3XB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.42Å
C2	C1	sing	1.53Å	1.51Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C3'	O1	sing	1.43Å	1.44Å
C2	N2	sing	1.47Å	1.45Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
N2	C3	sing	1.47Å	1.46Å
N2	HN2	sing	1.01Å	1.00Å
C3	C4	sing	1.53Å	1.52Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
F6	C4	sing	1.40Å	1.32Å
C4	C11	sing	1.51Å	1.51Å
C4	F5	sing	1.40Å	1.32Å
N1'	C5'	sing	1.49Å	1.45Å
N1'	C2'	sing	1.49Å	1.45Å
N1'	HN1'	sing	1.01Å	1.00Å
C16	C11	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.38Å	1.37Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C14	C13	sing	1.38Å	1.38Å	Aromatic
C13	F13	sing	1.35Å	1.33Å
C15	C14	doub	1.38Å	1.38Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C16	C15	sing	1.38Å	1.38Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C6A	N1A	doub	1.32Å	1.35Å	Aromatic
C2A	N1A	sing	1.32Å	1.35Å	Aromatic
C2'	C3'	sing	1.54Å	1.54Å
C2'	H2'	sing	1.09Å	1.10Å
C2'	H2'A	sing	1.09Å	1.10Å
C3A	C2A	doub	1.38Å	1.39Å	Aromatic
C2A	C7A	sing	1.51Å	1.49Å
C4'	C3'	sing	1.54Å	1.51Å
C3'	H3'	sing	1.09Å	1.10Å
C4A	C3A	sing	1.39Å	1.39Å	Aromatic
C3A	H3AA	sing	1.08Å	1.08Å
C5'	C4'	sing	1.54Å	1.53Å
C4'	C7A	sing	1.53Å	1.53Å
C4'	H4'	sing	1.09Å	1.10Å
C8A	C4A	sing	1.51Å	1.52Å
C4A	C5A	doub	1.38Å	1.41Å	Aromatic
C5'	H5'	sing	1.09Å	1.10Å
C5'	H5'A	sing	1.09Å	1.10Å
C5A	C6A	sing	1.39Å	1.41Å	Aromatic
C5A	H5A	sing	1.08Å	1.08Å
C6A	N6A	sing	1.39Å	1.35Å
N6A	HN6A	sing	0.97Å	1.00Å
N6A	HN6B	sing	0.97Å	1.00Å
C7A	H7A	sing	1.09Å	1.10Å
C7A	H7AA	sing	1.09Å	1.10Å
C8A	H8A	sing	1.09Å	1.10Å
C8A	H8AA	sing	1.09Å	1.10Å
C8A	H8AB	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	104.6°	109.4°
O1	C1	H1	111.1°	109.5°
O1	C1	H1A	111.1°	109.5°
C1	O1	C3'	115.0°	114.0°
C2	C1	H1	111.1°	109.5°
C2	C1	H1A	111.1°	109.5°
C1	C2	N2	110.3°	109.5°
C1	C2	H2	109.2°	109.5°
C1	C2	H2A	109.2°	109.5°
H1	C1	H1A	107.7°	109.5°
O1	C3'	C2'	114.3°	110.3°
O1	C3'	C4'	104.3°	110.3°
O1	C3'	H3'	108.7°	110.3°
N2	C2	H2	109.2°	109.5°
N2	C2	H2A	109.2°	109.5°
C2	N2	C3	119.4°	111.0°
C2	N2	HN2	106.3°	111.0°
H2	C2	H2A	109.8°	109.5°
C3	N2	HN2	106.3°	111.0°
N2	C3	C4	108.3°	109.5°
N2	C3	H3	109.9°	109.4°
N2	C3	H3A	109.9°	109.5°
C4	C3	H3	109.9°	109.5°
C4	C3	H3A	109.9°	109.5°
C3	C4	F6	109.2°	109.5°
C3	C4	C11	116.2°	109.5°
C3	C4	F5	106.3°	109.5°
H3	C3	H3A	109.1°	109.5°
F6	C4	C11	111.5°	109.5°
F6	C4	F5	105.0°	109.4°
C11	C4	F5	107.9°	109.5°
C4	C11	C16	122.2°	120.0°
C4	C11	C12	119.2°	120.0°
C5'	N1'	C2'	113.9°	104.2°
C5'	N1'	HN1'	108.0°	111.0°
N1'	C5'	C4'	104.5°	104.6°
N1'	C5'	H5'	111.1°	110.4°
N1'	C5'	H5'A	111.2°	110.4°
C2'	N1'	HN1'	108.0°	111.0°
N1'	C2'	C3'	105.0°	104.6°
N1'	C2'	H2'	111.0°	110.4°
N1'	C2'	H2'A	111.0°	110.4°
C16	C11	C12	118.5°	120.0°
C11	C16	C15	121.7°	120.1°
C11	C16	H16	119.2°	119.9°
C11	C12	C13	120.0°	120.0°
C11	C12	H12	120.0°	120.0°
C13	C12	H12	120.0°	120.0°
C12	C13	C14	121.3°	120.0°
C12	C13	F13	118.3°	120.0°
C14	C13	F13	120.4°	120.0°
C13	C14	C15	119.6°	119.9°
C13	C14	H14	120.2°	120.0°
C15	C14	H14	120.2°	120.1°
C14	C15	C16	118.8°	120.1°
C14	C15	H15	120.6°	119.9°
C16	C15	H15	120.6°	120.0°
C15	C16	H16	119.1°	120.0°
C6A	N1A	C2A	121.1°	121.6°
N1A	C6A	C5A	119.8°	120.6°
N1A	C6A	N6A	117.7°	119.7°
N1A	C2A	C3A	121.6°	120.8°
N1A	C2A	C7A	117.9°	119.6°
C3'	C2'	H2'	111.0°	110.4°
C3'	C2'	H2'A	111.0°	110.4°
C2'	C3'	C4'	105.9°	105.1°
C2'	C3'	H3'	107.2°	110.3°
H2'	C2'	H2'A	107.9°	110.5°
C3A	C2A	C7A	120.5°	119.6°
C2A	C3A	C4A	119.0°	119.3°
C2A	C3A	H3AA	120.5°	120.3°
C2A	C7A	C4'	106.1°	109.5°
C2A	C7A	H7A	110.6°	109.5°
C2A	C7A	H7AA	110.6°	109.5°
C4'	C3'	H3'	116.7°	110.4°
C3'	C4'	C5'	107.0°	105.0°
C3'	C4'	C7A	110.2°	110.3°
C3'	C4'	H4'	112.4°	110.3°
C4A	C3A	H3AA	120.5°	120.3°
C3A	C4A	C8A	119.0°	120.7°
C3A	C4A	C5A	118.9°	118.5°
C5'	C4'	C7A	114.2°	110.3°
C5'	C4'	H4'	108.2°	110.4°
C4'	C5'	H5'	111.2°	110.4°
C4'	C5'	H5'A	111.2°	110.4°
C7A	C4'	H4'	104.9°	110.3°
C4'	C7A	H7A	110.6°	109.5°
C4'	C7A	H7AA	110.6°	109.5°
C8A	C4A	C5A	122.1°	120.7°
C4A	C8A	H8A	109.5°	109.5°
C4A	C8A	H8AA	109.4°	109.5°
C4A	C8A	H8AB	109.5°	109.4°
C4A	C5A	C6A	119.6°	119.1°
C4A	C5A	H5A	120.2°	120.5°
H5'	C5'	H5'A	107.8°	110.5°
C6A	C5A	H5A	120.2°	120.5°
C5A	C6A	N6A	122.5°	119.7°
C6A	N6A	HN6A	109.5°	120.1°
C6A	N6A	HN6B	109.5°	120.0°
HN6A	N6A	HN6B	109.5°	120.0°
H7A	C7A	H7AA	108.3°	109.5°
H8A	C8A	H8AA	109.5°	109.5°
H8A	C8A	H8AB	109.4°	109.5°
H8AA	C8A	H8AB	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H1	120.0°	120.0°
O1	C1	C2	H1A	120.0°	120.0°
O1	C1	H1	H1A	122.0°	120.0°
O1	C1	C2	N2	38.9°	65.0°
O1	C1	C2	H2	81.1°	175.0°
O1	C1	C2	H2A	158.9°	55.0°
C1	O1	C3'	C2'	81.7°	91.4°
C1	O1	C3'	C4'	163.1°	152.9°
C1	O1	C3'	H3'	38.0°	30.7°
C2	C1	H1	H1A	122.0°	120.0°
C2	C1	O1	C3'	113.3°	180.0°
C1	C2	N2	H2	120.0°	120.0°
C1	C2	N2	H2A	120.0°	120.0°
C1	C2	H2	H2A	119.7°	120.0°
C1	C2	N2	C3	154.4°	180.0°
C1	C2	N2	HN2	34.4°	56.1°
H1	C1	O1	C3'	6.7°	60.0°
H1	C1	C2	N2	158.9°	55.0°
H1	C1	C2	H2	38.9°	65.0°
H1	C1	C2	H2A	81.1°	175.0°
H1A	C1	O1	C3'	126.7°	60.0°
H1A	C1	C2	N2	81.1°	175.0°
H1A	C1	C2	H2	158.9°	55.0°
H1A	C1	C2	H2A	38.9°	65.0°
O1	C3'	C2'	N1'	98.7°	142.7°
O1	C3'	C2'	C4'	114.2°	118.9°
O1	C3'	C2'	H3'	120.5°	122.1°
O1	C3'	C2'	H2'	21.2°	24.0°
O1	C3'	C2'	H2'A	141.2°	98.5°
O1	C3'	C4'	H3'	119.9°	122.2°
O1	C3'	C4'	C5'	101.1°	118.9°
O1	C3'	C4'	C7A	23.5°	0.0°
O1	C3'	C4'	H4'	140.2°	122.1°
N2	C2	H2	H2A	119.7°	120.0°
C2	N2	C3	HN2	120.0°	123.9°
C2	N2	C3	C4	24.5°	180.0°
C2	N2	C3	H3	144.5°	60.0°
C2	N2	C3	H3A	95.5°	60.0°
H2	C2	N2	C3	85.6°	60.0°
H2	C2	N2	HN2	154.4°	176.1°
H2A	C2	N2	C3	34.4°	60.0°
H2A	C2	N2	HN2	85.6°	63.9°
N2	C3	C4	H3	120.0°	119.9°
N2	C3	C4	H3A	120.0°	120.0°
N2	C3	H3	H3A	120.5°	120.0°
N2	C3	C4	F6	58.1°	59.9°
N2	C3	C4	C11	174.8°	180.0°
N2	C3	C4	F5	54.8°	60.0°
HN2	N2	C3	C4	95.5°	56.1°
HN2	N2	C3	H3	24.5°	176.0°
HN2	N2	C3	H3A	144.5°	64.0°
C4	C3	H3	H3A	120.5°	120.1°
C3	C4	F6	C11	129.8°	120.0°
C3	C4	F6	F5	113.7°	120.0°
C3	C4	C11	F5	119.2°	120.0°
C3	C4	C11	C16	93.5°	90.3°
C3	C4	C11	C12	90.5°	90.0°
H3	C3	C4	F6	178.1°	60.0°
H3	C3	C4	C11	54.8°	60.0°
H3	C3	C4	F5	65.3°	180.0°
H3A	C3	C4	F6	61.9°	180.0°
H3A	C3	C4	C11	65.2°	60.0°
H3A	C3	C4	F5	174.7°	60.0°
F6	C4	C11	F5	114.8°	120.0°
F6	C4	C11	C16	32.4°	29.8°
F6	C4	C11	C12	143.5°	150.0°
C4	C11	C16	C12	176.0°	179.8°
C4	C11	C12	C13	177.9°	180.0°
C4	C11	C12	H12	2.1°	0.0°
C4	C11	C16	C15	178.1°	179.7°
C4	C11	C16	H16	1.9°	0.0°
F5	C4	C11	C16	147.2°	149.7°
F5	C4	C11	C12	28.7°	30.0°
C5'	N1'	C2'	HN1'	120.0°	119.6°
C5'	N1'	C2'	C3'	5.5°	39.5°
C5'	N1'	C2'	H2'	125.5°	79.3°
C5'	N1'	C2'	H2'A	114.5°	158.2°
N1'	C5'	C4'	C3'	16.4°	23.9°
N1'	C5'	C4'	H5'	120.0°	118.8°
N1'	C5'	C4'	H5'A	120.0°	118.8°
N1'	C5'	C4'	C7A	138.6°	142.7°
N1'	C5'	C4'	H4'	105.0°	95.1°
N1'	C5'	H5'	H5'A	122.0°	122.4°
N1'	C2'	C3'	H2'	120.0°	118.7°
N1'	C2'	C3'	H2'A	120.0°	118.8°
N1'	C2'	H2'	H2'A	121.8°	122.5°
N1'	C2'	C3'	C4'	15.5°	23.8°
N1'	C2'	C3'	H3'	140.7°	95.2°
C2'	N1'	C5'	C4'	6.7°	39.5°
C2'	N1'	C5'	H5'	126.7°	158.2°
C2'	N1'	C5'	H5'A	113.3°	79.3°
HN1'	N1'	C2'	C3'	114.5°	159.0°
HN1'	N1'	C2'	H2'	5.5°	40.3°
HN1'	N1'	C2'	H2'A	125.5°	82.2°
HN1'	N1'	C5'	C4'	126.7°	159.0°
HN1'	N1'	C5'	H5'	113.3°	82.2°
HN1'	N1'	C5'	H5'A	6.7°	40.2°
C16	C11	C12	C13	1.8°	0.2°
C16	C11	C12	H12	178.2°	179.8°
C11	C16	C15	C14	1.1°	0.6°
C11	C16	C15	H16	180.0°	179.7°
C11	C16	C15	H15	178.9°	179.7°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.6°	0.0°
C11	C12	C13	F13	179.7°	180.0°
C12	C11	C16	C15	2.1°	0.6°
C12	C11	C16	H16	177.8°	179.8°
C12	C13	C14	F13	179.0°	180.0°
C12	C13	C14	C15	0.4°	0.0°
C12	C13	C14	H14	179.6°	179.9°
H12	C12	C13	C14	179.4°	180.0°
H12	C12	C13	F13	0.3°	0.0°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	0.2°	0.3°
C13	C14	C15	H15	179.9°	180.0°
F13	C13	C14	C15	178.6°	180.0°
F13	C13	C14	H14	1.4°	0.0°
C14	C15	C16	H15	180.0°	179.7°
C14	C15	C16	H16	178.8°	179.7°
H14	C14	C15	C16	179.8°	179.7°
H14	C14	C15	H15	0.2°	0.1°
H15	C15	C16	H16	1.2°	0.1°
C6A	N1A	C2A	C3A	0.9°	0.0°
C6A	N1A	C2A	C7A	179.2°	180.0°
N1A	C6A	C5A	C4A	0.1°	0.1°
N1A	C6A	C5A	N6A	180.0°	179.9°
N1A	C6A	C5A	H5A	179.9°	180.0°
N1A	C6A	N6A	HN6A	0.0°	180.0°
N1A	C6A	N6A	HN6B	120.0°	0.0°
N1A	C2A	C3A	C7A	178.3°	180.0°
N1A	C2A	C3A	C4A	0.5°	0.0°
N1A	C2A	C3A	H3AA	179.5°	180.0°
N1A	C2A	C7A	C4'	119.1°	55.0°
C2A	N1A	C6A	C5A	0.6°	0.1°
C2A	N1A	C6A	N6A	179.4°	180.0°
N1A	C2A	C7A	H7A	120.9°	65.0°
N1A	C2A	C7A	H7AA	0.9°	175.0°
C3'	C2'	H2'	H2'A	121.9°	122.5°
C2'	C3'	C4'	H3'	119.1°	118.9°
C2'	C3'	C4'	C5'	19.8°	0.0°
C2'	C3'	C4'	C7A	144.5°	118.9°
C2'	C3'	C4'	H4'	98.9°	119.0°
H2'	C2'	C3'	C4'	135.5°	94.9°
H2'	C2'	C3'	H3'	99.3°	146.1°
H2'A	C2'	C3'	C4'	104.5°	142.6°
H2'A	C2'	C3'	H3'	20.7°	23.6°
C2A	C3A	C4A	H3AA	180.0°	179.9°
C3A	C2A	C7A	C4'	59.3°	125.0°
C2A	C3A	C4A	C8A	179.5°	180.0°
C2A	C3A	C4A	C5A	0.0°	0.0°
C3A	C2A	C7A	H7A	60.7°	115.0°
C3A	C2A	C7A	H7AA	179.3°	5.0°
C2A	C7A	C4'	C3'	171.8°	175.0°
C7A	C2A	C3A	C4A	178.9°	180.0°
C7A	C2A	C3A	H3AA	1.2°	0.0°
C2A	C7A	C4'	C5'	67.7°	69.4°
C2A	C7A	C4'	H7A	120.0°	120.0°
C2A	C7A	C4'	H7AA	120.0°	120.0°
C2A	C7A	C4'	H4'	50.7°	52.9°
C2A	C7A	H7A	H7AA	121.4°	120.0°
C3'	C4'	C5'	C7A	122.2°	118.9°
C3'	C4'	C5'	H4'	121.3°	118.9°
C3'	C4'	C7A	H4'	121.2°	122.1°
C3'	C4'	C5'	H5'	136.3°	142.6°
C3'	C4'	C5'	H5'A	103.6°	94.9°
C3'	C4'	C7A	H7A	51.9°	55.0°
C3'	C4'	C7A	H7AA	68.2°	65.0°
H3'	C3'	C4'	C5'	139.0°	119.0°
H3'	C3'	C4'	C7A	96.4°	122.2°
H3'	C3'	C4'	H4'	20.3°	0.0°
C3A	C4A	C8A	C5A	179.5°	180.0°
C3A	C4A	C5A	C6A	0.2°	0.0°
C3A	C4A	C5A	H5A	179.8°	179.9°
C3A	C4A	C8A	H8A	90.2°	90.0°
C3A	C4A	C8A	H8AA	149.8°	150.0°
C3A	C4A	C8A	H8AB	29.7°	30.0°
H3AA	C3A	C4A	C8A	0.4°	0.1°
H3AA	C3A	C4A	C5A	180.0°	180.0°
C5'	C4'	C7A	H4'	118.3°	122.3°
C4'	C5'	H5'	H5'A	122.0°	122.4°
C5'	C4'	C7A	H7A	172.3°	170.6°
C5'	C4'	C7A	H7AA	52.3°	50.6°
C7A	C4'	C5'	H5'	101.4°	98.5°
C7A	C4'	C5'	H5'A	18.6°	24.0°
C4'	C7A	H7A	H7AA	121.4°	120.0°
H4'	C4'	C5'	H5'	15.0°	23.7°
H4'	C4'	C5'	H5'A	135.0°	146.2°
H4'	C4'	C7A	H7A	69.3°	67.1°
H4'	C4'	C7A	H7AA	170.7°	172.9°
C8A	C4A	C5A	C6A	179.7°	179.9°
C8A	C4A	C5A	H5A	0.3°	0.0°
C4A	C8A	H8A	H8AA	120.0°	120.0°
C4A	C8A	H8A	H8AB	120.0°	120.0°
C4A	C8A	H8AA	H8AB	120.0°	120.0°
C4A	C5A	C6A	H5A	180.0°	179.9°
C4A	C5A	C6A	N6A	179.9°	180.0°
C5A	C4A	C8A	H8A	90.3°	90.0°
C5A	C4A	C8A	H8AA	29.7°	30.0°
C5A	C4A	C8A	H8AB	149.8°	150.0°
C5A	C6A	N6A	HN6A	180.0°	0.1°
C5A	C6A	N6A	HN6B	60.0°	179.9°
H5A	C5A	C6A	N6A	0.1°	0.1°
C6A	N6A	HN6A	HN6B	120.0°	180.0°
H8A	C8A	H8AA	H8AB	120.0°	120.0°

Definition date:	2010-06-25
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3NLU