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Secondary structures in RNA

I'm using mfold in order to determine the structure of an RNA sequence. However, I don't quite understand how to intrepret the thermodynamic results. Say, I'm looking at the helix with -4.70 gibbs energy. Using the two closing pairs, "closing pair g94-c99" and "external closing pair c22-g73" how do I trace that helix structure out on the predicted structure?

Structural element     δG        Information
External loop          -1.50     12 ss bases & 1 closing helices.
Stack                  -2.50     External closing pair is g9-c126
Stack                  -1.50     External closing pair is u10-g125
Stack                  -2.10     External closing pair is c11-g124
Stack                  -1.30     External closing pair is u12-a123
Stack                  -2.20     External closing pair is a13-u122
Stack                  -1.40     External closing pair is c14-g121
Stack                  -2.10     External closing pair is g15-u120
Stack                  -3.40     External closing pair is g16-c119
       Helix           -16.50    9 base pairs.
Multi-loop             3.80      External closing pair is c17-g118
                                 4 ss bases & 3 closing helices.
Stack                  -2.50     External closing pair is g74-u117
Stack                  -3.30     External closing pair is c75-g116
Stack                  -2.10     External closing pair is c76-g115
Stack                  -1.40     External closing pair is u77-g114
Stack                  -3.30     External closing pair is g78-c113
Stack                  -2.20     External closing pair is g79-c112
       Helix           -14.80    7 base pairs.
Interior loop          3.30      External closing pair is u80-a111
Stack                  -2.10     External closing pair is c86-g107
       Helix           -2.10     2 base pairs.
Interior loop          -3.50     External closing pair is u87-g106
Interior loop          1.10      External closing pair is g90-c103
Stack                  -1.40     External closing pair is u92-g101
Stack                  -3.30     External closing pair is g93-c100
       Helix           -4.70     3 base pairs.
Hairpin loop           0.20      Closing pair is g94-c99
Stack                  -3.30     External closing pair is c22-g73
       Helix           -3.30     2 base pairs.
Bulge loop             1.70      External closing pair is c23-g72
Stack                  -2.20     External closing pair is a24-u70
Stack                  -3.30     External closing pair is c25-g69
Stack                  -3.30     External closing pair is c26-g68
Stack                  -2.10     External closing pair is c27-g67
Stack                  -2.10     External closing pair is u28-a66
       Helix           -13.00    6 base pairs.
Interior loop          1.60      External closing pair is g29-c65
Stack                  -3.40     External closing pair is g33-c60
       Helix           -3.40     2 base pairs.
Interior loop          0.70      External closing pair is c34-g59
Stack                  -3.30     External closing pair is c37-g56
Stack                  -2.40     External closing pair is c38-g55
Stack                  -2.40     External closing pair is g39-c54
       Helix           -8.10     4 base pairs.
Interior loop          2.20      External closing pair is a40-u53
Stack                  -2.40     External closing pair is u43-a50
       Helix           -2.40     2 base pairs.
Hairpin loop           4.50      Closing pair is c44-g49
structure mfold

What exactly is your question?

  • How does Mfold in general computes the energy?
  • Or how does Mfold calculate explicitly the closing loops?

@linus My question is what are external closing pairs, what are closing pairs, and what is the meaning the statement "3 base pairs" in this context. In the end I want to be able to understand/point out where the helix is in the predicted structure picture.

Okay maybe this helps:

g94 : Base G at position 94 in your sequence

c99: Base C at position 99 in your sequence

So your hairpin loop contains the sequence from 95-98 and is closed by the pair GC basepair.

(i can color it in the picture if you want.)

Ps: it is at the bottom next to the 100 ;)

Thank you! My other question is how does that relate to c22-g73 in the helix structure?

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