|
2-aminoA...T
|
MP2/cc-pVTZ noCP
|
|
|
|
2-aminoA...T pl
|
MP2/cc-pVTZ noCP
|
|
|
|
2-thioU....2-thioU
|
MP2/cc-pVTZ noCP
|
|
|
|
6-thioG...C WC
|
MP2/cc-pVTZ noCP
|
|
|
|
6-thioG...G
|
MP2/cc-pVTZ noCP
|
|
|
|
8-oxoG...C WC
|
MP2/cc-pVTZ noCP
|
|
|
|
8-oxoG...G
|
MP2/cc-pVTZ noCP
|
|
|
|
A...4-thioU WC
|
MP2/cc-pVTZ noCP
|
|
|
|
A...A
|
Crystal, PDB ID 1ENN
|
|
|
|
A...A S
|
artificial geometries, ba..
|
|
|
|
A...A1
|
MP2/cc-pVTZ noCP
|
|
|
|
A...A2
|
MP2/cc-pVTZ noCP
|
|
|
|
A...A3
|
MP2/cc-pVTZ noCP
|
|
|
|
A...C
|
MP2/cc-pVTZ noCP
|
|
|
|
A...C S
|
Crystal, PDB ID 5DNB, Dic..
|
|
|
|
A...difluorotoluene WC
|
MP2/cc-pVTZ noCP
|
|
|
|
A...G
|
Crystal, PDB ID 5DNB, Dic..
|
|
|
|
A...G S
|
NMR, hairpin, PDB ID 1PQT
|
|
|
|
A...T S1
|
MP2/TZVPP noCP
|
|
|
|
A...T S2
|
Crystal, PDB ID 1ENN
|
|
|
|
A...T WC
|
MP2/TZVPP noCP
|
|
|
|
AA0/3.24A//As
|
artificial geometries, ba..
|
|
|
|
AA0/3.24A//Tis
|
artificial geometries, ba..
|
|
|
|
AA0/3.24T//Ais
|
artificial geometries, ba..
|
|
|
|
AA0/3.24T//Ts
|
artificial geometries, ba..
|
|
|
|
AA20/3.05AAs2005
|
artificial geometries, ba..
|
|
|
|
AA20/3.05ATis2005
|
artificial geometries, ba..
|
|
|
|
AA20/3.05TAis2005
|
artificial geometries, ba..
|
|
|
|
AA20/3.05TTs2005
|
artificial geometries, ba..
|
|
|
|
ACst
|
artificial geometries, ba..
|
|
|
|
AG08/3.19A//Cis
|
artificial geometries, ba..
|
|
|
|
AG08/3.19A//Gs
|
artificial geometries, ba..
|
|
|
|
AG08/3.19T//Cs
|
artificial geometries, ba..
|
|
|
|
AG08/3.19T//Gis
|
artificial geometries, ba..
|
|
|
|
AT10/3.26A//Ais
|
artificial geometries, ba..
|
|
|
|
AT10/3.26A//Ts
|
artificial geometries, ba..
|
|
|
|
AT10/3.26T//Tis
|
artificial geometries, ba..
|
|
|
|
AUst
|
artificial geometries, ba..
|
|
|
|
C...A
|
NMR, hairpin, PDB ID 1PQT
|
|
|
|
C...C
|
Crystal, PDB ID 5DNB, Dic..
|
|
|
|
C...C 11
|
NMR, hairpin, PDB ID 1PQT
|
|
|
|
C...C H+
|
MP2/cc-pVTZ noCP
|
|
|
|
C...G S
|
NMR, hairpin, PDB ID 1PQT
|
|
|
|
C...G WC
|
NMR, hairpin, PDB ID 1PQT
|
|
|
|
CC 1
|
artificial geometries, mo..
|
|
|
|
CC 10
|
artificial geometries, mo..
|
|
|
|
CC 11
|
artificial geometries, mo..
|
|
|
|
CC 12
|
artificial geometries, mo..
|
|
|
|
CC 13
|
artificial geometries, mo..
|
|
|
|
CC 14
|
artificial geometries, mo..
|
|
|
|
CC 2
|
artificial geometries, mo..
|
|
|
|
CC 3
|
artificial geometries, mo..
|
|
|
|
CC 4
|
artificial geometries, mo..
|
|
|
|
CC 5
|
artificial geometries, mo..
|
|
|
|
CC 6
|
artificial geometries, mo..
|
|
|
|
CC 7
|
artificial geometries, mo..
|
|
|
|
CC 8
|
artificial geometries, mo..
|
|
|
|
CC 9
|
artificial geometries, mo..
|
|
|
|
CCst
|
artificial geometries, ba..
|
|
|
|
CG0/3.19C//Cis
|
artificial geometries, ba..
|
|
|
|
CG0/3.19G//Cs
|
artificial geometries, ba..
|
|
|
|
CG0/3.19G//Gis
|
artificial geometries, ba..
|
|
|
|
CUst
|
artificial geometries, ba..
|
|
|
|
E47-K6(1IU5)
|
crystal structure of the ..
|
|
|
|
E49-K6(1BQ9)
|
crystal structure of the ..
|
|
|
|
E49-K6(1BRF)
|
crystal structure of the ..
|
|
|
|
E50-K30(1BRF)
|
crystal structure of the ..
|
|
|
|
E50-K52(1BRF)
|
crystal structure of the ..
|
|
|
|
E54-K2(1SMM)
|
crystal structure of the ..
|
|
|
|
F30-F49
|
X-ray structure, PDB ID 1..
|
|
|
|
F30-K46
|
X-ray structure, PDB ID 1..
|
|
|
|
F30-L33
|
X-ray structure, PDB ID 1..
|
|
|
|
F30-Y13
|
X-ray structure, PDB ID 1..
|
|
|
|
F30-Y4
|
X-ray structure, PDB ID 1..
|
|
|
|
F49-C39
|
X-ray structure, PDB ID 1..
|
|
|
|
F49-C6
|
X-ray structure, PDB ID 1..
|
|
|
|
F49-K46
|
X-ray structure, PDB ID 1..
|
|
|
|
F49-PB(V5_C6)
|
X-ray structure, PDB ID 1..
|
|
|
|
F49-PB(Y4-V5)
|
X-ray structure, PDB ID 1..
|
|
|
|
F49-V5
|
X-ray structure, PDB ID 1..
|
|
|
|
F49-W37
|
X-ray structure, PDB ID 1..
|
|
|
|
F49-Y4
|
X-ray structure, PDB ID 1..
|
|
|
|
G...2-thioU wobble
|
MP2/cc-pVTZ noCP
|
|
|
|
G...4-thioU wobble
|
MP2/cc-pVTZ noCP
|
|
|
|
G...6-thioG
|
MP2/cc-pVTZ noCP
|
|
|
|
G...A HB
|
NMR, hairpin, PDB ID 1PQT
|
|
|
|
G...A1
|
MP2/cc-pVTZ noCP
|
|
|
|
G...A1 pl
|
MP2/cc-pVTZ noCP
|
|
|
|
G...A2
|
MP2/cc-pVTZ noCP
|
|
|
|
G...A2 pl
|
MP2/cc-pVTZ noCP
|
|
|
|
G...A3
|
MP2/cc-pVTZ noCP
|
|
|
|
G...A4
|
MP2/cc-pVTZ noCP
|
|
|
|
G...C S
|
MP2/TZVPP noCP
|
|
|
|
G...C S1
|
Crystal, PDB ID 5DNB, Dic..
|
|
|
|
G...C S2
|
NMR, hairpin, PDB ID 1PQT
|
|
|
|
G...C S3
|
NMR, hairpin, PDB ID 1PQT
|
|
|
|
G...C WC(1)
|
MP2/TZVPP noCP
|
|
|
|
G...C WC(2)
|
NMR, hairpin, PDB ID 1PQT
|
|
|
|
G...G 10
|
NMR, hairpin, PDB ID 1PQT
|
|
|
|
G...G 9
|
NMR, hairpin, PDB ID 1PQT
|
|
|
|
G...G H-bond
|
MP2/cc-pVTZ noCP
|
|
|
|
G...G interstrand
|
Crystal, PDB ID 5DNB, Dic..
|
|
|
|
G...U wobble
|
MP2/cc-pVTZ noCP
|
|
|
|
GA10/3.15A//Cis
|
artificial geometries, ba..
|
|
|
|
GA10/3.15A//Gs
|
artificial geometries, ba..
|
|
|
|
GA10/3.15T//Cs
|
artificial geometries, ba..
|
|
|
|
GA10/3.15T//Gis
|
artificial geometries, ba..
|
|
|
|
GAst
|
artificial geometries, ba..
|
|
|
|
GC0/3.25C//Cis
|
artificial geometries, ba..
|
|
|
|
GC0/3.25G//Cs
|
artificial geometries, ba..
|
|
|
|
GC0/3.25G//Gis
|
artificial geometries, ba..
|
|
|
|
GCst
|
artificial geometries, ba..
|
|
|
|
GG0/3.36CCs036
|
artificial geometries, ba..
|
|
|
|
GG0/3.36CGis036
|
artificial geometries, ba..
|
|
|
|
GG0/3.36GCis036
|
artificial geometries, ba..
|
|
|
|
GG0/3.36GGs036
|
artificial geometries, ba..
|
|
|
|
GGst
|
artificial geometries, ba..
|
|
|
|
GT10/3.15A//Cs
|
artificial geometries, ba..
|
|
|
|
GT10/3.15A//Gis
|
artificial geometries, ba..
|
|
|
|
GT10/3.15T//Cis
|
artificial geometries, ba..
|
|
|
|
GT10/3.15T//Gs
|
artificial geometries, ba..
|
|
|
|
GUst
|
artificial geometries, ba..
|
|
|
|
I...C WC
|
MP2/cc-pVTZ noCP
|
|
|
|
mA...mT H
|
MP2/TZVPP noCP
|
|
|
|
mA...mT S
|
MP2/TZVPP noCP
|
|
|
|
mA...mT WC(AC)
|
Crystal, PDB ID 5DNB, Dic..
|
|
|
|
mA...mT WC(AT)
|
Crystal, PDB ID 1ENN
|
|
|
|
mG...mC S
|
MP2/TZVPP noCP
|
|
|
|
mG...mC WC
|
MP2/TZVPP noCP
|
|
|
|
mG...mC WC*
|
Crystal, PDB ID 5DNB, Dic..
|
|
|
|
T...C
|
Crystal, PDB ID 5DNB, Dic..
|
|
|
|
T...G S
|
Crystal, PDB ID 5DNB, Dic..
|
|
|
|
T...T
|
Crystal, PDB ID 1ENN
|
|
|
|
TA08/3.16A//Ais
|
artificial geometries, ba..
|
|
|
|
TA08/3.16A//Ts
|
artificial geometries, ba..
|
|
|
|
TA08/3.16T//Tis
|
artificial geometries, ba..
|
|
|
|
TG03.19A//Cs
|
artificial geometries, ba..
|
|
|
|
TG03.19A//Gis
|
artificial geometries, ba..
|
|
|
|
TG03.19T//Cis
|
artificial geometries, ba..
|
|
|
|
TG03.19T//Gs
|
artificial geometries, ba..
|
|
|
|
U...U “calcutta”
|
MP2/cc-pVTZ noCP
|
|
|
|
U...U pl
|
MP2/cc-pVTZ noCP
|
|
|
|
UUst
|
artificial geometries, ba..
|
|
|