Probabilistic output format for HSQC assignment

  
 

PINE-Imino produces a probabilistic assignment for every HSQC peaks.  This means that it is possible for some peaks to have more than one nucleotide candidate.   In these cases, an associated probability is assigned to each candidate. The probability associated with nucleotide '0' is the probability that the HSQC peaks does not correspond to any nucleotide in the sequence. The sum of all probabilities always adds to one.  See the sample output shown in the table below.

 

  
     
 

 
 

1H 15N Prob. Nucleo. Prob. Nucleo. Prob. Nucleo. Prob. Nucleo. Prob. Nucleo.
                     
13.487 147.96 1 2 0 0 0 1 0 10 0 16
13.292 147.97 0.5 16 0.5 17 0 10 0 0 0 1
12.977 146.91 0.5 16 0.5 17 0 10 0 0 0 1
12.88 147.41 1 1 0 0 0 2 0 10 0 16
12.762 146.75 0.87 10 0.13 16 0 0 0 1 0 2
12.657 147.7 0.5 16 0.5 17 0 10 0 0 0 1
12.512 147.05 1 20 0 0 0 1 0 2 0 10
12.312 146.73 0.5 16 0.5 17 0 10 0 0 0 1
10.821 145.83 0.94 0 0.06 10 0 1 0 2 0 16
14.481 162.27 1 3 0 0 0 4 0 9 0 13
13.933 162.76 0.97 0 0.02 13 0.02 19 0 3 0 4
13.793 162.35 1 4 0 0 0 3 0 9 0 13
13.679 162.65 1 9 0 0 0 3 0 4 0 13
13.656 160.63 0.97 0 0.02 13 0.02 19 0 3 0 4