**************************************************************************** File name: 2grb.pdb no. of DNA/RNA chains: 8 [A=5,B=5,C=6,D=6,E=6,F=6,G=6,H=5] no. of nucleotides: 45 no. of atoms: 1160 no. of waters: 178 no. of metals: 12 [K=11,Sr=1] **************************************************************************** List of 2 types of 13 modified nucleotides nt count list 1 I-g 8 A.I3,B.I3,C.I3,D.I3,E.I3,F.I3,G.I3,H.I3 2 U33-u 5 C.U33/1,D.U33/1,E.U33/1,F.U33/1,G.U33/1 **************************************************************************** List of 42 base pairs nt1 nt2 bp name Saenger LW DSSR 1 A.G2 C.G2 G+G -- 06-VI cHW cM+W 2 A.G2 D.G2 G+G -- 06-VI cWH cW+M 3 A.I3 C.I3 g+g -- 06-VI cHW cM+W 4 A.I3 D.I3 g+g -- 06-VI cWH cW+M 5 A.G4 C.G4 G+G -- 06-VI cHW cM+W 6 A.G4 D.G4 G+G -- 06-VI cWH cW+M 7 A.G5 C.G5 G+G -- 06-VI cHW cM+W 8 A.G5 D.G5 G+G -- 06-VI cWH cW+M 9 A.U6 C.U6 U+U Metal -- cWH cW+M 10 A.U6 D.U6 U+U Metal -- cHW cM+W 11 B.G2 C.U33/1 G+u -- -- tSW tm+W 12 B.G2 C.G2 G+G -- 06-VI cWH cW+M 13 B.G2 D.G2 G+G -- 06-VI cHW cM+W 14 B.I3 C.I3 g+g -- 06-VI cWH cW+M 15 B.I3 D.I3 g+g -- 06-VI cHW cM+W 16 B.G4 C.G4 G+G -- 06-VI cWH cW+M 17 B.G4 D.G4 G+G -- 06-VI cHW cM+W 18 B.G5 C.G5 G+G -- 06-VI cWH cW+M 19 B.G5 D.G5 G+G -- 06-VI cHW cM+W 20 B.U6 C.U6 U+U Metal -- cHW cM+W 21 B.U6 D.U6 U+U Metal -- cWH cW+M 22 E.G2 G.G2 G+G -- 06-VI cHW cM+W 23 E.G2 H.G2 G+G -- 06-VI cWH cW+M 24 E.I3 G.I3 g+g -- 06-VI cHW cM+W 25 E.I3 H.I3 g+g -- 06-VI cWH cW+M 26 E.G4 G.G4 G+G -- 06-VI cHW cM+W 27 E.G4 H.G4 G+G -- 06-VI cWH cW+M 28 E.G5 G.G5 G+G -- 06-VI cHW cM+W 29 E.G5 H.G5 G+G -- 06-VI cWH cW+M 30 E.U6 G.U6 U+U Metal -- cWH cW+M 31 E.U6 H.U6 U+U Metal -- cHW cM+W 32 F.G2 G.U33/1 G+u -- -- tSW tm+W 33 F.G2 G.G2 G+G -- 06-VI cWH cW+M 34 F.G2 H.G2 G+G -- 06-VI cHW cM+W 35 F.I3 G.I3 g+g -- 06-VI cWH cW+M 36 F.I3 H.I3 g+g -- 06-VI cHW cM+W 37 F.G4 G.G4 G+G -- 06-VI cWH cW+M 38 F.G4 H.G4 G+G -- 06-VI cHW cM+W 39 F.G5 G.G5 G+G -- 06-VI cWH cW+M 40 F.G5 H.G5 G+G -- 06-VI cHW cM+W 41 F.U6 G.U6 U+U Metal -- cHW cM+W 42 F.U6 H.U6 U+U Metal -- cWH cW+M **************************************************************************** List of 10 multiplets 1 nts=4 gggg A.I3,B.I3,C.I3,D.I3 2 nts=4 GGGG A.G4,B.G4,C.G4,D.G4 3 nts=4 GGGG A.G5,B.G5,C.G5,D.G5 4 nts=4 UUUU A.U6,B.U6,C.U6,D.U6 5 nts=4 gggg E.I3,F.I3,G.I3,H.I3 6 nts=4 GGGG E.G4,F.G4,G.G4,H.G4 7 nts=4 GGGG E.G5,F.G5,G.G5,H.G5 8 nts=4 UUUU E.U6,F.U6,G.U6,H.U6 9 nts=5 GGuGG A.G2,B.G2,C.U33/1,C.G2,D.G2 10 nts=5 GGuGG E.G2,F.G2,G.U33/1,G.G2,H.G2 **************************************************************************** List of 4 helices Note: A helix is defined by base-stacking interactions, regardless of pair type and backbone connectivity, and may contain more than one stem. helix#number[stems-contained] bps=number-of-base-pairs in the helix bp-type: '|' for a canonical WC/wobble pair, '.' otherwise helix-form: classification of a dinucleotide step comprising the bp above the given designation and the bp that follows it. Types include 'A', 'B' or 'Z' for the common A-, B- and Z-form helices, '.' for an unclassified step, and 'x' for a step without a continuous backbone. -------------------------------------------------------------------- helix#1[0] bps=5 strand-1 5'-GgGGU-3' bp-type ..... strand-2 5'-GgGGU-3' helix-form ...x 1 A.G2 D.G2 G+G -- 06-VI cWH cW+M 2 A.I3 D.I3 g+g -- 06-VI cWH cW+M 3 A.G4 D.G4 G+G -- 06-VI cWH cW+M 4 A.G5 D.G5 G+G -- 06-VI cWH cW+M 5 B.U6 D.U6 U+U Metal -- cWH cW+M -------------------------------------------------------------------------- helix#2[0] bps=5 strand-1 5'-GgGGU-3' bp-type ..... strand-2 5'-GgGGU-3' helix-form ...x 1 B.G2 C.G2 G+G -- 06-VI cWH cW+M 2 B.I3 C.I3 g+g -- 06-VI cWH cW+M 3 B.G4 C.G4 G+G -- 06-VI cWH cW+M 4 B.G5 C.G5 G+G -- 06-VI cWH cW+M 5 A.U6 C.U6 U+U Metal -- cWH cW+M -------------------------------------------------------------------------- helix#3[0] bps=5 strand-1 5'-GgGGU-3' bp-type ..... strand-2 5'-GgGGU-3' helix-form ...x 1 E.G2 G.G2 G+G -- 06-VI cHW cM+W 2 E.I3 G.I3 g+g -- 06-VI cHW cM+W 3 E.G4 G.G4 G+G -- 06-VI cHW cM+W 4 E.G5 G.G5 G+G -- 06-VI cHW cM+W 5 E.U6 H.U6 U+U Metal -- cHW cM+W -------------------------------------------------------------------------- helix#4[0] bps=5 strand-1 5'-GgGGU-3' bp-type ..... strand-2 5'-GgGGU-3' helix-form ...x 1 F.G2 H.G2 G+G -- 06-VI cHW cM+W 2 F.I3 H.I3 g+g -- 06-VI cHW cM+W 3 F.G4 H.G4 G+G -- 06-VI cHW cM+W 4 F.G5 H.G5 G+G -- 06-VI cHW cM+W 5 F.U6 G.U6 U+U Metal -- cHW cM+W **************************************************************************** List of 8 base stacks Note: A stack is an ordered list of nucleotides assembled together via base-stacking interactions, regardless of backbone connectivity. Stacking interactions within a stem are *not* included. 1 nts=2 uu D.U33/1,F.U33/1 2 nts=5 GgGGU A.G2,A.I3,A.G4,A.G5,A.U6 3 nts=5 GgGGU D.G2,D.I3,D.G4,D.G5,D.U6 4 nts=5 GgGGU G.G2,G.I3,G.G4,G.G5,G.U6 5 nts=5 GgGGU H.G2,H.I3,H.G4,H.G5,H.U6 6 nts=6 uGgGGU C.U33/1,E.G2,E.I3,E.G4,E.G5,E.U6 7 nts=6 UGGgGu C.U6,C.G5,C.G4,C.I3,C.G2,G.U33/1 8 nts=10 UGGgGGgGGU B.U6,B.G5,B.G4,B.I3,B.G2,F.G2,F.I3,F.G4,F.G5,F.U6 **************************************************************************** Nucleotides not involved in stacking interactions nts=1 u E.U33/1 **************************************************************************** List of 6 atom-base capping interactions dv: vertical distance of the atom above the nucleotide base ----------------------------------------------------------- type atom nt dv 1 sugar O2'@F.G2 A.G2 3.50 2 sugar O4'@F.U33/1 D.U33/1 2.91 3 sugar O4'@F.G2 D.G2 2.81 4 phosphate O3'@H.G4 F.U33/1 3.40 5 sugar O2'@H.G4 F.U33/1 3.43 6 sugar O4'@B.G2 H.G2 2.90 **************************************************************************** List of 8 non-loop single-stranded segments 1 nts=5 GgGGU A.G2,A.I3,A.G4,A.G5,A.U6 2 nts=5 GgGGU B.G2,B.I3,B.G4,B.G5,B.U6 3 nts=6 uGgGGU C.U33/1,C.G2,C.I3,C.G4,C.G5,C.U6 4 nts=6 uGgGGU D.U33/1,D.G2,D.I3,D.G4,D.G5,D.U6 5 nts=6 uGgGGU E.U33/1,E.G2,E.I3,E.G4,E.G5,E.U6 6 nts=6 uGgGGU F.U33/1,F.G2,F.I3,F.G4,F.G5,F.U6 7 nts=6 uGgGGU G.U33/1,G.G2,G.I3,G.G4,G.G5,G.U6 8 nts=5 GgGGU H.G2,H.I3,H.G4,H.G5,H.U6 **************************************************************************** List of 8 G-tetrads 1 glyco-bond=---- sugar=3333 groove=---- planarity=0.322 type=other nts=4 GGGG A.G2,D.G2,B.G2,C.G2 2 glyco-bond=---- sugar=3333 groove=---- planarity=0.327 type=other nts=4 gggg A.I3,D.I3,B.I3,C.I3 3 glyco-bond=---- sugar=3333 groove=---- planarity=0.175 type=other nts=4 GGGG A.G4,D.G4,B.G4,C.G4 4 glyco-bond=---- sugar=3333 groove=---- planarity=0.189 type=other nts=4 GGGG A.G5,D.G5,B.G5,C.G5 5 glyco-bond=---- sugar=3333 groove=---- planarity=0.262 type=other nts=4 GGGG E.G2,H.G2,F.G2,G.G2 6 glyco-bond=---- sugar=3333 groove=---- planarity=0.279 type=other nts=4 gggg E.I3,H.I3,F.I3,G.I3 7 glyco-bond=---- sugar=3333 groove=---- planarity=0.140 type=planar nts=4 GGGG E.G4,H.G4,F.G4,G.G4 8 glyco-bond=---- sugar=3333 groove=---- planarity=0.255 type=bowl nts=4 GGGG E.G5,H.G5,F.G5,G.G5 **************************************************************************** List of 2 G4-helices Note: a G4-helix is defined by stacking interactions of G4-tetrads, regardless of backbone connectivity, and may contain more than one G4-stem. helix#1[1] stems=[#1] layers=4 inter-molecular 1 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG A.G2,D.G2,B.G2,C.G2 2 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 gggg A.I3,D.I3,B.I3,C.I3 3 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG A.G4,D.G4,B.G4,C.G4 4 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG A.G5,D.G5,B.G5,C.G5 step#1 pm(>>,forward) area=12.12 rise=3.27 twist=32.1 step#2 pm(>>,forward) area=6.59 rise=3.48 twist=29.1 step#3 pm(>>,forward) area=14.38 rise=3.66 twist=23.6 strand#1 RNA glyco-bond=---- sugar=3333 nts=4 GgGG A.G2,A.I3,A.G4,A.G5 strand#2 RNA glyco-bond=---- sugar=3333 nts=4 GgGG D.G2,D.I3,D.G4,D.G5 strand#3 RNA glyco-bond=---- sugar=3333 nts=4 GgGG B.G2,B.I3,B.G4,B.G5 strand#4 RNA glyco-bond=---- sugar=3333 nts=4 GgGG C.G2,C.I3,C.G4,C.G5 -------------------------------------------------------------------------- helix#2[1] stems=[#2] layers=4 inter-molecular 1 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG E.G2,H.G2,F.G2,G.G2 2 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 gggg E.I3,H.I3,F.I3,G.I3 3 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG E.G4,H.G4,F.G4,G.G4 4 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG E.G5,H.G5,F.G5,G.G5 step#1 pm(>>,forward) area=11.61 rise=3.28 twist=32.0 step#2 pm(>>,forward) area=6.20 rise=3.50 twist=29.3 step#3 pm(>>,forward) area=14.30 rise=3.72 twist=23.3 strand#1 RNA glyco-bond=---- sugar=3333 nts=4 GgGG E.G2,E.I3,E.G4,E.G5 strand#2 RNA glyco-bond=---- sugar=3333 nts=4 GgGG H.G2,H.I3,H.G4,H.G5 strand#3 RNA glyco-bond=---- sugar=3333 nts=4 GgGG F.G2,F.I3,F.G4,F.G5 strand#4 RNA glyco-bond=---- sugar=3333 nts=4 GgGG G.G2,G.I3,G.G4,G.G5 **************************************************************************** List of 2 G4-stems Note: a G4-stem is defined as a G4-helix with backbone connectivity. Bulges are also allowed along each of the four strands. stem#1[#1] layers=4 inter-molecular loops=0 note=4+0 UUUU parallel 1 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG A.G2,D.G2,B.G2,C.G2 2 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 gggg A.I3,D.I3,B.I3,C.I3 3 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG A.G4,D.G4,B.G4,C.G4 4 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG A.G5,D.G5,B.G5,C.G5 step#1 pm(>>,forward) area=12.12 rise=3.27 twist=32.1 step#2 pm(>>,forward) area=6.59 rise=3.48 twist=29.1 step#3 pm(>>,forward) area=14.38 rise=3.66 twist=23.6 strand#1 U RNA glyco-bond=---- sugar=3333 nts=4 GgGG A.G2,A.I3,A.G4,A.G5 strand#2 U RNA glyco-bond=---- sugar=3333 nts=4 GgGG D.G2,D.I3,D.G4,D.G5 strand#3 U RNA glyco-bond=---- sugar=3333 nts=4 GgGG B.G2,B.I3,B.G4,B.G5 strand#4 U RNA glyco-bond=---- sugar=3333 nts=4 GgGG C.G2,C.I3,C.G4,C.G5 -------------------------------------------------------------------------- stem#2[#1] layers=4 inter-molecular loops=0 note=4+0 UUUU parallel 1 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG E.G2,H.G2,F.G2,G.G2 2 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 gggg E.I3,H.I3,F.I3,G.I3 3 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG E.G4,H.G4,F.G4,G.G4 4 glyco-bond=---- sugar=3333 groove=---- WC-->Major nts=4 GGGG E.G5,H.G5,F.G5,G.G5 step#1 pm(>>,forward) area=11.61 rise=3.28 twist=32.0 step#2 pm(>>,forward) area=6.20 rise=3.50 twist=29.3 step#3 pm(>>,forward) area=14.30 rise=3.72 twist=23.3 strand#1 U RNA glyco-bond=---- sugar=3333 nts=4 GgGG E.G2,E.I3,E.G4,E.G5 strand#2 U RNA glyco-bond=---- sugar=3333 nts=4 GgGG H.G2,H.I3,H.G4,H.G5 strand#3 U RNA glyco-bond=---- sugar=3333 nts=4 GgGG F.G2,F.I3,F.G4,F.G5 strand#4 U RNA glyco-bond=---- sugar=3333 nts=4 GgGG G.G2,G.I3,G.G4,G.G5 **************************************************************************** List of 2 splayed-apart dinucleotides 1 D.U33/1 D.G2 angle=91 distance=14.4 ratio=0.71 2 F.U33/1 F.G2 angle=124 distance=16.8 ratio=0.88 ---------------------------------------------------------------- Summary of 2 splayed-apart units 1 nts=2 uG D.U33/1,D.G2 2 nts=2 uG F.U33/1,F.G2 **************************************************************************** Secondary structures in dot-bracket notation (dbn) as a whole and per chain >2grb nts=45 [whole] GgGGU&GgGGU&uGgGGU&uGgGGU&uGgGGU&uGgGGU&uGgGGU&GgGGU .....&.....&......&......&......&......&......&..... >2grb-A #1 nts=5 3.68(0.11) [chain] RNA GgGGU ..... >2grb-B #2 nts=5 3.59(0.12) [chain] RNA GgGGU ..... >2grb-C #3 nts=6 3.28(0.45) [chain] RNA[5]/1 uGgGGU ...... >2grb-D #4 nts=6 3.66(0.66) [chain] RNA[5]/1 uGgGGU ...... >2grb-E #5 nts=6 3.62(0.23) [chain] RNA[5]/1 uGgGGU ...... >2grb-F #6 nts=6 0.41(1.18) [chain] RNA[5]/1 uGgGGU ...... >2grb-G #7 nts=6 3.11(0.44) [chain] RNA[5]/1 uGgGGU ...... >2grb-H #8 nts=5 3.48(0.10) [chain] RNA GgGGU ..... **************************************************************************** Summary of structural features of 45 nucleotides Note: the first five columns are: (1) serial number, (2) one-letter shorthand name, (3) dbn, (4) id string, (5) rmsd (~zero) of base ring atoms fitted against those in a standard base reference frame. The sixth (last) column contains a comma-separated list of features whose meanings are mostly self-explanatory, except for: turn: angle C1'(i-1)--C1'(i)--C1'(i+1) < 90 degrees break: no backbone linkage between O3'(i-1) and P(i) 1 G . A.G2 0.005 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop,G-tetrad,cap-acceptor 2 g . A.I3 0.070 modified,anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 3 G . A.G4 0.005 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 4 G . A.G5 0.012 anti,~C3'-endo,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad,phosphate 5 U . A.U6 0.006 anti,~C2'-endo,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop 6 G . B.G2 0.004 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop,G-tetrad,cap-donor 7 g . B.I3 0.070 modified,anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 8 G . B.G4 0.005 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 9 G . B.G5 0.004 anti,~C3'-endo,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad,phosphate 10 U . B.U6 0.006 anti,~C2'-endo,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop 11 u . C.U33/1 0.061 modified,anti,~C2'-endo,non-canonical,non-pair-contact,multiplet,ss-non-loop 12 G . C.G2 0.006 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop,G-tetrad,phosphate 13 g . C.I3 0.070 modified,anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 14 G . C.G4 0.005 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 15 G . C.G5 0.005 anti,~C3'-endo,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad,phosphate 16 U . C.U6 0.007 anti,~C2'-endo,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop 17 u . D.U33/1 0.063 modified,anti,~C2'-endo,BI,non-pair-contact,ss-non-loop,cap-acceptor,splayed-apart 18 G . D.G2 0.004 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop,G-tetrad,cap-acceptor,splayed-apart 19 g . D.I3 0.070 modified,anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 20 G . D.G4 0.005 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 21 G . D.G5 0.005 turn,anti,~C3'-endo,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad,phosphate 22 U . D.U6 0.006 anti,~C2'-endo,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop 23 u . E.U33/1 0.061 modified,anti,~C2'-endo,non-stack,ss-non-loop 24 G . E.G2 0.004 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop,G-tetrad 25 g . E.I3 0.070 modified,anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 26 G . E.G4 0.006 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 27 G . E.G5 0.005 turn,anti,~C3'-endo,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad,phosphate 28 U . E.U6 0.006 anti,~C2'-endo,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop 29 u . F.U33/1 0.061 modified,anti,~C2'-endo,non-pair-contact,ss-non-loop,cap-donor,cap-acceptor,splayed-apart 30 G . F.G2 0.004 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop,G-tetrad,cap-donor,phosphate,splayed-apart 31 g . F.I3 0.070 modified,anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 32 G . F.G4 0.005 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 33 G . F.G5 0.004 turn,anti,~C3'-endo,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad,phosphate 34 U . F.U6 0.007 anti,~C2'-endo,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop 35 u . G.U33/1 0.091 modified,anti,non-canonical,non-pair-contact,multiplet,ss-non-loop 36 G . G.G2 0.006 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop,G-tetrad,phosphate 37 g . G.I3 0.069 modified,anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 38 G . G.G4 0.006 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad 39 G . G.G5 0.006 anti,~C3'-endo,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad,phosphate 40 U . G.U6 0.005 anti,~C2'-endo,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop 41 G . H.G2 0.007 anti,~C3'-endo,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop,G-tetrad,cap-acceptor 42 g . H.I3 0.070 modified,anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad,phosphate 43 G . H.G4 0.005 anti,~C3'-endo,BI,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad,cap-donor 44 G . H.G5 0.004 anti,~C3'-endo,non-canonical,non-pair-contact,helix,multiplet,ss-non-loop,G-tetrad,phosphate 45 U . H.U6 0.005 anti,~C2'-endo,non-canonical,non-pair-contact,helix-end,multiplet,ss-non-loop **************************************************************************** List of 14 additional files 1 dssr-pairs.pdb -- an ensemble of base pairs 2 dssr-multiplets.pdb -- an ensemble of multiplets 3 dssr-helices.pdb -- an ensemble of helices (coaxial stacking) 4 dssr-2ndstrs.bpseq -- secondary structure in bpseq format 5 dssr-2ndstrs.ct -- secondary structure in connectivity table format 6 dssr-2ndstrs.dbn -- secondary structure in dot-bracket notation 7 dssr-torsions.txt -- backbone torsion angles and suite names 8 dssr-splays.pdb -- an ensemble of splayed-apart units 9 dssr-stacks.pdb -- an ensemble of base stacks 10 dssr-atom2bases.pdb -- an ensemble of atom-base stacking interactions 11 dssr-rotmat.txt -- position vector and rotation matrix 12 dssr-viewV.pdb -- vertical view of the principal moment of inertia 13 dssr-viewH.pdb -- horizontal view of the principal moment of inertia 14 dssr-viewT.pdb -- top view of the principal moment of inertia