CELL DIMENSIONS FOR MODIFIED B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BD0011 5'-D(*CP*GP*(BRO)CP*AP*TP*AP*TP*TP*TP*GP*CP*G)- P 21 21 21 Y 3', 5'-D(*CP*GP*CP*AP*AP*AP*TP*AP*TP*GP*CP*G)-3' 25.19 40.58 66.01 90.00 90.00 90.00 BD0021 5'-D(*CP*CP*AP*GP*(XL1)GP*CP*CP*TP*GP*G)-3' P 21 21 21 Y 34.44 43.18 72.41 90.00 90.00 90.00 BD0031 5'-D(*CP*GP*CP*GP*(OCH3)AP*AP*TP*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.50 39.80 66.50 90.00 90.00 90.00 BD0043 5'-D(*CP*GP*CP*GP*AP*AP*TP*(FOR)UP*CP*GP*CP*G)-3' P 21 21 21 Y 25.80 39.30 65.00 90.00 90.00 90.00 BD0044 5'-D(*CP*GP*CP*GP*AP*AP*TP*(FOR)UP*CP*GP*CP*G)-3' P 21 21 21 Y 26.00 39.50 65.70 90.00 90.00 90.00 BD0045 5'-D(*CP*GP*CP*GP*AP*AP*TP*(FOR)UP*CP*GP*CP*G)-3' P 21 21 21 Y 25.20 41.20 65.40 90.00 90.00 90.00 BD0046 5'-D(*CP*GP*CP*GP*AP*AP*TP*(FOR)UP*CP*GP*CP*G)-3' P 21 21 21 Y 25.30 41.70 66.00 90.00 90.00 90.00 BD0048 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(OME)CP*GP*CP*GP)-3' P 21 21 21 Y 25.18 40.88 63.73 90.00 90.00 90.00 BD0049 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(OME)CP*GP*CP*GP)-3' P 21 21 21 Y 25.30 41.40 64.30 90.00 90.00 90.00 BD0053 5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*(OME)CP*GP*CP*G)-3' P 21 21 21 Y 24.80 40.30 65.50 90.00 90.00 90.00 ------------------------------------------------------------------------------- Page 1 created by the NDB Project on Wed May 26 14:22:15 2004 CELL DIMENSIONS FOR MODIFIED B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BDBP23 5'-D(*CP(CH3)*G)-3' P 41 21 2 Y 19.26 19.26 30.34 90.00 90.00 90.00 BDFP24 5'-D(RP*GP(S)*CP*GP(S)*CP*GP(S)*C)-3' P 21 21 21 Y 34.90 39.15 20.64 90.00 90.00 90.00 BDJB27 5'-D(*CP*CP*AP*GP*GP*CP*(CH3)CP*TP*GP*G)-3' P 6 Y 53.77 53.77 34.35 90.00 90.00 120.00 BDJB43 5'-D(*CP*CP*AP*AP*CP*IP*TP*TP*GP*G)-3', TRIGONAL P 32 2 1 Y 33.23 33.23 94.77 90.00 90.00 120.00 BDJB44 5'-D(*CP*CP*AP*AP*CP*IP*TP*TP*GP*G)-3', MONOCLINIC C 2 Y 31.87 25.69 34.21 90.00 114.10 90.00 BDJB48 5'-D(*CP*GP*AP*TP*CP*GP*(CH3)AP*TP*CP*G)-3' P 32 2 1 Y 33.38 33.38 98.30 90.00 90.00 120.00 BDJB49 5'-D(*CP*CP*AP*GP*GP*CP*(CH3)CP*TP*GP*G)-3' P 6 Y 53.77 53.77 34.35 90.00 90.00 120.00 BDJB50 5'-D(*CP*CP*AP*GP*GP*CP*(CH3)CP*TP*GP*G)-3' P 6 Y 53.77 53.77 34.35 90.00 90.00 120.00 BDJB57 5'-D(*CP*CP*AP*(O)GP*CP*GP*CP*TP*GP*G)-3' C 2 Y 32.27 25.56 34.71 90.00 115.77 90.00 BDJB77 5'-D(*CP*CP*IP*IP*IP*CP*CP*CP*GP*G)-3' P 31 Y 33.24 33.24 45.41 90.00 90.00 120.00 ------------------------------------------------------------------------------- Page 2 created by the NDB Project on Wed May 26 14:22:15 2004 CELL DIMENSIONS FOR MODIFIED B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BDJS30 5'-D(*CP*CP*AP*GP*GP*CP*)-ARA(*CP*)-D(*TP*GP*G)-3' C 2 n.a. 31.97 25.56 34.62 90.00 114.50 90.00 BDLB03 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(BR)CP*GP*CP*G)-3', P 21 21 21 Y MPD, 293K 24.71 40.56 65.62 90.00 90.00 90.00 BDLB04 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(BR)CP*GP*CP*G)-3', P 21 21 21 Y MPD, 280K 24.20 40.09 63.95 90.00 90.00 90.00 BDLB13 5'-D(*CP*GP*CP*GP*AP*(CH3)AP*TP*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.62 40.39 67.32 90.00 90.00 90.00 BDLB40 5'-D(*CP*GP*CP*IP*AP*AP*TP*TP*CP*GP*CP*G)-3' P 21 21 21 Y 24.90 40.40 66.40 90.00 90.00 90.00 BDLB72 5'- P 21 21 21 Y D(*CP*GP*(CH3)CP*GP*AP*AP*TP*TP*(CH3)CP*GP*CP*G)- 3', 100 K 25.43 40.49 65.32 90.00 90.00 90.00 BDLB73 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(CH3)CP*GP*CP*G)-3' P 21 21 21 Y 25.39 40.84 65.86 90.00 90.00 90.00 BDLB74 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(CH3)CP*GP*CP*G)- P 21 21 21 Y 3', 100 K 24.83 40.32 65.56 90.00 90.00 90.00 BDLB76 5'-D(*CP*GP*CP*AP*IP*AP*TP*(CH3)CP*TP*GP*CP*G)-3' P 21 21 21 Y 24.40 40.22 65.27 90.00 90.00 90.00 BDLB82 5'-D(*CP*GP*CP*AP*IP*AP*TP*(CH3)CP*TP*GP*CP*G)-3' P 21 21 21 Y 24.94 40.54 65.00 90.00 90.00 90.00 ------------------------------------------------------------------------------- Page 3 created by the NDB Project on Wed May 26 14:22:15 2004 CELL DIMENSIONS FOR MODIFIED B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BDLB83 5'-D(*AP*CP*CP*GP*CP*(CH3)CP*GP*GP*CP*GP*CP*C)-3' R 3 Y 65.53 65.53 46.35 90.00 90.00 120.00 BDLB84 5'- P 21 21 21 Y D(*CP*GP*CP*GP*AP*AP*(FLO)TP*(FLO)TP*CP*GP*CP*G)- 3' 24.93 39.82 65.62 90.00 90.00 90.00 BDLB85 5'-D(*CP*GP*CP*GP*AP*AP*(FLO)TP*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.20 39.71 65.68 90.00 90.00 90.00 BDLS67 5'-D(*CP*GP*CP*GP*AP*AP*)-(S)D(*TP*TP*)- P 21 21 21 Y D(*CP*GP*CP*G)-3' 24.99 40.36 65.99 90.00 90.00 90.00 BDLS79 5'-D(*CP*GP*CP*GP*AP*AP*)-(CH3)C(*TP*TP*)- P 21 21 21 Y D(*CP*GP*CP*G)-3' 25.20 40.80 66.27 90.00 90.00 90.00 BDLS80 5'-D(*CP*GP*CP*GP*AP*AP*)-(OH)C(*TP*TP*)- P 21 21 21 Y D(*CP*GP*CP*G)-3' 24.88 40.27 66.49 90.00 90.00 90.00 UD0005 5'-D(*GP*(5IU)P*TP*GP*CP*AP*AP*C)-3' C 2 Y 94.74 23.98 96.52 90.00 93.24 90.00 UDIB70 5'-D(*GP*(BRO)CP*GP*AP*AP*AP*GP*CP*T)-3' P 63 2 2 Y 37.56 37.56 65.39 90.00 90.00 120.00 ------------------------------------------------------------------------------- Page 4 created by the NDB Project on Wed May 26 14:22:15 2004