Stacking energies at 37 ° :
Data Arangement:
Y
------------------
(X) A C G U
------------------
5' ==> 3'
AX
AY
3' <== 5'
(A) . . . .
(C) . . . .
(G) . . . .
(U) -0.70 -0.10 -0.70 -0.10
--------------------------------
STACKING ENERGIES :
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
AX AX AX AX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . . . . . . . . . . . . -0.90
. . . . . . . . . . . . . . -2.20 .
. . . . . . . . . . . . . -2.10 . -0.60
. . . . . . . . . . . . -1.10 . -1.40 .
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
CX CX CX CX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . . . . . . . . -2.10 . . . .
. . . . . . . . . . -3.30 . . . . .
. . . . . . . . . -2.40 . -1.40 . . . .
. . . . . . . . -2.10 . -2.10 . . . . .
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
GX GX GX GX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . . . . -2.40 . . . . . . . -1.30
. . . . . . -3.40 . . . . . . . -2.50 .
. . . . . -3.30 . -1.50 . . . . . -2.10 . -0.50
. . . . -2.20 . -2.50 . . . . . -1.40 . 1.30 .
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
UX UX UX UX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . -1.30 . . . . . . . -1.00 . . . .
. . -2.40 . . . . . . . -1.50 . . . . .
. -2.10 . -1.00 . . . . . -1.40 . 0.30 . . . .
-0.90 . -1.30 . . . . . -0.60 . -0.50 . . . . .
Terminal mismatch stacking energies at 37 ° (hairpin loops):
Data Arangement:
Y
------------------
(X) A C G U
------------------
5' ==> 3'
AX
AY
3' <== 5'
(A) . . . .
(C) . . . .
(G) . . . .
(U) -0.70 -0.10 -0.70 -0.10
--------------------------------
STACKING ENERGIES : TERMINAL MISMATCHES AND BASE-PAIRS
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
AX AX AX AX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . . . . . . . . . -0.30 -0.50 -0.30 -0.30
. . . . . . . . . . . . -0.10 -0.20 -1.50 -0.20
. . . . . . . . . . . . -1.10 -1.20 -0.20 0.20
. . . . . . . . . . . . -0.30 -0.30 -0.60 -1.10
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
CX CX CX CX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . . . . . -1.50 -1.50 -1.40 -1.80 . . . .
. . . . . . . . -1.00 -0.90 -2.90 -0.80 . . . .
. . . . . . . . -2.20 -2.00 -1.60 -1.10 . . . .
. . . . . . . . -1.70 -1.40 -1.80 -2.00 . . . .
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
GX GX GX GX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . -1.10 -1.50 -1.30 -2.10 . . . . 0.20 -0.50 -0.30 -0.30
. . . . -1.10 -0.70 -2.40 -0.50 . . . . -0.10 -0.20 -1.50 -0.20
. . . . -2.40 -2.90 -1.40 -1.20 . . . . -0.90 -1.10 -0.30 0.00
. . . . -1.90 -1.00 -2.20 -1.50 . . . . -0.30 -0.30 -0.40 -1.10
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
UX UX UX UX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
-0.50 -0.30 -0.60 -0.50 . . . . -0.50 -0.30 -0.60 -0.50 . . . .
-0.20 -0.10 -1.20 -0.00 . . . . -0.20 -0.10 -1.70 0.00 . . . .
-1.40 -1.20 -0.70 -0.20 . . . . -0.80 -1.20 -0.30 -0.70 . . . .
-0.30 -0.10 -0.50 -0.80 . . . . -0.60 -0.10 -0.60 -0.80 . . . .
Terminal mismatch stacking
energies at 37 ° (interior loops):
Data Arangement:
Y
------------------
(X) A C G U
------------------
5' ==> 3'
AX
AY
3' <== 5'
(A) . . . .
(C) . . . .
(G) . . . .
(U) -0.70 -0.10 -0.70 -0.10
--------------------------------
STACKING ENERGIES : TERMINAL MISMATCHES AND BASE-PAIRS
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
AX AX AX AX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . . . . . . . . . 0.70 0.70 -0.40 0.70
. . . . . . . . . . . . 0.70 0.70 0.70 0.70
. . . . . . . . . . . . -0.40 0.70 0.70 0.70
. . . . . . . . . . . . 0.70 0.70 0.70 0.00
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
CX CX CX CX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . . . . . -0.00 -0.00 -1.10 -0.00 . . . .
. . . . . . . . -0.00 -0.00 -0.00 -0.00 . . . .
. . . . . . . . -1.10 -0.00 -0.00 -0.00 . . . .
. . . . . . . . -0.00 -0.00 -0.00 -0.70 . . . .
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
GX GX GX GX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . -0.00 -0.00 -1.10 -0.00 . . . . 0.70 0.70 -0.40 0.70
. . . . -0.00 -0.00 -0.00 -0.00 . . . . 0.70 0.70 0.70 0.70
. . . . -1.10 -0.00 -0.00 -0.00 . . . . -0.40 0.70 0.70 0.70
. . . . -0.00 -0.00 -0.00 -0.70 . . . . 0.70 0.70 0.70 0.00
Y Y Y Y
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
UX UX UX UX
AY CY GY UY
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
0.70 0.70 -0.40 0.70 . . . . 0.70 0.70 -0.40 0.70 . . . .
0.70 0.70 0.70 0.70 . . . . 0.70 0.70 0.70 0.70 . . . .
-0.40 0.70 0.70 0.70 . . . . -0.40 0.70 0.70 0.70 . . . .
0.70 0.70 0.70 0.00 . . . . 0.70 0.70 0.70 0.00 . . . .
Single base stacking energies
at 37 ° :
X X X X
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
AX AX AX AX
A C G U
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . . . . . . . . . -0.80 -0.50 -0.80 -0.60
X X X X
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
CX CX CX CX
A C G U
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . . . . . -1.70 -0.80 -1.70 -1.20 . . . .
X X X X
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
GX GX GX GX
A C G U
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . -1.10 -0.40 -1.30 -0.60 . . . . -0.80 -0.50 -0.80 -0.60
X X X X
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
UX UX UX UX
A C G U
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
-0.70 -0.10 -0.70 -0.10 . . . . -0.70 -0.10 -0.70 -0.10 . . . .
X X X X
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
A A A A
AX CX GX UX
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . . . . . . . . . -0.30 -0.10 -0.20 -0.20
X X X X
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
C C C C
AX CX GX UX
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . . . . . -0.20 -0.30 -0.00 -0.00 . . . .
X X X X
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
G G G G
AX CX GX UX
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
. . . . -0.50 -0.30 -0.20 -0.10 . . . . -0.30 -0.10 -0.20 -0.20
X X X X
------------------ ------------------ ------------------ ------------------
A C G U A C G U A C G U A C G U
------------------ ------------------ ------------------ ------------------
5' --> 3' 5' --> 3' 5' --> 3' 5' --> 3'
U U U U
AX CX GX UX
3' <-- 5' 3' <-- 5' 3' <-- 5' 3' <-- 5'
-0.30 -0.30 -0.40 -0.20 . . . . -0.30 -0.30 -0.40 -0.20 . . . .
Loop free energies at 37 ° :
DESTABILIZING ENERGIES BY SIZE OF LOOP (INTERPOLATE WHERE NEEDED)
hp3 ave calc no tmm;hp4 ave calc with tmm; ave all bulges
SIZE INTERNAL BULGE HAIRPIN
-------------------------------------------------------
1 . 3.80 .
2 . 2.80 .
3 . 3.20 5.70
4 1.70 3.60 5.60
5 1.80 4.00 5.60
6 2.00 4.40 5.40
7 2.20 4.60 5.90
8 2.30 4.70 5.60
9 2.40 4.80 6.40
10 2.50 4.90 6.50
11 2.60 5.00 6.60
12 2.70 5.10 6.70
13 2.80 5.20 6.80
14 2.90 5.30 6.90
15 3.00 5.40 6.90
16 3.00 5.40 7.00
17 3.10 5.50 7.10
18 3.10 5.50 7.10
19 3.20 5.60 7.20
20 3.30 5.70 7.20
21 3.30 5.70 7.30
22 3.40 5.80 7.30
23 3.40 5.80 7.40
24 3.40 5.80 7.40
25 3.50 5.90 7.50
26 3.50 5.90 7.50
27 3.60 6.00 7.50
28 3.60 6.00 7.60
29 3.60 6.00 7.60
30 3.70 6.10 7.70