Base stacks in non-stem regions

Among the rich set of RNA structural features derived by DSSR, the section of “List of stacks” apparently has not drawn much attention from the user community. As noted in the DSSR output,

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.

As always, the concept is best illustrated via concrete examples. Shown below are two such base stacks automatically identified by DSSR in the PDB entry 4p5j, the crystal structure of the tRNA-mimic from Turnip Yellow Mosaic Virus (TYMV) which was analyzed in detail in the 2015 DSSR NAR paper

tRNA mimic linchpin stablized by base-stacking The D- and T-loops stablized by base-stacking
This critical linchpin in the tRNA mimic is stabilized by extensive base-stacking interactions. The intricate interactions between the D- and T-loops in the tRNA mimic include a five-base stack.

The DSSR-introduced schematic block representation makes the base-stacking interactions immediately obvious. One can even easily discern the identity of bases, given the color-coding convention: A-red; C-yellow; G-green; T-blue; U-cyan. For example, the five stacked bases involved in the interaction of the D- and T-loops are: CAAAC

Moreover, longer and more complicate base-stacks can also be auto-detected by DSSR, as shown below for the asymmetric unit of PDB entry 1j8g, the crystal structure of an RNA quadruplex r(UGGGGU)4 at 0.61 Å resolution. Here DSSR identifies two 10-base stacks, each of UGGGGGGGGU (UG8U).

Two 10-base stacks in 1j8g

The corresponding DSSR output is as below:

List of 2 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=10 UGGGGGGGGU A.U6,A.G5,A.G4,A.G3,A.G2,C.G22,C.G23,C.G24,C.G25,C.U26
   2 nts=10 UGGGGGGGGU B.U16,B.G15,B.G14,B.G13,B.G12,D.G32,D.G33,D.G34,D.G35,D.U36
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