CELL DIMENSIONS FOR MODIFIED A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- AD0009 5'-D(*GP*GP*CP*GP*(CH3)CP*C)-3' C 2 2 21 Y 37.06 46.73 110.69 90.00 90.00 90.00 AD0021 5'-D(*GP*GP*(BRO)CP*GP*(BRO)CP*C)-3' P 43 21 2 Y 60.67 60.67 24.61 90.00 90.00 90.00 AD0022 5'-D(*GP*GP*(CH3)CP*GP*(CH3)CP*C)-3' P 32 2 1 Y 42.34 42.34 179.40 90.00 90.00 120.00 AD0023 5'-D(*GP*GP*(CH3)CP*GP*CP*C)-3' P 32 2 1 Y 41.93 41.93 176.70 90.00 90.00 120.00 AD0024 5'-D(*GP*GP*(BRO)CP*GP*CP*C)-3' P 32 2 1 Y 41.17 41.17 175.12 90.00 90.00 120.00 ADDB01 5'-D(*(I)CP*CP*GP*G)-3' P 43 21 2 Y 41.10 41.10 26.70 90.00 90.00 90.00 ADFB62 5'-D(*GP*(CH3)CP*GP*(CH3)CP*GP*C)-3' C 2 2 21 Y 39.67 45.98 39.96 90.00 90.00 90.00 ADFB63 5'-D(*GP*(CH3)CP*CP*GP*GP*C)-3' C 2 2 21 Y 38.90 45.97 39.05 90.00 90.00 90.00 ADFB72 5'-D(*GP*(CH3)CP*GP*CP*GP*C)-3' C 2 2 21 Y 39.44 45.84 39.52 90.00 90.00 90.00 ADFB97 5'-D(*GP*(CH3)CP*TP*AP*GP*C)-3' P 1 Y 23.88 33.82 40.12 85.05 82.91 74.93 -------------------------------------------------------------------------------- Page 1 created by the NDB Project on Wed May 26 14:22:08 2004 CELL DIMENSIONS FOR MODIFIED A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- ADHB100 5'-D(*GP*(CH3)CP*GP*CP*GP*CP*GP*C)-3', RE- P 43 21 2 Y REFINEMENT 43.07 43.07 25.36 90.00 90.00 90.00 ADHB101 5'-D(*GP*(CH3)CP*GP*(CH3)CP*GP*(CH3)CP*GP*C)-3', P 43 21 2 Y RE-REFINEMENT 43.48 43.48 25.00 90.00 90.00 90.00 ADHB11 5'-D(*GP*GP*(BR)UP*AP*(BR)UP*AP*CP*C)-3' P 61 Y 45.08 45.08 41.72 90.00 90.00 120.00 ADHB21 5'-D(*GP*GP*(CH3)CP*CP*GP*GP*CP*C)-3' P 43 21 2 n.a. 42.51 42.51 24.91 90.00 90.00 90.00 ADHB91 5'-D(*GP*CP*GP*(CH3)CP*GP*(CH3)CP*GP*C)-3' P 43 21 2 Y 43.62 43.62 25.02 90.00 90.00 90.00 ADHB92 5'-D(*GP*(CH3)CP*GP*CP*GP*CP*GP*C)-3' P 43 21 2 Y 43.07 43.07 25.36 90.00 90.00 90.00 ADHB93 5'-D(*GP*(CH3)CP*GP*CP*GP*(CH3)CP*GP*C)-3' P 43 21 2 Y 43.28 43.28 25.28 90.00 90.00 90.00 ADHB94 5'-D(*GP*(CH3)CP*GP*(CH3)CP*GP*CP*GP*C)-3' P 43 21 2 Y 43.18 43.18 25.12 90.00 90.00 90.00 ADHB95 5'-D(*GP*(CH3)CP*GP*(CH3)CP*GP*CP*GP*C)-3' P 43 21 2 Y 42.81 42.81 24.81 90.00 90.00 90.00 ADHB96 5'-D(*GP*(CH3)CP*GP*(CH3)CP*GP*(CH3)CP*GP*C)-3' P 43 21 2 Y 43.48 43.48 25.00 90.00 90.00 90.00 -------------------------------------------------------------------------------- Page 2 created by the NDB Project on Wed May 26 14:22:08 2004 CELL DIMENSIONS FOR MODIFIED A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- ADHB99 5'-D(*AP*CP*GP*TP*AP*CP*GP*(BR)T)-3', P 43 21 2 Y 43.60 43.60 26.27 90.00 90.00 90.00 ADHP36 5'-D(*GP*CP*CP*CP(CH2)*GP*GP*GP*C)-3', G5 CARRIES P 43 21 2 Y A CHARGED, ACHIRAL METHYLENE PHOSPHONATE 43.30 43.30 24.52 90.00 90.00 90.00 ADJB110 5'- P 21 21 21 Y D(*CP*(CH3)CP*GP*CP*(CH3)CP*GP*GP*(CH3)CP*GP*G)-3' 23.90 45.30 46.90 90.00 90.00 90.00 ADJB111 5'- P 61 Y D(*CP*(CH3)CP*GP*CP*(CH3)CP*GP*GP*(CH3)CP*GP*G)-3' 54.90 54.90 45.60 90.00 90.00 120.00 ADJB61 5'-D(*CP*CP*IP*GP*GP*CP*CP*(CH3)CP*GP*G)-3' P 21 21 21 Y 25.02 44.95 47.62 90.00 90.00 90.00 ADJB79 5'-D(*CP*CP*GP*GP*GP*CP*CP*(BR)CP*GP*G)-3', P 61 Y HEXAGONAL FORM 55.68 55.68 46.24 90.00 90.00 120.00 ADJB80 5'-D(*CP*CP*GP*GP*GP*(BR)CP*CP*CP*GP*G)-3', P 21 21 21 Y ORTHOGONAL FORM 24.36 44.29 48.05 90.00 90.00 90.00 ADJB83 5'-D(*CP*CP*GP*GP*GP*CP*CP*(CH3)CP*GP*G)-3', P 61 Y HEXAGONAL FORM 55.03 55.03 45.88 90.00 90.00 120.00 ADJB84 5'-D(*CP*CP*GP*GP*GP*CP*CP*(CH3)CP*GP*G)-3', P 21 21 21 Y ORTHOGONAL FORM 24.78 44.57 48.00 90.00 90.00 90.00 ADJB85 5'-D(*CP*CP*GP*GP*GP*CP*CP*(CH3)CP*GP*G)-3', P 21 21 21 Y ORTHOGONAL FORM 23.64 40.82 43.44 90.00 90.00 90.00 -------------------------------------------------------------------------------- Page 3 created by the NDB Project on Wed May 26 14:22:08 2004 CELL DIMENSIONS FOR MODIFIED A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- ADJB86 5'-D(*CP*(CH3)CP*GP*GP*GP*CP*CP*(CH3)CP*GP*G)-3', P 61 Y HEXAGONAL FORM 54.71 54.71 45.82 90.00 90.00 120.00 ADJB87 5'-D(*CP*(CH3)CP*GP*GP*GP*CP*CP*(CH3)CP*GP*G)-3', P 21 21 21 Y ORTHOGONAL FORM 24.83 44.72 47.91 90.00 90.00 90.00 ADJB88 5'-D(*GP*(CH3)CP*GP*(CH3)CP*GP*CP*GP*CP*GP*C)-3' P 61 2 2 Y 39.33 39.33 77.93 90.00 90.00 120.00 -------------------------------------------------------------------------------- Page 4 created by the NDB Project on Wed May 26 14:22:08 2004