26 Mar 2010JobID: TLSMD7773_LsBYSdhsTLSMD Version 1.4.1

1IOM: Chain A Partitioned by 19 TLS Groups


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Analysis of TLS Group 19 Chain Segments (overall rmsd_b=1.44 and residual=0.12)
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
green16-261188 15.4 5.811.00 1.97 8.527.16, 3.90, 0.00 15.40.66
magenta27-5428247 10.0 3.641.00 1.62 6.1 7.44, 3.46, 0.00 10.00.68
red55-6814113 15.2 6.711.00 1.89 7.820.47, 4.20, 0.00 15.20.59
cyan69-791189 10.7 4.931.00 1.98 7.716.43, 0.00, 0.00 10.70.67
yellow80-13859471 8.8 2.351.00 1.42 6.0 0.00, 1.81, 1.66 8.80.78
violet139-143540 15.9 4.771.00 1.71 9.833.20, 0.00, 7.25 15.90.73
purpleblue144-16421173 12.2 3.541.00 1.22 7.5 8.89, 0.00, 2.07 12.20.71
salmon165-18723178 11.2 3.581.00 1.33 6.810.88, 0.00, 2.22 11.20.72
lime188-21932230 8.3 2.331.00 1.28 5.0 3.09, 1.01, 0.00 8.30.77
slate220-23920140 21.5 5.941.00 1.52 10.419.56, 2.40, 0.00 21.50.71
bluegreen240-25112101 31.7 4.141.00 1.47 8.221.78, 0.97, 0.00 31.70.85
hotpink252-26413113 17.6 5.501.00 2.06 11.3 0.00, 5.32, 19.21 17.60.71
orange265-28824186 17.4 5.791.00 2.17 11.1 9.76, 0.00, 3.25 17.40.70
yellowgreen289-31628222 16.3 4.771.00 2.02 9.9 6.55, 1.73, 0.00 16.30.72
blueviolet317-34933268 9.2 2.791.00 1.26 5.8 5.47, 1.49, 0.00 9.20.74
marine350-356760 12.9 3.801.00 1.85 7.820.78, 5.57, 0.00 12.90.76
olive357-364859 15.9 6.961.00 1.37 10.518.89, 1.25, 0.00 15.90.66
purple365-37612107 16.7 5.761.00 1.77 6.8 0.00, 8.42, 12.09 16.70.68


Mean BFactor Analysis
1IOM_CHAINA_NTLS19_BMEAN

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



RMSD B Values of Combined TLS Groups
3-1516-2627-5455-6869-7980-138139-143144-164165-187188-219220-239240-251252-264265-288289-316317-349350-356357-364365-376
3-15 0.82 2.24 1.97 2.46 2.06 1.51 2.07 1.49 2.06 1.44 2.08 2.12 3.49 2.32 2.16 1.36 1.93 1.54 2.46
16-26 2.24 1.95 2.08 2.62 2.57 2.07 2.80 2.13 1.98 2.18 2.24 2.70 2.44 2.52 2.25 2.08 2.38 2.54 2.69
27-54 1.97 2.08 1.58 2.05 2.26 1.96 2.27 1.75 1.85 2.10 1.97 2.02 2.21 2.03 2.03 1.89 2.46 2.51 2.60
55-68 2.46 2.62 2.05 1.37 2.83 2.27 2.47 2.23 2.44 2.69 2.57 2.74 2.45 2.60 2.42 2.35 3.04 3.26 2.82
69-79 2.06 2.57 2.26 2.83 1.33 1.90 2.78 1.72 1.89 1.90 2.59 2.73 2.97 2.62 2.33 1.84 2.35 2.48 2.61
80-138 1.51 2.07 1.96 2.27 1.90 1.40 1.82 1.59 1.55 1.48 2.14 1.81 2.22 2.10 1.89 1.51 1.76 2.39 1.98
139-143 2.07 2.80 2.27 2.47 2.78 1.82 1.30 2.03 2.09 2.03 2.72 2.89 2.68 2.89 2.04 1.88 2.44 2.21 2.36
144-164 1.49 2.13 1.75 2.23 1.72 1.59 2.03 1.22 1.68 1.69 2.06 2.15 2.24 2.29 2.05 1.65 1.94 1.69 1.87
165-187 2.06 1.98 1.85 2.44 1.89 1.55 2.09 1.68 1.30 1.83 1.96 1.90 2.54 2.15 2.22 1.61 1.98 2.15 2.48
188-219 1.44 2.18 2.10 2.69 1.90 1.48 2.03 1.69 1.83 1.28 2.38 1.93 2.90 2.41 2.02 1.53 1.82 2.41 1.93
220-239 2.08 2.24 1.97 2.57 2.59 2.14 2.72 2.06 1.96 2.38 1.50 2.17 2.18 2.24 2.03 2.03 2.32 2.71 2.89
240-251 2.12 2.70 2.02 2.74 2.73 1.81 2.89 2.15 1.90 1.93 2.17 1.35 2.45 2.08 2.53 1.75 2.64 2.70 2.67
252-264 3.49 2.44 2.21 2.45 2.97 2.22 2.68 2.24 2.54 2.90 2.18 2.45 2.00 2.28 2.08 2.27 3.17 4.03 4.07
265-288 2.32 2.52 2.03 2.60 2.62 2.10 2.89 2.29 2.15 2.41 2.24 2.08 2.28 1.75 2.45 2.09 2.67 2.74 2.85
289-316 2.16 2.25 2.03 2.42 2.33 1.89 2.04 2.05 2.22 2.02 2.03 2.53 2.08 2.45 1.26 1.73 2.06 2.21 2.66
317-349 1.36 2.08 1.89 2.35 1.84 1.51 1.88 1.65 1.61 1.53 2.03 1.75 2.27 2.09 1.73 1.26 1.71 2.68 1.95
350-356 1.93 2.38 2.46 3.04 2.35 1.76 2.44 1.94 1.98 1.82 2.32 2.64 3.17 2.67 2.06 1.71 1.85 3.23 3.22
357-364 1.54 2.54 2.51 3.26 2.48 2.39 2.21 1.69 2.15 2.41 2.71 2.70 4.03 2.74 2.21 2.68 3.23 1.19 2.09
365-376 2.46 2.69 2.60 2.82 2.61 1.98 2.36 1.87 2.48 1.93 2.89 2.67 4.07 2.85 2.66 1.95 3.22 2.09 1.69

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_NTLS19_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_NTLS19_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_NTLS19_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_NTLS19_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 16-26
1IOM_CHAINA_TLSA16_26_BoBc

Distribution Histogram of TLS Group 27-54
1IOM_CHAINA_TLSA27_54_BoBc

Distribution Histogram of TLS Group 55-68
1IOM_CHAINA_TLSA55_68_BoBc

Distribution Histogram of TLS Group 69-79
1IOM_CHAINA_TLSA69_79_BoBc

Distribution Histogram of TLS Group 80-138
1IOM_CHAINA_TLSA80_138_BoBc

Distribution Histogram of TLS Group 139-143
1IOM_CHAINA_TLSA139_143_BoBc

Distribution Histogram of TLS Group 144-164
1IOM_CHAINA_TLSA144_164_BoBc

Distribution Histogram of TLS Group 165-187
1IOM_CHAINA_TLSA165_187_BoBc

Distribution Histogram of TLS Group 188-219
1IOM_CHAINA_TLSA188_219_BoBc

Distribution Histogram of TLS Group 220-239
1IOM_CHAINA_TLSA220_239_BoBc

Distribution Histogram of TLS Group 240-251
1IOM_CHAINA_TLSA240_251_BoBc

Distribution Histogram of TLS Group 252-264
1IOM_CHAINA_TLSA252_264_BoBc

Distribution Histogram of TLS Group 265-288
1IOM_CHAINA_TLSA265_288_BoBc

Distribution Histogram of TLS Group 289-316
1IOM_CHAINA_TLSA289_316_BoBc

Distribution Histogram of TLS Group 317-349
1IOM_CHAINA_TLSA317_349_BoBc

Distribution Histogram of TLS Group 350-356
1IOM_CHAINA_TLSA350_356_BoBc

Distribution Histogram of TLS Group 357-364
1IOM_CHAINA_TLSA357_364_BoBc

Distribution Histogram of TLS Group 365-376
1IOM_CHAINA_TLSA365_376_BoBc
26 Mar 2010JobID: TLSMD7773_LsBYSdhsTLSMD Version 1.4.1 Released 11 February 2010