J . Am. Chem. SOC.,Vol. 103, No. 7, 1981 1879
Additions and Corrections
Additions and Corrections Extreme Conformational Flexibility of the Furanose 2607 in DNA and RNA [J. Am. Chem. Soc. 1978,100,26071. M. LEVITT* and ARIEHWARSHEL,Laboratory of Molecular Biology, Cambridge CB2 2QH, England. The coordinate values in Table 11, p 261 1 , were distorted by a nonorthogonal transformation used to rotate them into a common orientation. The correct coordinate values are given in the table below. The errors in the coordinates were introduced in preparing the original table and have no affect on the other published results.
T a b l e t I . C 3 r t e s i a n C o o r d i n 3 t z s 3nd some T o r s i o n A n g l e s of Ten R e l a x e d C o n f o r m a t i o n s
___-________________-----------------------------------------------------------------Atom a n d Nominal p s u e d o r o t a t i o n p h a s e Y ( i n degrees) 0
coordinate
H51
- 1.69
X
- 1.57
r
z ti52
-1.75 1.82 -2.71 0.37 -2.9R 1.36 -0.52 -0.99 0.77 0. 16 - 1.23
-
x
Y
z
H53
x
r
2
CU'
x
H4'
z x Y
-
Y
-0.88
z
01 I
1.23 0.38 -1.11
x
Y
-0.03
2
C3'
- 1.02
x Y
0.70 -0.23 1.13 0.84 1.32 -2.06 1. 40 0.47 -2.1') 2.38 0.34 0.36 1.18 0.21 0.38 I . 37 1-30 0.66 2. 10 0.32 1.28 0.0 -0.11 2.06 0.12 0.67
2
H3'
-
x
Y 2
03'
x
Y
z H03
x
Y 2
C2'
x
r
z
H21
x Y
2
H22
x Y
-
2
C1'
x
Y z H1'
x
-
Y
z N1
1 * 84
X
r
0.09 1.45 2. 72 0.10 -1.62 1. 40 -0.47 -2.26
-
2
HNl
x
Y 2
"2
x
r
z L c t u a l ti U'
20
40
60
.------_ .-- - --- ------..-1.97 -1.69 -0.53 -1.80 -1.64 -1.61 -1.85 -2.12 -0.19 -3.0 1 -1.37 -0.32 -0.98 -0.76 0.21 -1.15 -0.83 1.30 0.37 -1.11 -0. O R
-1.02 0.69 -0.25 -1.11 0.71 -1.35 -2.07 1. 40 0.39 -2.20 2.38 0.22 0.35 1.19 0.20 0.35 1. b o
1. 29 0.65 2.09 -0.35 1.28 0.0 -0.07
1.99 -0.14 0.16 1.94 0.10 -1.36 2.82 0.72 -1.47 1.56
7.8
-0.44 -2.21 21.0
86.')
82.6
-
1.99 -1.71 -0.42 -1.91 1.67 1.52 -1.82 -2.75 -0.09 -3.01 -1.42 -0.13 0.96 -0.78 0.24 -1.05 -0.84 1.34 0.37 -1.09 -0.15 1.04 0.66 -0.23 -1.11 0.73 1.33 -2.08 1.37 0.44 2.23 2.35 0.27 0.35 1.20 0.14 0.35 1.50 1.20 0.64 2.04 -0.51 1.28 0.0 0.00 1.85 -0.15 0.94 2.14 0.10 -1.16 3.03 0.71 -1.13 1.91 -0.41 -2.06 39.4 89.2
--
-
-
. - - _ _ _ _ _.-------
-1.98 -1.71 -0.48 -1.81 1.64 -1.57 -1.81 -2.75 -0.17 -3.01 -1.42 -.o. 20 - 0.97 -0.79 0.22 -1.08 -0.87 1. 32 0. 38 -1.09 0.14 1.04 0.67 -0.22 -1.21 0.76 -1.30 -2.06 ~. 1.37 0.51 -2.22 2.34 0.35 0.35 1.21 0.13 0.37 1.56 1.18 0.64 2.03 -0.59 1-28 0.00 0.00 1.86 -0.14 0.94 2.14
-
-
-
~
0.08 -1.17 3.06 0.65 -1.12 1.87 -0.43 -2.07 39.6 89.4
80
-1.72 -0.51 -1.89 -1.60 -1.60 -1.71 -2.78 -0.26 -2.99 -1. 4 7 -0.19 -0.95 -0.82 0.21 -1.02 -0.97 1.30 0.39 -1.06 -0.21 -1.07 0.66 -0.13 -1. U l 0.81 -1.17 -1.98 1.31 0.71 -2.11 2.29 0.69 0.36 1.22 0.00 0.u4 1.83 0.92 0.61 1.84 -0.87 1.27 0.00 0.13 1.61 -0.12 1.18 2.38
0.04 -0.81 3.24 0.65 -0.60 2.35 -0.57 -1.7 1 73.1 89.6
100
140
120
-_--_-----___ -1.94 -1.81 -1.67 -0.66 -1.84 -1.45 -1.73 -1.75 -2.74 -0.50 -2.97 -1.45 -0.35 0.95 -0.83 0.16 -1.05
-
-1.08
1.24 0.40 -1.05 -0.23
-1.54 -0.92 -1.66 -1.19 -1.94 -1.69 -2.63
-0.88 -2.93 -1.35 -0.70 -0.97 -0.82 0.10 -1.18 -1.19 1.12 0.40 -1.05 -0.21 -1.06 0.70 0.05 -1.7 1
-1.35 -1.22 -1.36
-0.88 -2.14 -1.58 -2.4u -1.30 -2.82 -1.16 -1. 13 -1 .oo
-0.81' 0.01
--1.28 1.36
0.37 1.20 -0.10 0.53 2.01 0.63 0.58 1.60 -1.11 1.25
-0.77 -1.57 1.20 1.30 -1.69 2.18 1.45 0.39 1.17 -0.18 0.60 2.09 0.39 0.53 1.40 -1.26 1.24
0.94 0.39 -1.07 -0.16 -1.03 0.12 0.14 -1.78 1.17 -0.53 -1.35 1.09 1.48 -1.40 2. 0 5 1.75 0.39 1.16 -0.23 0.65 2.11 0.26 0.47 1.30 1.33 1.24
-0.00
0.00
-0.00
0.21 1.43 -0.09 1.30 2.49 -0.01 -0.57 3.33 0.57 -0.23 2.55 -0.59 -1.47
0.24 1.35 -0.04 1.35 2.52 -0.04 -0.45 3.37 0.47 -0.03 2.62
0.24 1.36 0.00 1.34. 2.52
98.2
118.8
-1.08
0.68 -0.04
-1.5R 0.91 -0.99 -1.80 1.27 1.05 -1.98 2.25 1.07
100. 6
1 .os
-0.60 -1.31 116.8
.----___
-
-0.08 -0.46 3.40 0.35
-0.01 2.58 -0.59 -1.41 138.6 134.3
160
.-------
-1.59 -1.18 -1.44 -1.07 -0:63 -2.25 -1.u5 -2.26 -1.61 -2.66 -0.94 1.49 -1.02 -0.78 -0.07 -1.52 -1.3U 0.74 0.38 -1.10
-
-0.08 -1.01 0.12 0.20 -1.81 1.24 -0.35 -1.22 0.96 1.59 -1.24 1.90 1.95 0.39 1.16 -0.24 0.61 2.12 0.23 0.92 1.30 -1.34 1.25 0.00 0.20 1.45 0.05 1.29 2. (t7 -0.12 -0.58 3.40 0.25 -0.18 2.45 -0.59 -1.56 159.7 146.9
180
.-----
-1.43
-1.06 -1.60 -0.87 -0.48 -2.3 1 -1.30 -2.13 -1.83 -2.49
-0.79 -1.76 -1.01 -0.77 -0.15 -1.62 -1.37 0.55 0.37 -1.11 0.01 -1.00
4.70 0.23 -1.82 1.26 -0.25 -1.17 0.85 1.65 -1.17
1.75 2.08 0.38 1.18 -0.23
0.61 2.11 0.29 0.37 1.38 -1.31 1.27 0.0 0.13 1.60 0.07 1.19 2.38 -0.16 -0.79 3. 3 7 0. 14 -0.99 2.21 -0.59 -1.71 182.5 155.6
.----___.---_--_ .------.
