Friday February 18, 2011

Output for Srna Job ID: 7351
Folded seq.: NM_008874_CD300
Ensemble centroid in comparison with the minimum free energy structure
Ensemble centroid (EC) structure diagram
 
Minimum free energy (MFE) structure diagram
 
Number of common base pairs between MFE and EC (BP in green) 106
Number of base pairs only in MFE (BP in blue) 111
Number of base pairs only in EC (BP in red) 67
Base pair distance between MFE and EC 178
Comparison of MFE and EC in circle diagram format
 


Cluster representation of the Boltzmann ensemble
  Cluster # Size Cluster centroid Cluster 2Dhist
  1 0.887
 
 
* 2 0.085
 
 
  3 0.028
 
 

(* marks the cluster in which the MFE structure is located)


Two-dimensional histograms for all clusters in panel format
 
Circle diagrams for all cluster centroids in panel format
 
Multi-dimensional scaling (MDS) plot of the sampled
ensemble and representative structures
 
Energy landscape of the sampled ensemble and
representative structures


Base pair frequencies in the sample
Two-dimensional histogram of base pairs in the sample
 


Ad hoc representation based on free energy intervals
Structure # Free energy interval Sample frequency Lowest free energy Structure diagram
1 [ -247.80, -244.52) 0.027 -247.80
 
2 [ -244.52, -241.24) 0.076 -244.40
 
3 [ -241.24, -237.96) 0.188 -241.20
 
4 [ -237.96, -234.68) 0.233 -237.90
 
5 [ -234.68, -231.40) 0.194 -234.60
 
6 [ -231.40, -228.12) 0.148 -231.30
 
7 [ -228.12, -224.84) 0.077 -228.10
 
8 [ -224.84, -221.56) 0.034 -224.80
 
9 [ -221.56, -218.28) 0.017 -221.50
 
10 [ -218.28, -215.00] 0.006 -217.30
 

Cumulative free energy distribution for sampled structures

View


Text files
Full clustering output sclass.out
Base pair frequencies for two-dimensional histogram 2dhist.out
Free energies of sampled structures fe.out
Cumulative free energy distribution cdf.out
Free energy density distribution pdf.out


Output from other application modules
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Choose the compressed file format for all sampled structures
 


Job and system information
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System information View


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