61Å	1.52Å
PA3	O13	sing	1.61Å	1.59Å
CB1	PA1	sing	1.82Å	1.80Å
CB1	PB1	sing	1.82Å	1.80Å
PA1	O21	sing	1.61Å	1.52Å
PA1	O11	sing	1.61Å	1.60Å
PB1	O61	sing	1.61Å	1.52Å
PB1	O71	sing	1.61Å	1.52Å
O24	PA4	doub	1.48Å	1.52Å
O13	C3	sing	1.43Å	1.46Å
C3	C2	sing	1.53Å	1.52Å
C3	C4	sing	1.53Å	1.52Å
O14	C4	sing	1.43Å	1.47Å
O14	PA4	sing	1.61Å	1.59Å
O35	PA5	doub	1.48Å	1.53Å
O22	PA2	doub	1.48Å	1.52Å
C2	C1	sing	1.53Å	1.52Å
C2	O12	sing	1.43Å	1.47Å
C1	O11	sing	1.43Å	1.46Å
C1	C6	sing	1.53Å	1.51Å
C4	C5	sing	1.53Å	1.52Å
PA4	O34	sing	1.61Å	1.52Å
PA4	O44	sing	1.61Å	1.52Å
C5	C6	sing	1.53Å	1.52Å
C5	O15	sing	1.43Å	1.45Å
C6	O16	sing	1.43Å	1.47Å
O16	PA6	sing	1.61Å	1.60Å
O12	PA2	sing	1.61Å	1.60Å
PA2	O42	sing	1.61Å	1.52Å
PA2	O32	sing	1.61Å	1.52Å
PA5	O15	sing	1.61Å	1.59Å
PA5	O45	sing	1.61Å	1.52Å
PA5	O25	sing	1.61Å	1.51Å
O26	PA6	doub	1.48Å	1.53Å
PA6	O36	sing	1.61Å	1.52Å
PA6	O46	sing	1.61Å	1.52Å
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
CB1	H7	sing	1.09Å	1.10Å
CB1	H8	sing	1.09Å	1.10Å
O21	H9	sing	0.97Å	0.95Å
O23	H10	sing	0.97Å	0.95Å
O25	H11	sing	0.97Å	0.95Å
O32	H12	sing	0.97Å	0.95Å
O33	H13	sing	0.97Å	0.95Å
O34	H14	sing	0.97Å	0.95Å
O36	H15	sing	0.97Å	0.95Å
O42	H16	sing	0.97Å	0.95Å
O44	H17	sing	0.97Å	0.95Å
O45	H18	sing	0.97Å	0.95Å
O46	H19	sing	0.97Å	0.95Å
O71	H20	sing	0.97Å	0.95Å
O61	H21	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O43	PA3	O33	111.7°	109.5°
O43	PA3	O23	111.6°	109.5°
O43	PA3	O13	110.6°	109.5°
O33	PA3	O23	112.0°	109.5°
O33	PA3	O13	104.5°	109.5°
PA3	O33	H13	109.5°	114.0°
O31	PA1	CB1	103.6°	109.5°
O31	PA1	O21	112.3°	109.5°
O31	PA1	O11	116.8°	109.5°
O51	PB1	CB1	103.3°	109.5°
O51	PB1	O61	112.4°	109.5°
O51	PB1	O71	112.4°	109.5°
O23	PA3	O13	106.0°	109.5°
PA3	O23	H10	109.5°	114.0°
PA3	O13	C3	112.4°	123.0°
PA1	CB1	PB1	117.7°	109.5°
CB1	PA1	O21	108.4°	109.5°
CB1	PA1	O11	104.2°	109.5°
PA1	CB1	H7	107.4°	109.4°
PA1	CB1	H8	107.4°	109.4°
CB1	PB1	O61	105.0°	109.5°
CB1	PB1	O71	110.6°	109.5°
PB1	CB1	H7	107.4°	109.5°
PB1	CB1	H8	107.4°	109.5°
O21	PA1	O11	110.7°	109.5°
PA1	O21	H9	109.5°	114.0°
PA1	O11	C1	104.8°	123.0°
O61	PB1	O71	112.5°	109.5°
PB1	O61	H21	109.5°	114.0°
PB1	O71	H20	109.5°	114.0°
O24	PA4	O14	103.3°	109.4°
O24	PA4	O34	111.8°	109.5°
O24	PA4	O44	111.8°	109.5°
O13	C3	C2	110.4°	109.4°
O13	C3	C4	109.5°	109.5°
O13	C3	H3	108.6°	109.5°
C2	C3	C4	112.5°	109.5°
C3	C2	C1	106.7°	109.5°
C3	C2	O12	110.7°	109.5°
C3	C2	H2	109.1°	109.5°
C2	C3	H3	107.9°	109.5°
C3	C4	O14	106.6°	109.5°
C3	C4	C5	112.4°	109.5°
C4	C3	H3	107.8°	109.4°
C3	C4	H4	110.1°	109.4°
C4	O14	PA4	118.6°	123.0°
O14	C4	C5	106.6°	109.5°
O14	C4	H4	110.9°	109.5°
O14	PA4	O34	106.0°	109.5°
O14	PA4	O44	111.1°	109.5°
O35	PA5	O15	111.5°	109.4°
O35	PA5	O45	112.5°	109.5°
O35	PA5	O25	112.2°	109.5°
O22	PA2	O12	109.2°	109.4°
O22	PA2	O42	111.5°	109.4°
O22	PA2	O32	111.6°	109.5°
C1	C2	O12	111.2°	109.5°
C2	C1	O11	112.4°	109.5°
C2	C1	C6	111.6°	109.5°
C2	C1	H1	106.2°	109.5°
C1	C2	H2	109.2°	109.5°
C2	O12	PA2	114.3°	123.0°
O12	C2	H2	109.8°	109.4°
O11	C1	C6	113.0°	109.4°
O11	C1	H1	106.8°	109.5°
C1	C6	C5	106.1°	109.5°
C1	C6	O16	109.5°	109.5°
C6	C1	H1	106.2°	109.4°
C1	C6	H6	111.0°	109.4°
C4	C5	C6	112.7°	109.5°
C4	C5	O15	109.3°	109.5°
C5	C4	H4	110.1°	109.5°
C4	C5	H5	108.1°	109.4°
O34	PA4	O44	112.3°	109.5°
PA4	O34	H14	109.5°	114.0°
PA4	O44	H17	109.5°	114.0°
C6	C5	O15	109.3°	109.5°
C5	C6	O16	107.4°	109.5°
C6	C5	H5	108.2°	109.5°
C5	C6	H6	111.0°	109.5°
C5	O15	PA5	112.5°	123.0°
O15	C5	H5	109.1°	109.5°
C6	O16	PA6	122.5°	123.0°
O16	C6	H6	111.7°	109.5°
O16	PA6	O26	104.3°	109.5°
O16	PA6	O36	106.6°	109.5°
O16	PA6	O46	110.0°	109.5°
O12	PA2	O42	105.7°	109.5°
O12	PA2	O32	106.6°	109.5°
O42	PA2	O32	111.9°	109.5°
PA2	O42	H16	109.5°	114.0°
PA2	O32	H12	109.5°	114.0°
O15	PA5	O45	104.1°	109.5°
O15	PA5	O25	105.1°	109.4°
O45	PA5	O25	110.9°	109.5°
PA5	O45	H18	109.5°	113.9°
PA5	O25	H11	109.5°	114.0°
O26	PA6	O36	111.4°	109.4°
O26	PA6	O46	111.8°	109.4°
O36	PA6	O46	112.3°	109.5°
PA6	O36	H15	109.5°	114.0°
PA6	O46	H19	109.5°	114.0°
H7	CB1	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O43	PA3	O33	O23	126.1°	120.0°
O43	PA3	O33	O13	119.6°	120.0°
O43	PA3	O23	O13	120.4°	120.0°
O43	PA3	O13	C3	0.1°	55.0°
O43	PA3	O23	H10	0.0°	60.0°
O43	PA3	O33	H13	0.0°	180.0°
O33	PA3	O23	O13	113.4°	120.0°
O33	PA3	O13	C3	120.3°	65.0°
O33	PA3	O23	H10	126.1°	60.0°
O31	PA1	CB1	O21	119.5°	120.0°
O31	PA1	CB1	O11	122.6°	120.0°
O31	PA1	CB1	PB1	147.4°	60.0°
O31	PA1	O21	O11	132.4°	120.0°
O31	PA1	O11	C1	30.8°	55.0°
O31	PA1	CB1	H7	26.2°	60.0°
O31	PA1	CB1	H8	91.4°	180.0°
O31	PA1	O21	H9	0.0°	180.0°
O51	PB1	CB1	PA1	149.4°	60.0°
O51	PB1	CB1	O61	118.0°	120.0°
O51	PB1	CB1	O71	120.4°	120.0°
O51	PB1	O61	O71	128.0°	120.0°
O51	PB1	CB1	H7	28.3°	180.0°
O51	PB1	CB1	H8	89.4°	60.0°
O51	PB1	O71	H20	0.0°	180.0°
O51	PB1	O61	H21	0.0°	60.0°
O23	PA3	O13	C3	121.2°	175.0°
O23	PA3	O33	H13	126.1°	60.0°
PA3	O13	C3	C2	119.0°	120.0°
PA3	O13	C3	C4	116.6°	120.0°
PA3	O13	C3	H3	0.9°	0.0°
O13	PA3	O23	H10	120.4°	180.0°
O13	PA3	O33	H13	119.6°	60.0°
PA1	CB1	PB1	H7	121.1°	120.0°
PA1	CB1	PB1	H8	121.2°	120.0°
CB1	PA1	O21	O11	113.7°	120.0°
PA1	CB1	PB1	O61	31.4°	180.0°
PA1	CB1	PB1	O71	90.2°	60.0°
CB1	PA1	O11	C1	144.3°	175.0°
PA1	CB1	H7	H8	116.3°	119.9°
CB1	PA1	O21	H9	113.9°	60.0°
PB1	CB1	PA1	O21	27.9°	60.0°
PB1	CB1	PA1	O11	90.0°	180.0°
CB1	PB1	O61	O71	120.3°	120.0°
PB1	CB1	H7	H8	116.3°	120.1°
CB1	PB1	O71	H20	114.9°	60.0°
CB1	PB1	O61	H21	111.6°	180.0°
O21	PA1	O11	C1	99.3°	65.0°
O21	PA1	CB1	H7	93.2°	180.0°
O21	PA1	CB1	H8	149.1°	60.0°
PA1	O11	C1	C2	119.2°	120.0°
PA1	O11	C1	C6	113.4°	120.0°
PA1	O11	C1	H1	3.0°	0.0°
O11	PA1	CB1	H7	148.9°	60.0°
O11	PA1	CB1	H8	31.2°	60.0°
O11	PA1	O21	H9	132.4°	60.0°
O61	PB1	CB1	H7	89.7°	60.0°
O61	PB1	CB1	H8	152.6°	60.0°
O61	PB1	O71	H20	128.1°	60.0°
O71	PB1	CB1	H7	148.7°	60.0°
O71	PB1	CB1	H8	31.0°	180.0°
O71	PB1	O61	H21	128.0°	60.0°
O24	PA4	O14	C4	134.9°	55.0°
O24	PA4	O14	O34	117.7°	120.0°
O24	PA4	O14	O44	120.0°	120.0°
O24	PA4	O34	O44	126.6°	120.0°
O24	PA4	O34	H14	0.0°	180.0°
O24	PA4	O44	H17	0.0°	60.0°
O13	C3	C2	C4	122.6°	120.0°
O13	C3	C2	H3	118.5°	120.0°
O13	C3	C4	H3	118.0°	120.0°
O13	C3	C4	O14	70.6°	60.0°
O13	C3	C2	C1	178.0°	180.0°
O13	C3	C2	O12	56.8°	60.0°
O13	C3	C4	C5	172.8°	180.0°
O13	C3	C2	H2	64.2°	60.0°
O13	C3	C4	H4	49.7°	60.0°
C2	C3	C4	H3	118.9°	120.0°
C2	C3	C4	O14	166.2°	180.0°
C3	C2	C1	O12	120.8°	120.0°
C3	C2	C1	H2	117.8°	120.1°
C3	C2	O12	H2	120.6°	120.0°
C3	C2	C1	O11	166.7°	180.0°
C3	C2	C1	C6	65.2°	60.0°
C2	C3	C4	C5	49.7°	60.0°
C3	C2	O12	PA2	132.5°	120.0°
C3	C2	C1	H1	50.1°	60.0°
C2	C3	C4	H4	73.4°	60.0°
C3	C4	O14	C5	120.3°	120.0°
C3	C4	O14	H4	119.8°	120.0°
C3	C4	O14	PA4	121.4°	120.0°
C4	C3	C2	C1	55.4°	60.0°
C4	C3	C2	O12	65.8°	60.0°
C3	C4	C5	H4	123.2°	120.0°
C3	C4	C5	C6	50.6°	60.0°
C3	C4	C5	O15	172.4°	180.0°
C4	C3	C2	H2	173.2°	180.0°
C3	C4	C5	H5	69.0°	60.0°
O14	C4	C5	H4	120.3°	120.0°
C4	O14	PA4	O34	107.4°	65.0°
C4	O14	PA4	O44	14.9°	175.0°
O14	C4	C5	C6	167.1°	180.0°
O14	C4	C5	O15	71.1°	60.0°
O14	C4	C3	H3	47.4°	60.0°
O14	C4	C5	H5	47.5°	60.0°
PA4	O14	C4	C5	118.3°	120.0°
O14	PA4	O34	O44	121.5°	120.0°
PA4	O14	C4	H4	1.5°	0.0°
O14	PA4	O34	H14	111.9°	60.0°
O14	PA4	O44	H17	114.8°	180.0°
O35	PA5	O15	C5	15.3°	55.0°
O35	PA5	O15	O45	121.5°	120.0°
O35	PA5	O15	O25	121.8°	120.0°
O35	PA5	O45	O25	126.6°	120.1°
O35	PA5	O25	H11	0.0°	180.0°
O35	PA5	O45	H18	0.0°	60.1°
O22	PA2	O12	C2	28.4°	55.0°
O22	PA2	O12	O42	120.1°	120.0°
O22	PA2	O12	O32	120.7°	120.0°
O22	PA2	O42	O32	125.8°	120.0°
O22	PA2	O32	H12	0.0°	60.0°
O22	PA2	O42	H16	0.0°	180.0°
C1	C2	O12	H2	121.0°	120.0°
C2	C1	O11	C6	127.4°	120.0°
C2	C1	O11	H1	116.2°	120.0°
C2	C1	C6	H1	115.4°	120.0°
C2	C1	C6	C5	65.7°	60.0°
C2	C1	C6	O16	178.7°	180.0°
C1	C2	O12	PA2	109.1°	120.0°
C1	C2	C3	H3	63.5°	60.0°
C2	C1	C6	H6	54.9°	60.0°
O12	C2	C1	O11	72.5°	60.0°
O12	C2	C1	C6	55.6°	60.0°
C2	O12	PA2	O42	91.6°	65.0°
C2	O12	PA2	O32	149.1°	175.0°
O12	C2	C1	H1	171.0°	180.0°
O12	C2	C3	H3	175.3°	180.0°
O11	C1	C6	H1	116.8°	120.0°
O11	C1	C6	C5	166.5°	180.0°
O11	C1	C6	O16	50.9°	60.0°
O11	C1	C2	H2	48.9°	60.0°
O11	C1	C6	H6	72.9°	60.0°
C1	C6	C5	C4	56.7°	60.0°
C1	C6	C5	O16	117.0°	120.0°
C1	C6	C5	H6	120.6°	120.0°
C1	C6	C5	O15	178.5°	180.0°
C1	C6	O16	H6	123.3°	120.0°
C1	C6	O16	PA6	114.5°	120.0°
C6	C1	C2	H2	177.0°	180.0°
C1	C6	C5	H5	62.8°	60.0°
C4	C5	C6	O15	121.8°	120.0°
C4	C5	C6	H5	119.5°	120.0°
C4	C5	O15	H5	118.0°	120.0°
C4	C5	C6	O16	173.8°	180.0°
C4	C5	O15	PA5	128.9°	120.0°
C5	C4	C3	H3	69.2°	60.0°
C4	C5	C6	H6	63.9°	60.0°
O34	PA4	O44	H17	126.6°	60.0°
O44	PA4	O34	H14	126.6°	60.0°
C6	C5	O15	H5	118.2°	120.0°
C5	C6	O16	H6	121.9°	120.0°
C5	C6	O16	PA6	130.7°	119.9°
C6	C5	O15	PA5	107.3°	120.0°
C5	C6	C1	H1	49.7°	60.0°
C6	C5	C4	H4	72.6°	60.0°
O15	C5	C6	O16	64.5°	60.0°
C5	O15	PA5	O45	136.8°	175.0°
C5	O15	PA5	O25	106.5°	65.0°
O15	C5	C4	H4	49.2°	60.0°
O15	C5	C6	H6	57.8°	60.0°
C6	O16	PA6	O26	118.0°	55.1°
C6	O16	PA6	O36	124.0°	64.9°
C6	O16	PA6	O46	2.0°	175.0°
O16	C6	C1	H1	66.0°	60.0°
O16	C6	C5	H5	54.2°	60.0°
O16	PA6	O26	O36	114.6°	120.0°
O16	PA6	O26	O46	118.8°	120.0°
O16	PA6	O36	O46	120.5°	120.1°
PA6	O16	C6	H6	8.9°	0.1°
O16	PA6	O36	H15	113.2°	60.0°
O16	PA6	O46	H19	115.4°	180.0°
O12	PA2	O42	O32	115.7°	120.1°
PA2	O12	C2	H2	11.9°	0.0°
O12	PA2	O32	H12	119.2°	180.0°
O12	PA2	O42	H16	118.5°	60.0°
O42	PA2	O32	H12	125.7°	59.9°
O32	PA2	O42	H16	125.7°	60.0°
O15	PA5	O45	O25	112.5°	120.0°
PA5	O15	C5	H5	10.9°	0.0°
O15	PA5	O25	H11	121.3°	60.0°
O15	PA5	O45	H18	120.9°	179.9°
O45	PA5	O25	H11	126.7°	60.0°
O25	PA5	O45	H18	126.6°	60.0°
O26	PA6	O36	O46	126.3°	120.0°
O26	PA6	O36	H15	0.0°	180.0°
O26	PA6	O46	H19	0.0°	60.0°
O36	PA6	O46	H19	126.1°	59.9°
O46	PA6	O36	H15	126.3°	60.0°
H1	C1	C2	H2	67.7°	60.1°
H1	C1	C6	H6	170.3°	180.0°
H2	C2	C3	H3	54.3°	60.1°
H3	C3	C4	H4	167.7°	NaN°
H4	C4	C5	H5	167.9°	180.0°
H5	C5	C6	H6	176.6°	179.9°

Release date:	2021-05-19
Definition date:	2021-05-11
Last modified:	2021-05-14
Release status:	REL
Processing site:	PDBE
Derived from:	7AUP