CELL DIMENSIONS FOR PLAIN B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BD0001 5'-D(*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)-3' R 3 Y 64.07 64.07 44.68 90.00 90.00 120.00 BD0002 5'-D(*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)-3' P 1 Y 40.54 40.11 40.47 82.62 116.20 80.68 BD0003 5'-D(*AP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*T)-3' P 43 Y 40.21 40.21 57.58 90.00 90.00 90.00 BD0004 5'-D(CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' R 3 Y 41.96 41.96 101.40 90.00 90.00 120.00 BD0005 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.30 40.24 65.94 90.00 90.00 90.00 BD0007 5'-D(*CP*GP*CP*GP*AP*AP*(TAF)P*TP*CP*GP*CP*G)-3' P 21 21 21 Y 24.64 39.63 65.53 90.00 90.00 90.00 BD0012 5'-D(*CP*GP*CP*GP*AP*AP*(TAF)P*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.11 39.73 65.83 90.00 90.00 90.00 BD0013 5'-D(*CP*GP*CP*GP*AP*AP*(TAF)P*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.07 39.72 65.77 90.00 90.00 90.00 BD0015 5'-D(*CP*CP*GP*CP*CP*GP*GP*CP*GP*G)-3' R 3 Y 53.70 53.70 45.00 90.00 90.00 120.00 BD0023 5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3' C 2 Y 31.73 25.70 34.22 90.00 116.90 90.00 ------------------------------------------------------------------------------- Page 1 created by the NDB Project on Wed May 26 14:22:11 2004 CELL DIMENSIONS FOR PLAIN B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BD0026 5'-D(*CP*AP*TP*GP*GP*GP*CP*CP*CP*AP*TP*G)-3' P 41 21 2 Y 40.20 40.20 77.34 90.00 90.00 90.00 BD0028 5'-D(*CP*CP*GP*CP*TP*AP*GP*CP*GP*G)-3' C 2 Y 64.10 25.90 39.90 90.00 122.00 90.00 BD0029 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.30 40.24 65.94 90.00 90.00 90.00 BD0030 5'-D(*CP*GP*CP*GP*AP*AP*(TAF)P*TP*CP*GP*CP*G)-3' P 21 21 21 Y 24.62 39.73 65.74 90.00 90.00 90.00 BD0033 5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*GP*G)-3' C 2 Y 32.00 25.37 33.63 90.00 112.98 90.00 BD0034 5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*GP*G)-3' C 2 Y 31.85 25.10 34.14 90.00 114.87 90.00 BD0035 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3' C 2 Y 32.24 25.35 34.19 90.00 117.17 90.00 BD0036 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3' C 2 Y 31.75 25.73 34.09 90.00 116.88 90.00 BD0038 5'-D(*CP*GP*CP*GP*AP*AP*(TLC)P*(TLC)P*CP*GP*CP*G)- P 21 21 21 Y 3' 25.28 40.55 65.13 90.00 90.00 90.00 BD0039 5'-D(*GP*GP*CP*GP*CP*C)-3' P 41 2 2 Y 42.59 42.59 63.30 90.00 90.00 90.00 ------------------------------------------------------------------------------- Page 2 created by the NDB Project on Wed May 26 14:22:11 2004 CELL DIMENSIONS FOR PLAIN B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BD0040 5'-D(*GP*GP*CP*GP*CP*C)-3' P 41 21 2 Y 71.50 71.50 59.63 90.00 90.00 90.00 BD0041 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.59 40.82 66.67 90.00 90.00 90.00 BD0047 5'-D(*GP*CP*AP*AP*AP*CP*GP*TP*TP*TP*GP*C)-3' P 31 2 1 Y 39.64 39.64 98.59 90.00 90.00 120.00 BD0050 5'-D(*GP*GP*CP*GP*CP*C)-3' P 41 2 2 Y 42.59 42.59 63.50 90.00 90.00 90.00 BD0051 5'-D(*CP*CP*TP*TP*TP*AP*AP*AP*GP*G)-3' P 21 21 21 Y 35.56 38.74 32.51 90.00 90.00 90.00 BD0052 5'-D(*AP*CP*CP*GP*AP*AP*TP*TP*CP*GP*GP*T)-3' P 1 Y 39.82 40.16 39.46 74.42 76.44 59.90 BD0054 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.94 40.74 66.20 90.00 90.00 90.00 BD0055 5'-D(*CP*CP*AP*AP*IP*AP*TP*TP*GP*G)-3' C 2 Y 32.21 25.14 34.14 90.00 114.70 90.00 BD0057 5'-D(*CP*GP*CP*TP*TP*AP*TP*AP*TP*GP*CP*G)-3' P 21 21 21 Y 25.08 39.91 66.47 90.00 90.00 90.00 BD0059 5'-D(*GP*CP*TP*TP*AP*AP*TP*TP*CP*G)-3' P 21 21 21 Y 21.11 54.01 74.19 90.00 90.00 90.00 ------------------------------------------------------------------------------- Page 3 created by the NDB Project on Wed May 26 14:22:11 2004 CELL DIMENSIONS FOR PLAIN B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BD0060 5'-D(*CP*GP*CP*GP*AP*AP*(TFT)P*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.28 40.08 65.86 90.00 90.00 90.00 BD0062 5'-D(*CP*GP*CP*GP*AP*AP*(MTR)P*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.17 41.05 65.72 90.00 90.00 90.00 BD0063 5'-D(*GP*GP*CP*GP*CP*C)-3' P 41 21 2 Y 68.94 68.94 55.27 90.00 90.00 90.00 BD0064 5'-D(*GP*GP*CP*GP*CP*C)-3' P 41 21 2 Y 68.99 68.99 56.18 90.00 90.00 90.00 BD0065 5'-D(*GP*GP*CP*GP*CP*C)-3' P 41 21 2 Y 68.80 68.80 55.28 90.00 90.00 90.00 BD0066 5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3' I 21 21 21 Y 26.22 44.36 52.34 90.00 90.00 90.00 BDH071 5'-D(*CP*GP*CP*TP*AP*GP*CP*G)-3' P 21 21 21 Y 24.77 41.52 115.89 90.00 90.00 90.00 BDJ017 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G)-3' C 2 Y 32.15 25.49 34.82 90.00 116.71 90.00 BDJ019 5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*GP*G)-3' C 2 Y 32.25 25.53 34.38 90.00 113.40 90.00 BDJ025 5'-D(*CP*GP*AP*TP*CP*GP*AP*TP*CP*G)-3' P 21 21 21 Y 38.93 39.63 33.30 90.00 90.00 90.00 ------------------------------------------------------------------------------- Page 4 created by the NDB Project on Wed May 26 14:22:11 2004 CELL DIMENSIONS FOR PLAIN B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BDJ031 5'-D(*CP*GP*AP*TP*TP*AP*AP*TP*CP*G)-3' P 21 21 21 Y 38.60 39.10 33.07 90.00 90.00 90.00 BDJ036 5'-D(*CP*GP*AP*TP*AP*TP*AP*TP*CP*G)-3', CALCIUM P 21 21 21 Y 38.76 40.06 33.73 90.00 90.00 90.00 BDJ037 5'-D(*CP*GP*AP*TP*AP*TP*AP*TP*CP*G)-3', MAGNESIUM P 21 21 21 Y 38.69 39.56 33.64 90.00 90.00 90.00 BDJ039 5'-D(*CP*CP*GP*GP*CP*GP*CP*CP*GP*G)-3' R 3 Y 54.07 54.07 44.59 90.00 90.00 120.00 BDJ051 5'-D(*CP*AP*TP*GP*GP*CP*CP*AP*TP*G)-3' P 21 21 21 Y 36.60 42.49 34.69 90.00 90.00 90.00 BDJ052 5'-D(*CP*CP*AP*AP*GP*CP*TP*TP*GP*G)-3', CALCIUM P 6 Y 53.08 53.08 34.32 90.00 90.00 120.00 BDJ055 5'-D(*CP*CP*AP*TP*TP*AP*AP*TP*GP*G)-3' P 32 2 1 Y 33.20 33.20 96.04 90.00 90.00 120.00 BDJ060 5'-D(*CP*TP*CP*TP*CP*GP*AP*GP*AP*G)-3' C 2 Y 62.23 24.32 40.83 90.00 126.78 90.00 BDJ061 5'-D(*CP*CP*AP*CP*TP*AP*GP*TP*GP*G)-3' P 32 2 1 Y 32.90 32.90 95.10 90.00 90.00 120.00 BDJ069 5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3' C 2 Y 63.63 24.70 38.29 90.00 110.27 90.00 ------------------------------------------------------------------------------- Page 5 created by the NDB Project on Wed May 26 14:22:11 2004 CELL DIMENSIONS FOR PLAIN B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BDJ081 5'-D(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3' C 2 Y 59.82 28.28 72.49 90.00 103.87 90.00 BDL001 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 290 P 21 21 21 Y K 24.87 40.39 66.20 90.00 90.00 90.00 BDL002 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 16 K P 21 21 21 Y 23.44 39.31 65.26 90.00 90.00 90.00 BDL005 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 290 P 21 21 21 Y K, USING ANISOTROPIC THERMAL MOTION MODEL 24.87 40.39 66.20 90.00 90.00 90.00 BDL006 5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3' P 21 21 21 Y 25.40 40.70 65.80 90.00 90.00 90.00 BDL007 5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3' P 21 21 21 Y 23.54 38.86 66.57 90.00 90.00 90.00 BDL015 5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*TP*GP*CP*G)-3' P 21 21 21 Y 24.54 40.32 65.86 90.00 90.00 90.00 BDL016 5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3' P 21 21 21 n.a. 25.20 41.65 65.81 90.00 90.00 90.00 BDL018 5'-D(*AP*CP*CP*GP*GP*CP*GP*CP*CP*AP*CP*A)-3', 0 C R 3 Y 65.90 65.90 47.10 90.00 90.00 120.00 BDL020 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', RE- P 21 21 21 Y REFINEMENT 24.87 40.39 66.20 90.00 90.00 90.00 ------------------------------------------------------------------------------- Page 6 created by the NDB Project on Wed May 26 14:22:11 2004 CELL DIMENSIONS FOR PLAIN B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BDL028 5'-D(*CP*GP*TP*GP*AP*AP*TP*TP*CP*AP*CP*G)-3' P 21 21 21 Y 24.78 40.85 65.67 90.00 90.00 90.00 BDL029 5'-D(*CP*GP*TP*GP*AP*AP*TP*TP*CP*AP*CP*G)-3' P 21 21 21 Y 24.94 40.78 66.13 90.00 90.00 90.00 BDL035 5'-D(*AP*CP*CP*GP*CP*CP*GP*GP*CP*GP*CP*C)-3',-15 C R 3 Y 65.89 65.89 47.09 90.00 90.00 120.00 BDL038 5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3' P 21 21 21 Y 24.87 40.90 65.64 90.00 90.00 90.00 BDL042 5'-D(*CP*GP*TP*AP*GP*AP*TP*CP*TP*AP*CP*G)-3' C 2 Y 64.84 35.36 25.35 90.00 92.24 90.00 BDL047 5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*AP*AP*CP*G)-3' P 21 21 2 Y 44.78 66.05 42.91 90.00 90.00 90.00 BDL059 5'-D(*CP*GP*CP*GP*TP*TP*AP*AP*CP*GP*CP*G)-3' P 21 21 21 Y 25.70 40.50 67.00 90.00 90.00 90.00 BDL070 5'-D(*CP*GP*CP*TP*CP*TP*AP*GP*AP*GP*CP*G)-3' P 21 Y 35.05 68.91 26.15 90.00 91.16 90.00 BDL075 5'-D(*CP*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*G)-3' P 21 21 21 Y 25.43 39.74 65.25 90.00 90.00 90.00 BDL078 5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3' P 21 21 21 Y 24.28 39.35 66.37 90.00 90.00 90.00 ------------------------------------------------------------------------------- Page 7 created by the NDB Project on Wed May 26 14:22:11 2004 CELL DIMENSIONS FOR PLAIN B-DNA'S ------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord ------------------------------------------------------------------------------- BDL084 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' P 21 21 21 Y 25.19 40.21 65.66 90.00 90.00 90.00 DD0054 5'-D(*CP*GP*AP*TP*CP*G)-3' P 43 21 2 Y 37.81 37.81 63.02 90.00 90.00 90.00 UD0029 5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3' P 61 2 2 Y 33.38 33.38 87.67 90.00 90.00 120.00 UD0041 5'-D(*GP*CP*AP*TP*GP*CP*T)-3' C 2 2 2 Y 22.53 58.47 24.15 90.00 90.00 90.00 ------------------------------------------------------------------------------- Page 8 created by the NDB Project on Wed May 26 14:22:11 2004