26 Mar 2010JobID: TLSMD7773_LsBYSdhsTLSMD Version 1.4.1

1IOM: Chain A Partitioned by 9 TLS Groups


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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=1.92 and residual=0.22)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue3-151392 14.8 3.801.00 0.89 9.212.26, 2.67, 0.00 14.80.75
green16-5641350 11.4 4.821.00 2.06 4.8 8.27, 0.53, 3.71 11.40.65
magenta57-7014114 16.0 7.241.00 2.12 6.632.74, 0.00, 4.35 16.00.61
red71-2191491165 9.8 3.371.00 1.95 5.2 2.05, 0.14, 0.75 9.80.72
cyan220-23819135 21.3 6.001.00 1.49 10.220.73, 2.36, 0.00 21.30.71
yellow239-28850405 21.1 8.131.00 2.87 8.6 0.00, 4.52, 4.05 21.10.62
violet289-31628222 16.3 4.771.00 2.02 9.9 6.55, 1.73, 0.00 16.30.72
purpleblue317-35640328 9.9 3.321.00 1.72 5.2 5.89, 1.63, 0.00 9.90.71
salmon357-37620166 16.4 6.221.00 2.17 5.0 9.69, 0.00, 3.70 16.40.67


Mean BFactor Analysis
1IOM_CHAINA_NTLS9_BMEAN

Comparison of TLS predicted B factors with experimental (input) B factors.



RMSD B Values of Combined TLS Groups
3-1516-5657-7071-219220-238239-288289-316317-356357-376
3-15 0.82 2.51 2.63 2.01 2.08 3.52 2.16 1.77 2.96
16-56 2.51 2.07 2.69 2.34 2.28 2.52 2.50 2.65 3.10
57-70 2.63 2.69 2.11 2.38 3.13 3.05 3.00 2.78 3.81
71-219 2.01 2.34 2.38 1.96 2.23 2.61 2.17 2.00 2.89
220-238 2.08 2.28 3.13 2.23 1.47 2.63 2.03 2.28 2.90
239-288 3.52 2.52 3.05 2.61 2.63 2.35 2.86 2.94 4.28
289-316 2.16 2.50 3.00 2.17 2.03 2.86 1.26 2.03 2.66
317-356 1.77 2.65 2.78 2.00 2.28 2.94 2.03 1.71 3.58
357-376 2.96 3.10 3.81 2.89 2.90 4.28 2.66 3.58 2.09

The TLSMD optimization algorithm models TLS groups as sequential segments of a protein or DNA/RNA chain. This matrix shows the RMSD B values of the individual groups on the diagonal, and the RMSD B values of combined groups as off-diagonal elements. This helps identify non-contiguous protein segments which may be combined into a single TLS group.



Translation Analysis of Tr
1IOM_CHAINA_NTLS9_TRANSLATION

This graph shows the TLS group translational displacement magnitude of the three principal components of the reduced T tensor at a isoprobability magnitude of 85%. The line colors are the same as those used for the TLS groups in the various structure visualizations.



Screw Displacement Analysis
1IOM_CHAINA_NTLS9_LIBRATION

This graph shows the displacement of main chain atoms implied by the three screw axes of the TLS group to which they belong. The screw displacement axes are calculated in terms of a Gaussian variance-covariance tensor, and displacement magnitude is shown at a 85% isoprobability magnitude like the translational displacement. Protein segments undergoing hinge-like motion show up as peaks in this graph.



Deviation of Observed CA Atom B-Factors From TLS Model
1IOM_CHAINA_NTLS9_CADIFF

This graph assesses the quality of the TLS prediction for each residue by graphing the difference between the refined (input) main chain atom B factors and the corresponding B factors implied by the TLS model alone. If the TLS model were a perfect description of the observed thermal motion described by the input structural model, this plot would consist of a line at 0.



RMSD Deviation of Observed vs. TLS Predicted B Factors
1IOM_CHAINA_NTLS9_RMSD

This plot is similar to the plot above, except that instead of plotting (Bpred - Bobs) for the CA atom only, the colored line plots the RMSD of |Bpred-Bobs| for all atoms in the residue. If the TLSMD model were a perfect description of the input B values, then the colored line would be a horizontal line at 0.


Distribution Histogram of TLS Group 3-15
1IOM_CHAINA_TLSA3_15_BoBc

Distribution Histogram of TLS Group 16-56
1IOM_CHAINA_TLSA16_56_BoBc

Distribution Histogram of TLS Group 57-70
1IOM_CHAINA_TLSA57_70_BoBc

Distribution Histogram of TLS Group 71-219
1IOM_CHAINA_TLSA71_219_BoBc

Distribution Histogram of TLS Group 220-238
1IOM_CHAINA_TLSA220_238_BoBc

Distribution Histogram of TLS Group 239-288
1IOM_CHAINA_TLSA239_288_BoBc

Distribution Histogram of TLS Group 289-316
1IOM_CHAINA_TLSA289_316_BoBc

Distribution Histogram of TLS Group 317-356
1IOM_CHAINA_TLSA317_356_BoBc

Distribution Histogram of TLS Group 357-376
1IOM_CHAINA_TLSA357_376_BoBc
26 Mar 2010JobID: TLSMD7773_LsBYSdhsTLSMD Version 1.4.1 Released 11 February 2010