NMR STRUCTURES OF B-DNA D(CTACTGCTTTAG).D(CTAAAGCAGTAG)
An NMR and molecular modelling analysis of d(CTACTGCTTTAG). d(CTAAAGCAGTAG) reveals that the particular behaviour of TpA steps is related to edge-to-edge contacts of their base-pairs in the major groove
back calculated data agree with experimental NOESY spectrum
MODEL 1: AVERAGE OF THE EIGHT STRUCTURES OBTAINED WITH JUMNA AND AMBER94 AS FORCE FIELD. MODEL 2: AVERAGE OF THE EIGHT STRUCTURES OBTAINED WITH JUMNA AND FLEX AS FORCE FIELD. MODEL 3: AVERAGE OF THE SIX STRUCTURES OBTAINED WITH X- PLOR.
4 MM DNA DUPLEX, 0.4 ML POTASSIUM DIHYDROGEN PHOSPHATE DISODIUM HYDROGEM PHOSPHATE BUFFER; 100% D2O
4 MM DNA DUPLEX, 0.4 ML POTASSIUM DIHYDROGEN PHOSPHATE DISODIUM HYDROGEM PHOSPHATE BUFFER; 90% H2O, 10%D2O