5MY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O31	P1	sing	1.61Å	1.51Å
P1	O21	sing	1.61Å	1.51Å
P1	O41	doub	1.48Å	1.50Å
P1	O11	sing	1.61Å	1.61Å
O11	C1	sing	1.43Å	1.42Å
C1	C2	sing	1.53Å	1.53Å
C1	C6	sing	1.53Å	1.53Å
C2	O12	sing	1.43Å	1.45Å
C2	C3	sing	1.53Å	1.52Å
C3	O13	sing	1.43Å	1.41Å
C3	C4	sing	1.53Å	1.53Å
O13	P3	sing	1.61Å	1.61Å
P3	O23	sing	1.61Å	1.51Å
P3	O33	doub	1.48Å	1.50Å
P3	O43	sing	1.61Å	1.51Å
C6	O16	sing	1.43Å	1.43Å
C6	C5	sing	1.53Å	1.53Å
O16	P6	sing	1.61Å	1.61Å
P6	O26	sing	1.61Å	1.50Å
P6	O36	doub	1.48Å	1.50Å
P6	O46	sing	1.61Å	1.52Å
C5	O15	sing	1.43Å	1.42Å
C5	C4	sing	1.53Å	1.53Å
O15	P5	sing	1.61Å	1.61Å
P5	O25	sing	1.61Å	1.50Å
P5	O35	doub	1.48Å	1.50Å
P5	O45	sing	1.61Å	1.51Å
C4	O14	sing	1.43Å	1.43Å
O14	P4	sing	1.61Å	1.61Å
P4	O34	doub	1.48Å	1.51Å
P4	O44	sing	1.61Å	1.52Å
P4	O24	sing	1.61Å	1.53Å
O31	H31	sing	0.97Å	0.95Å
O21	H21	sing	0.97Å	0.95Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
O12	H12	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O23	H23	sing	0.97Å	0.95Å
O43	H43	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
O26	H26	sing	0.97Å	0.95Å
O46	H46	sing	0.97Å	0.95Å
O25	H25	sing	0.97Å	0.95Å
O45	H45	sing	0.97Å	0.95Å
O44	H44	sing	0.97Å	0.95Å
O24	H24	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O31	P1	O21	113.5°	109.5°
O31	P1	O41	114.7°	109.5°
O31	P1	O11	104.3°	109.5°
P1	O31	H31	109.5°	114.0°
O21	P1	O41	114.5°	109.5°
O21	P1	O11	102.4°	109.5°
P1	O21	H21	109.5°	114.0°
O41	P1	O11	105.7°	109.4°
P1	O11	C1	121.9°	123.0°
O11	C1	C2	107.9°	109.5°
O11	C1	C6	109.6°	109.5°
O11	C1	H1	111.5°	109.5°
C2	C1	C6	112.2°	109.4°
C1	C2	O12	112.1°	109.5°
C1	C2	C3	110.0°	109.5°
C2	C1	H1	108.8°	109.5°
C1	C2	H2	107.9°	109.5°
C1	C6	O16	109.2°	109.4°
C1	C6	C5	110.3°	109.5°
C6	C1	H1	107.0°	109.5°
C1	C6	H6	109.1°	109.4°
O12	C2	C3	111.2°	109.5°
O12	C2	H2	106.6°	109.5°
C2	O12	H12	109.5°	114.0°
C2	C3	O13	109.9°	109.5°
C2	C3	C4	111.8°	109.5°
C3	C2	H2	108.9°	109.4°
C2	C3	H3	106.9°	109.5°
O13	C3	C4	107.1°	109.5°
C3	O13	P3	124.1°	123.0°
O13	C3	H3	111.5°	109.4°
C3	C4	C5	112.7°	109.5°
C3	C4	O14	106.4°	109.5°
C4	C3	H3	109.6°	109.5°
C3	C4	H4	109.4°	109.5°
O13	P3	O23	101.1°	109.4°
O13	P3	O33	104.3°	109.4°
O13	P3	O43	103.1°	109.5°
O23	P3	O33	115.5°	109.5°
O23	P3	O43	115.1°	109.5°
P3	O23	H23	109.5°	114.0°
O33	P3	O43	115.1°	109.5°
P3	O43	H43	109.5°	114.0°
O16	C6	C5	109.4°	109.5°
C6	O16	P6	124.9°	123.0°
O16	C6	H6	110.0°	109.5°
C6	C5	O15	107.0°	109.4°
C6	C5	C4	112.4°	109.5°
C5	C6	H6	108.9°	109.5°
C6	C5	H5	108.3°	109.5°
O16	P6	O26	103.6°	109.5°
O16	P6	O36	106.0°	109.4°
O16	P6	O46	103.7°	109.5°
O26	P6	O36	114.7°	109.4°
O26	P6	O46	116.7°	109.5°
P6	O26	H26	109.5°	113.9°
O36	P6	O46	110.7°	109.5°
P6	O46	H46	109.5°	114.1°
O15	C5	C4	106.6°	109.5°
C5	O15	P5	123.5°	123.0°
O15	C5	H5	113.9°	109.5°
C5	C4	O14	109.5°	109.5°
C5	C4	H4	106.3°	109.4°
C4	C5	H5	108.7°	109.5°
O15	P5	O25	105.3°	109.5°
O15	P5	O35	104.6°	109.5°
O15	P5	O45	100.8°	109.5°
O25	P5	O35	113.4°	109.4°
O25	P5	O45	115.4°	109.5°
P5	O25	H25	109.5°	114.1°
O35	P5	O45	115.2°	109.5°
P5	O45	H45	109.5°	114.0°
C4	O14	P4	122.9°	123.0°
O14	C4	H4	112.7°	109.5°
O14	P4	O34	105.6°	109.5°
O14	P4	O44	106.2°	109.5°
O14	P4	O24	100.3°	109.5°
O34	P4	O44	113.6°	109.4°
O34	P4	O24	115.2°	109.5°
O44	P4	O24	114.3°	109.4°
P4	O44	H44	109.5°	114.1°
P4	O24	H24	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O31	P1	O21	O41	134.3°	120.0°
O31	P1	O21	O11	111.8°	120.0°
O31	P1	O41	O11	114.2°	120.0°
O31	P1	O11	C1	72.9°	65.0°
O31	P1	O21	H21	0.8°	60.0°
O21	P1	O41	O11	112.0°	120.0°
O21	P1	O11	C1	168.5°	175.0°
O21	P1	O31	H31	82.8°	60.0°
O41	P1	O11	C1	48.3°	55.0°
O41	P1	O31	H31	143.0°	180.0°
O41	P1	O21	H21	135.1°	60.0°
P1	O11	C1	C2	115.1°	120.0°
P1	O11	C1	C6	122.5°	120.0°
O11	P1	O31	H31	27.9°	60.0°
O11	P1	O21	H21	111.0°	180.0°
P1	O11	C1	H1	4.2°	0.1°
O11	C1	C2	C6	120.8°	120.0°
O11	C1	C2	H1	121.0°	120.0°
O11	C1	C6	H1	121.0°	120.0°
O11	C1	C2	O12	54.3°	60.0°
O11	C1	C2	C3	178.6°	180.0°
O11	C1	C6	O16	63.4°	60.0°
O11	C1	C6	C5	176.4°	180.0°
O11	C1	C2	H2	62.8°	60.0°
O11	C1	C6	H6	56.8°	60.0°
C2	C1	C6	H1	119.2°	120.0°
C1	C2	O12	C3	123.6°	120.0°
C1	C2	O12	H2	117.9°	120.0°
C1	C2	C3	H2	118.0°	120.0°
C1	C2	C3	O13	173.8°	180.0°
C1	C2	C3	C4	54.9°	60.0°
C2	C1	C6	O16	176.8°	180.0°
C2	C1	C6	C5	56.6°	60.0°
C2	C1	C6	H6	63.0°	60.0°
C1	C2	O12	H12	140.7°	180.0°
C1	C2	C3	H3	65.0°	60.0°
C6	C1	C2	O12	66.4°	60.0°
C6	C1	C2	C3	57.8°	60.0°
C1	C6	O16	C5	120.7°	120.0°
C1	C6	O16	H6	119.7°	119.9°
C1	C6	C5	H6	119.7°	120.0°
C1	C6	O16	P6	120.8°	120.0°
C1	C6	C5	O15	169.5°	180.0°
C1	C6	C5	C4	52.8°	60.0°
C6	C1	C2	H2	176.4°	179.9°
C1	C6	C5	H5	67.3°	60.0°
O12	C2	C3	H2	117.2°	120.0°
O12	C2	C3	O13	49.0°	60.0°
O12	C2	C3	C4	69.9°	60.0°
O12	C2	C1	H1	175.4°	180.0°
O12	C2	C3	H3	170.2°	180.0°
C2	C3	O13	C4	121.7°	120.0°
C2	C3	O13	H3	118.3°	120.0°
C2	C3	C4	H3	118.3°	120.0°
C2	C3	O13	P3	82.7°	120.0°
C2	C3	C4	C5	52.6°	60.0°
C2	C3	C4	O14	172.6°	180.0°
C3	C2	C1	H1	60.4°	60.0°
C3	C2	O12	H12	95.7°	60.0°
C2	C3	C4	H4	65.5°	60.0°
O13	C3	C4	H3	121.2°	120.0°
C3	O13	P3	O23	156.3°	65.0°
C3	O13	P3	O33	36.1°	54.9°
C3	O13	P3	O43	84.5°	175.0°
O13	C3	C4	C5	173.1°	180.0°
O13	C3	C4	O14	66.9°	60.0°
O13	C3	C2	H2	68.2°	60.0°
O13	C3	C4	H4	55.0°	60.0°
C4	C3	O13	P3	155.7°	120.0°
C3	C4	C5	C6	51.5°	60.0°
C3	C4	C5	O15	168.4°	180.0°
C3	C4	C5	O14	118.1°	120.0°
C3	C4	C5	H4	119.9°	120.0°
C3	C4	O14	H4	119.9°	120.0°
C3	C4	O14	P4	122.8°	120.0°
C4	C3	C2	H2	172.9°	180.0°
C3	C4	C5	H5	68.4°	60.0°
O13	P3	O23	O33	111.9°	119.9°
O13	P3	O23	O43	110.3°	120.0°
O13	P3	O33	O43	112.2°	120.0°
P3	O13	C3	H3	35.7°	0.0°
O13	P3	O23	H23	115.8°	60.0°
O13	P3	O43	H43	38.7°	179.9°
O23	P3	O33	O43	137.9°	120.0°
O23	P3	O43	H43	147.8°	60.0°
O33	P3	O23	H23	132.3°	180.0°
O33	P3	O43	H43	74.1°	60.1°
O43	P3	O23	H23	5.6°	60.0°
O16	C6	C5	H6	120.2°	120.0°
C6	O16	P6	O26	2.2°	65.0°
C6	O16	P6	O36	118.9°	55.0°
C6	O16	P6	O46	124.5°	175.0°
O16	C6	C5	O15	70.4°	60.0°
O16	C6	C5	C4	172.8°	180.0°
O16	C6	C1	H1	57.5°	60.1°
O16	C6	C5	H5	52.8°	60.0°
C5	C6	O16	P6	118.5°	120.0°
C6	C5	O15	C4	120.5°	120.0°
C6	C5	O15	H5	119.7°	120.0°
C6	C5	C4	H5	119.9°	120.0°
C6	C5	O15	P5	114.3°	120.0°
C6	C5	C4	O14	169.7°	180.0°
C5	C6	C1	H1	62.6°	60.0°
C6	C5	C4	H4	68.4°	60.0°
O16	P6	O26	O36	115.0°	119.9°
O16	P6	O26	O46	113.2°	120.1°
O16	P6	O36	O46	111.8°	120.0°
P6	O16	C6	H6	1.1°	0.1°
O16	P6	O26	H26	40.5°	60.0°
O16	P6	O46	H46	29.5°	180.0°
O26	P6	O36	O46	134.6°	120.0°
O26	P6	O46	H46	83.6°	59.9°
O36	P6	O26	H26	74.5°	180.0°
O36	P6	O46	H46	142.8°	60.0°
O46	P6	O26	H26	153.7°	60.0°
O15	C5	C4	H5	123.2°	120.1°
C5	O15	P5	O25	47.8°	175.0°
C5	O15	P5	O35	72.0°	55.0°
C5	O15	P5	O45	168.2°	65.0°
O15	C5	C4	O14	73.4°	60.0°
O15	C5	C6	H6	49.8°	60.0°
O15	C5	C4	H4	48.6°	60.0°
C4	C5	O15	P5	125.3°	120.0°
C5	C4	O14	H4	118.1°	120.0°
C5	C4	O14	P4	115.2°	120.0°
C4	C5	C6	H6	66.9°	60.0°
C5	C4	C3	H3	65.7°	60.0°
O15	P5	O25	O35	113.8°	120.0°
O15	P5	O25	O45	110.2°	120.0°
O15	P5	O35	O45	109.7°	120.1°
P5	O15	C5	H5	5.4°	0.0°
O15	P5	O25	H25	139.1°	180.0°
O15	P5	O45	H45	32.6°	60.0°
O25	P5	O35	O45	136.1°	120.0°
O25	P5	O45	H45	145.4°	60.1°
O35	P5	O25	H25	107.2°	60.0°
O35	P5	O45	H45	79.4°	180.0°
O45	P5	O25	H25	28.9°	60.0°
C4	O14	P4	O34	16.7°	55.0°
C4	O14	P4	O44	137.6°	65.0°
C4	O14	P4	O24	103.3°	175.0°
O14	C4	C3	H3	54.2°	60.0°
O14	C4	C5	H5	49.8°	60.1°
O14	P4	O34	O44	115.9°	120.0°
O14	P4	O34	O24	109.6°	120.1°
O14	P4	O44	O24	109.5°	120.0°
P4	O14	C4	H4	2.9°	0.0°
O14	P4	O44	H44	81.4°	60.0°
O14	P4	O24	H24	147.6°	180.0°
O34	P4	O44	O24	134.9°	120.0°
O34	P4	O44	H44	34.2°	180.0°
O34	P4	O24	H24	34.8°	59.9°
O44	P4	O24	H24	99.3°	60.0°
O24	P4	O44	H44	169.1°	60.0°
H1	C1	C2	H2	58.3°	60.0°
H1	C1	C6	H6	177.8°	180.0°
H2	C2	O12	H12	22.9°	59.9°
H2	C2	C3	H3	53.0°	60.0°
H6	C6	C5	H5	173.0°	180.0°
H3	C3	C4	H4	176.2°	NaN°
H4	C4	C5	H5	171.7°	180.0°

Definition date:	2010-03-31
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2XAN