EJ8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O10	P2	doub	1.48Å	1.47Å
O9	P2	sing	1.61Å	1.46Å
P2	O11	sing	1.61Å	1.50Å
P2	C18	sing	1.82Å	1.85Å
O6	C6	doub	1.22Å	1.23Å
C6	N1	sing	1.35Å	1.39Å
C6	C5	sing	1.42Å	1.37Å
C17	S1	sing	1.81Å	1.83Å
C17	C5	sing	1.51Å	1.41Å
C18	S1	sing	1.81Å	1.85Å
N1	C8	sing	1.35Å	1.41Å
C5	C4	doub	1.35Å	1.38Å
C8	O2	doub	1.22Å	1.26Å
C8	N9	sing	1.34Å	1.33Å
C4	N9	sing	1.37Å	1.47Å
N9	C1'	sing	1.46Å	1.52Å
C1'	C2'	sing	1.55Å	1.56Å
C1'	O4'	sing	1.43Å	1.40Å
C2'	C3'	sing	1.55Å	1.51Å
C9	CAA	doub	1.38Å	1.39Å	Aromatic
C9	C10	sing	1.38Å	1.36Å	Aromatic
O4'	C4'	sing	1.44Å	1.44Å
CAA	C2	sing	1.38Å	1.40Å	Aromatic
O3'	C3'	sing	1.41Å	1.43Å
O3'	CAB	sing	1.43Å	1.45Å
C3'	C4'	sing	1.54Å	1.53Å
C10	C11	doub	1.38Å	1.39Å	Aromatic
C4'	C5'	sing	1.53Å	1.48Å
C2	CAB	sing	1.51Å	1.45Å
C2	C12	doub	1.38Å	1.38Å	Aromatic
C11	C12	sing	1.38Å	1.40Å	Aromatic
CAB	O7	sing	1.43Å	1.42Å
CAB	P	sing	1.82Å	1.87Å
O7	C5'	sing	1.43Å	1.50Å
OP2	P	doub	1.48Å	1.46Å
P	OP1	sing	1.61Å	1.50Å
P	OP3	sing	1.61Å	1.56Å
C2'	H1	sing	1.09Å	1.10Å
C2'	H2	sing	1.09Å	1.10Å
C1'	H3	sing	1.09Å	1.10Å
O9	H4	sing	0.97Å	0.95Å
O11	H5	sing	0.97Å	0.95Å
C18	H6	sing	1.09Å	1.10Å
C18	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.08Å	1.08Å
N1	H11	sing	0.97Å	1.00Å
C3'	H12	sing	1.09Å	1.10Å
C4'	H13	sing	1.09Å	1.10Å
C5'	H14	sing	1.09Å	1.10Å
C5'	H15	sing	1.09Å	1.10Å
OP1	H16	sing	0.97Å	0.95Å
OP3	H17	sing	0.97Å	0.95Å
CAA	H18	sing	1.08Å	1.08Å
C9	H19	sing	1.08Å	1.08Å
C10	H20	sing	1.08Å	1.08Å
C11	H21	sing	1.08Å	1.08Å
C12	H22	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O10	P2	O9	119.4°	109.5°
O10	P2	O11	118.8°	109.4°
O10	P2	C18	101.8°	109.5°
O9	P2	O11	114.1°	109.5°
O9	P2	C18	100.0°	109.5°
P2	O9	H4	109.5°	114.0°
O11	P2	C18	96.1°	109.4°
P2	O11	H5	109.5°	114.0°
P2	C18	S1	118.5°	109.4°
P2	C18	H6	107.2°	109.5°
P2	C18	H7	107.2°	109.5°
O6	C6	N1	119.5°	120.3°
O6	C6	C5	121.2°	120.3°
N1	C6	C5	119.3°	119.4°
C6	N1	C8	124.5°	120.2°
C6	N1	H11	117.7°	119.9°
C6	C5	C17	121.4°	120.5°
C6	C5	C4	117.3°	119.1°
S1	C17	C5	110.0°	109.5°
C17	S1	C18	98.7°	103.0°
S1	C17	H8	109.4°	109.4°
S1	C17	H9	109.3°	109.5°
C17	C5	C4	121.3°	120.4°
C5	C17	H8	109.3°	109.5°
C5	C17	H9	109.3°	109.5°
S1	C18	H6	107.1°	109.4°
S1	C18	H7	107.1°	109.5°
N1	C8	O2	121.1°	119.5°
N1	C8	N9	117.0°	121.0°
C8	N1	H11	117.8°	119.9°
C5	C4	N9	122.6°	119.7°
C5	C4	H10	118.7°	120.2°
O2	C8	N9	121.9°	119.6°
C8	N9	C4	119.1°	120.6°
C8	N9	C1'	118.1°	119.7°
C4	N9	C1'	122.8°	119.7°
N9	C4	H10	118.7°	120.1°
N9	C1'	C2'	109.0°	109.8°
N9	C1'	O4'	117.6°	109.8°
N9	C1'	H3	106.9°	109.9°
C2'	C1'	O4'	107.9°	107.6°
C1'	C2'	C3'	103.6°	101.8°
C1'	C2'	H1	110.9°	111.0°
C1'	C2'	H2	110.9°	111.0°
C2'	C1'	H3	106.4°	109.8°
C1'	O4'	C4'	108.0°	109.7°
O4'	C1'	H3	108.4°	109.8°
C2'	C3'	O3'	105.9°	111.7°
C2'	C3'	C4'	102.4°	101.4°
C3'	C2'	H1	110.9°	110.9°
C3'	C2'	H2	110.9°	111.0°
C2'	C3'	H12	111.7°	110.0°
CAA	C9	C10	119.8°	120.0°
C9	CAA	C2	120.9°	120.0°
C9	CAA	H18	119.5°	119.9°
CAA	C9	H19	120.1°	120.0°
C9	C10	C11	121.3°	120.0°
C10	C9	H19	120.1°	120.0°
C9	C10	H20	119.3°	120.0°
O4'	C4'	C3'	105.1°	104.2°
O4'	C4'	C5'	106.2°	107.0°
O4'	C4'	H13	110.6°	111.5°
CAA	C2	CAB	121.3°	120.0°
CAA	C2	C12	117.9°	120.0°
C2	CAA	H18	119.5°	120.0°
C3'	O3'	CAB	117.3°	116.0°
O3'	C3'	C4'	111.6°	112.5°
O3'	C3'	H12	113.0°	110.8°
O3'	CAB	C2	105.3°	109.7°
O3'	CAB	O7	108.4°	108.1°
O3'	CAB	P	112.6°	109.7°
C3'	C4'	C5'	115.2°	110.0°
C4'	C3'	H12	111.6°	110.0°
C3'	C4'	H13	109.4°	111.5°
C10	C11	C12	118.1°	120.0°
C11	C10	H20	119.4°	120.0°
C10	C11	H21	121.0°	120.0°
C4'	C5'	O7	111.7°	110.2°
C5'	C4'	H13	110.1°	112.2°
C4'	C5'	H14	108.9°	109.3°
C4'	C5'	H15	108.9°	109.3°
CAB	C2	C12	120.8°	120.0°
C2	CAB	O7	109.6°	109.7°
C2	CAB	P	109.7°	109.8°
C2	C12	C11	121.9°	120.0°
C2	C12	H22	119.0°	120.0°
C12	C11	H21	120.9°	120.0°
C11	C12	H22	119.1°	120.0°
O7	CAB	P	111.0°	109.8°
CAB	O7	C5'	115.5°	112.8°
CAB	P	OP2	107.6°	109.5°
CAB	P	OP1	112.4°	109.5°
CAB	P	OP3	100.2°	109.5°
O7	C5'	H14	108.9°	109.3°
O7	C5'	H15	108.9°	109.2°
OP2	P	OP1	113.7°	109.5°
OP2	P	OP3	108.8°	109.5°
OP1	P	OP3	113.2°	109.5°
P	OP1	H16	109.5°	114.0°
P	OP3	H17	109.5°	114.0°
H1	C2'	H2	109.5°	110.8°
H6	C18	H7	109.5°	109.5°
H8	C17	H9	109.5°	109.5°
H14	C5'	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O10	P2	O9	O11	148.9°	120.0°
O10	P2	O9	C18	109.8°	120.0°
O10	P2	O11	C18	107.1°	120.0°
O10	P2	C18	S1	10.7°	60.0°
O10	P2	O9	H4	0.0°	180.0°
O10	P2	O11	H5	0.0°	60.1°
O10	P2	C18	H6	110.6°	59.9°
O10	P2	C18	H7	131.9°	180.0°
O9	P2	O11	C18	103.8°	120.0°
O9	P2	C18	S1	133.8°	60.0°
O9	P2	O11	H5	149.1°	59.9°
O9	P2	C18	H6	12.5°	179.9°
O9	P2	C18	H7	105.0°	60.0°
O11	P2	C18	S1	110.4°	180.0°
O11	P2	O9	H4	149.0°	60.1°
O11	P2	C18	H6	128.3°	60.0°
O11	P2	C18	H7	10.8°	60.0°
P2	C18	S1	C17	109.2°	75.0°
P2	C18	S1	H6	121.3°	119.9°
P2	C18	S1	H7	121.3°	120.0°
C18	P2	O9	H4	109.7°	59.9°
C18	P2	O11	H5	107.1°	180.0°
P2	C18	H6	H7	115.9°	120.0°
O6	C6	N1	C5	179.4°	179.9°
O6	C6	C5	C17	0.6°	0.0°
O6	C6	N1	C8	179.6°	180.0°
O6	C6	C5	C4	178.0°	179.8°
O6	C6	N1	H11	0.4°	0.1°
N1	C6	C5	C17	178.8°	180.0°
C6	N1	C8	H11	180.0°	179.9°
N1	C6	C5	C4	1.5°	0.3°
C6	N1	C8	O2	178.5°	180.0°
C6	N1	C8	N9	2.6°	0.2°
C6	C5	C17	S1	77.6°	75.3°
C6	C5	C17	C4	177.3°	179.7°
C5	C6	N1	C8	1.0°	0.0°
C6	C5	C4	N9	2.3°	0.3°
C6	C5	C17	H8	42.5°	164.7°
C6	C5	C17	H9	162.3°	44.7°
C6	C5	C4	H10	177.7°	179.8°
C5	C6	N1	H11	179.0°	180.0°
S1	C17	C5	H8	120.1°	120.0°
S1	C17	C5	H9	120.1°	120.0°
S1	C17	C5	C4	105.1°	105.0°
C17	S1	C18	H6	12.1°	44.9°
C17	S1	C18	H7	129.5°	165.0°
S1	C17	H8	H9	119.8°	120.0°
C5	C17	S1	C18	165.4°	180.0°
C17	C5	C4	N9	179.7°	180.0°
C5	C17	H8	H9	119.7°	120.0°
C17	C5	C4	H10	0.3°	0.1°
S1	C18	H6	H7	115.9°	120.1°
C18	S1	C17	H8	74.5°	60.0°
C18	S1	C17	H9	45.3°	60.0°
N1	C8	O2	N9	178.8°	179.7°
N1	C8	N9	C4	1.7°	0.2°
N1	C8	N9	C1'	176.3°	179.7°
C5	C4	N9	C8	0.7°	0.0°
C5	C4	N9	H10	180.0°	179.9°
C5	C4	N9	C1'	178.6°	180.0°
C4	C5	C17	H8	134.8°	15.0°
C4	C5	C17	H9	15.0°	135.0°
O2	C8	N9	C4	179.5°	180.0°
O2	C8	N9	C1'	2.5°	0.0°
O2	C8	N1	H11	1.5°	0.0°
C8	N9	C4	C1'	177.9°	180.0°
C8	N9	C1'	C2'	161.7°	74.3°
C8	N9	C1'	O4'	75.2°	167.6°
C8	N9	C1'	H3	47.0°	46.6°
C8	N9	C4	H10	179.3°	179.9°
N9	C8	N1	H11	177.4°	179.7°
C4	N9	C1'	C2'	16.3°	105.7°
C4	N9	C1'	O4'	106.9°	12.4°
C4	N9	C1'	H3	130.9°	133.3°
N9	C1'	C2'	O4'	128.8°	119.5°
N9	C1'	C2'	H3	115.0°	121.0°
N9	C1'	O4'	H3	121.4°	121.0°
N9	C1'	C2'	C3'	122.9°	140.3°
N9	C1'	O4'	C4'	140.8°	116.2°
N9	C1'	C2'	H1	118.0°	101.6°
N9	C1'	C2'	H2	3.9°	22.2°
C1'	N9	C4	H10	1.4°	0.1°
C2'	C1'	O4'	H3	114.9°	119.5°
C1'	C2'	C3'	H1	119.1°	118.1°
C1'	C2'	C3'	H2	119.1°	118.2°
C2'	C1'	O4'	C4'	17.1°	3.3°
C1'	C2'	C3'	O3'	92.4°	155.2°
C1'	C2'	C3'	C4'	24.7°	35.1°
C1'	C2'	H1	H2	122.7°	123.8°
C1'	C2'	C3'	H12	144.2°	81.3°
O4'	C1'	C2'	C3'	5.8°	20.8°
C1'	O4'	C4'	C3'	33.5°	26.4°
C1'	O4'	C4'	C5'	156.0°	90.1°
O4'	C1'	C2'	H1	113.2°	138.9°
O4'	C1'	C2'	H2	124.9°	97.4°
C1'	O4'	C4'	H13	84.5°	146.8°
C2'	C3'	C4'	O4'	35.8°	38.3°
C2'	C3'	O3'	C4'	110.7°	113.4°
C2'	C3'	O3'	H12	122.6°	123.0°
C2'	C3'	O3'	CAB	159.3°	63.4°
C2'	C3'	C4'	H12	119.6°	116.5°
C2'	C3'	C4'	C5'	152.4°	76.1°
C3'	C2'	H1	H2	122.7°	123.8°
C3'	C2'	C1'	H3	122.1°	98.7°
C2'	C3'	C4'	H13	83.0°	158.7°
CAA	C9	C10	H19	180.0°	180.0°
C9	CAA	C2	H18	180.0°	179.9°
CAA	C9	C10	C11	0.7°	0.0°
C9	CAA	C2	CAB	177.7°	180.0°
C9	CAA	C2	C12	2.1°	0.4°
CAA	C9	C10	H20	179.4°	180.0°
C10	C9	CAA	C2	1.5°	0.1°
C9	C10	C11	H20	180.0°	180.0°
C9	C10	C11	C12	2.1°	0.3°
C10	C9	CAA	H18	178.5°	180.0°
C9	C10	C11	H21	177.9°	180.0°
O4'	C4'	C3'	O3'	77.1°	157.8°
O4'	C4'	C3'	C5'	116.5°	114.4°
O4'	C4'	C3'	H13	118.8°	120.4°
O4'	C4'	C5'	H13	119.8°	122.6°
O4'	C4'	C5'	O7	76.1°	160.9°
C4'	O4'	C1'	H3	97.8°	122.8°
O4'	C4'	C3'	H12	155.5°	78.2°
O4'	C4'	C5'	H14	44.2°	40.7°
O4'	C4'	C5'	H15	163.6°	79.0°
CAA	C2	CAB	O3'	28.4°	130.2°
CAA	C2	CAB	C12	179.8°	179.7°
CAA	C2	C12	C11	0.5°	0.6°
CAA	C2	CAB	O7	144.8°	11.5°
CAA	C2	CAB	P	93.1°	109.2°
C2	CAA	C9	H19	178.5°	179.9°
CAA	C2	C12	H22	179.5°	179.7°
O3'	C3'	C4'	H12	127.5°	124.0°
O3'	C3'	C4'	C5'	39.4°	43.4°
C3'	O3'	CAB	C2	174.1°	61.8°
C3'	O3'	CAB	O7	56.9°	57.9°
C3'	O3'	CAB	P	66.4°	177.5°
O3'	C3'	C2'	H1	148.5°	86.7°
O3'	C3'	C2'	H2	26.7°	37.0°
O3'	C3'	C4'	H13	164.1°	81.7°
CAB	O3'	C3'	C4'	48.6°	50.0°
O3'	CAB	C2	O7	116.4°	118.7°
O3'	CAB	C2	P	121.4°	120.6°
O3'	CAB	C2	C12	151.8°	50.2°
O3'	CAB	O7	P	124.2°	119.6°
O3'	CAB	O7	C5'	56.2°	62.9°
O3'	CAB	P	OP2	71.1°	60.0°
O3'	CAB	P	OP1	54.8°	60.0°
O3'	CAB	P	OP3	175.3°	180.0°
CAB	O3'	C3'	H12	78.1°	173.6°
C3'	C4'	C5'	H13	124.3°	124.8°
C3'	C4'	C5'	O7	39.8°	48.3°
C4'	C3'	C2'	H1	94.4°	153.3°
C4'	C3'	C2'	H2	143.7°	83.1°
C3'	C4'	C5'	H14	160.1°	71.9°
C3'	C4'	C5'	H15	80.5°	168.4°
C10	C11	C12	C2	1.5°	0.5°
C10	C11	C12	H21	180.0°	179.8°
C11	C10	C9	H19	179.3°	180.0°
C10	C11	C12	H22	178.5°	179.8°
C4'	C5'	O7	CAB	50.1°	60.2°
C4'	C5'	O7	H14	120.3°	120.2°
C4'	C5'	O7	H15	120.3°	120.2°
C5'	C4'	C3'	H12	88.0°	167.4°
C4'	C5'	H14	H15	119.0°	119.7°
CAB	C2	C12	C11	179.3°	179.7°
C2	CAB	O7	P	121.4°	120.7°
C2	CAB	O7	C5'	170.6°	56.7°
C2	CAB	P	OP2	45.8°	60.6°
C2	CAB	P	OP1	171.7°	179.3°
C2	CAB	P	OP3	67.8°	59.4°
CAB	C2	CAA	H18	2.2°	0.1°
CAB	C2	C12	H22	0.7°	0.0°
C2	C12	C11	H22	180.0°	179.7°
C12	C2	CAB	O7	35.4°	168.8°
C12	C2	CAB	P	86.7°	70.5°
C12	C2	CAA	H18	177.9°	179.7°
C2	C12	C11	H21	178.5°	179.7°
C12	C11	C10	H20	177.9°	179.8°
O7	CAB	P	OP2	167.1°	178.7°
O7	CAB	P	OP1	67.0°	58.7°
O7	CAB	P	OP3	53.5°	61.3°
CAB	O7	C5'	H14	170.4°	60.0°
CAB	O7	C5'	H15	70.2°	179.7°
P	CAB	O7	C5'	68.0°	177.5°
CAB	P	OP2	OP1	125.1°	120.0°
CAB	P	OP2	OP3	107.7°	120.0°
CAB	P	OP1	OP3	112.7°	120.0°
CAB	P	OP1	H16	122.5°	59.9°
CAB	P	OP3	H17	112.6°	180.0°
O7	C5'	C4'	H13	164.1°	76.4°
O7	C5'	H14	H15	119.0°	119.5°
OP2	P	OP1	OP3	124.8°	120.0°
OP2	P	OP1	H16	0.0°	180.0°
OP2	P	OP3	H17	0.0°	60.0°
OP1	P	OP3	H17	127.5°	60.0°
OP3	P	OP1	H16	124.8°	60.0°
H1	C2'	C1'	H3	3.0°	19.4°
H1	C2'	C3'	H12	25.1°	36.8°
H2	C2'	C1'	H3	118.9°	143.1°
H2	C2'	C3'	H12	96.8°	160.5°
H12	C3'	C4'	H13	36.6°	42.3°
H13	C4'	C5'	H14	75.6°	163.3°
H13	C4'	C5'	H15	43.8°	43.6°
H18	CAA	C9	H19	1.5°	0.0°
H19	C9	C10	H20	0.6°	0.0°
H20	C10	C11	H21	2.1°	0.0°
H21	C11	C12	H22	1.5°	0.0°

Release date:	2018-07-11
Definition date:	2018-03-23
Last modified:	2018-07-06
Release status:	REL
Processing site:	EBI
Derived from:	6G2L