**************************************************************************** File name: 1jmc.pdb no. of DNA/RNA chains: 1 [B=8] no. of nucleotides: 8 no. of atoms: 2751 no. of waters: 90 no. of metals: 0 **************************************************************************** List of 4 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 CF B.DC11,A.PHE238 2 nts=3 CCF B.DC12,B.DC13,A.PHE269 3 nts=3 CCR B.DC15,B.DC14,A.ARG210 4 nts=3 CCF B.DC17,B.DC18,A.PHE386 **************************************************************************** Nucleotides not involved in stacking interactions nts=1 C B.DC16 **************************************************************************** List of 1 non-loop single-stranded segment 1 nts=8 CCCCCCCC B.DC11,B.DC12,B.DC13,B.DC14,B.DC15,B.DC16,B.DC17,B.DC18 **************************************************************************** List of 1 splayed-apart dinucleotide 1 B.DC16 B.DC17 angle=89 distance=13.6 ratio=0.70 ---------------------------------------------------------------- Summary of 1 splayed-apart unit 1 nts=2 CC B.DC16,B.DC17 **************************************************************************** Secondary structures in dot-bracket notation (dbn) as a whole and per chain >1jmc nts=8 [whole] CCCCCCCC ........ >1jmc-B #1 nts=8 4.51(1.32) [chain] DNA CCCCCCCC ........ **************************************************************************** Summary of structural features of 8 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 C . B.DC11 0.009 anti,non-pair-contact,ss-non-loop,phosphate 2 C . B.DC12 0.010 anti,~C2'-endo,non-pair-contact,ss-non-loop 3 C . B.DC13 0.009 ~C2'-endo,non-pair-contact,ss-non-loop,phosphate 4 C . B.DC14 0.011 anti,~C3'-endo,non-pair-contact,ss-non-loop 5 C . B.DC15 0.008 anti,~C3'-endo,non-pair-contact,ss-non-loop,phosphate 6 C . B.DC16 0.015 anti,~C2'-endo,non-stack,ss-non-loop,phosphate,splayed-apart 7 C . B.DC17 0.009 anti,~C3'-endo,non-pair-contact,ss-non-loop,splayed-apart 8 C . B.DC18 0.011 anti,~C2'-endo,non-pair-contact,ss-non-loop **************************************************************************** List of 10 additional files 1 dssr-2ndstrs.bpseq -- secondary structure in bpseq format 2 dssr-2ndstrs.ct -- secondary structure in connectivity table format 3 dssr-2ndstrs.dbn -- secondary structure in dot-bracket notation 4 dssr-torsions.txt -- backbone torsion angles and suite names 5 dssr-splays.pdb -- an ensemble of splayed-apart units 6 dssr-stacks.pdb -- an ensemble of base stacks 7 dssr-rotmat.txt -- position vector and rotation matrix 8 dssr-viewV.pdb -- vertical view of the principal moment of inertia 9 dssr-viewH.pdb -- horizontal view of the principal moment of inertia 10 dssr-viewT.pdb -- top view of the principal moment of inertia