26 Mar 2010JobID: TLSMD7779_PGZeKVnRTLSMD Version 1.4.1

1VJU: Chain B Partitioned by 15 TLS Groups


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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=2.82 and residual=0.38)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue6-2621162 19.1 6.541.00 2.87 6.134.15, 0.00, 1.36 19.10.70
green27-4923177 20.7 6.681.00 3.61 9.819.96, 5.36, 0.00 20.70.75
magenta50-6920132 16.1 4.461.00 2.71 12.016.02, 0.00, 1.52 16.10.79
red70-791079 20.912.391.00 4.46 6.245.15, 0.00, 5.22 20.90.51
cyan89-11628205 16.0 9.481.00 3.10 7.921.93, 0.00, 1.29 16.00.58
yellow117-13721170 21.311.191.00 3.95 5.825.32, 4.36, 0.00 21.30.56
violet138-16629242 14.4 5.391.00 2.34 9.912.56, 0.00, 1.23 14.40.67
purpleblue167-19731267 14.3 4.661.00 3.04 10.010.17, 0.00, 1.23 14.30.76
salmon198-23437309 16.0 4.951.00 2.91 9.616.58, 0.00, 0.98 16.00.79
lime235-240650 19.110.221.00 3.13 8.173.17, 0.00, 14.33 19.10.57
slate241-25212114 11.4 2.501.00 1.76 9.010.56, 0.00, 1.89 11.40.84
bluegreen253-2641288 20.9 9.501.00 4.46 12.832.65, 7.62, 0.00 20.90.65
hotpink265-28622170 16.3 7.121.00 3.55 7.514.49, 0.00, 3.42 16.30.66
orange287-292650 21.8 9.851.00 3.06 15.1110.99, 0.00, 0.00 21.80.61
yellowgreen293-30917152 17.0 6.731.00 2.88 10.117.25, 0.00, 4.21 17.00.68


Mean BFactor Analysis
1VJU_CHAINB_NTLS15_BMEAN

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



RMSD B Values of Combined TLS Groups
6-2627-4950-6970-7989-116117-137138-166167-197198-234235-240241-252253-264265-286287-292293-309
6-26 2.81 3.80 3.44 4.57 3.86 4.86 3.34 3.84 3.71 4.49 3.22 5.15 4.52 5.21 3.74
27-49 3.80 2.89 3.78 4.26 4.47 3.84 3.80 4.12 3.78 4.70 3.84 5.22 4.50 5.18 4.01
50-69 3.44 3.78 2.63 4.43 3.45 4.39 3.27 3.41 3.31 3.87 2.55 4.47 3.47 4.97 3.32
70-79 4.57 4.26 4.43 3.66 5.29 4.76 4.27 4.48 4.21 5.63 4.93 5.97 4.94 6.82 4.61
89-116 3.86 4.47 3.45 5.29 2.97 4.48 3.81 4.39 4.07 3.97 3.07 5.14 4.65 4.62 3.87
117-137 4.86 3.84 4.39 4.76 4.48 3.61 4.21 3.91 4.34 5.73 4.37 6.12 5.13 5.67 4.43
138-166 3.34 3.80 3.27 4.27 3.81 4.21 2.26 3.00 3.57 3.92 2.46 4.41 3.96 4.13 3.39
167-197 3.84 4.12 3.41 4.48 4.39 3.91 3.00 2.77 3.90 4.30 2.99 4.39 3.79 4.45 3.53
198-234 3.71 3.78 3.31 4.21 4.07 4.34 3.57 3.90 2.89 4.21 3.36 5.19 4.81 4.67 3.55
235-240 4.49 4.70 3.87 5.63 3.97 5.73 3.92 4.30 4.21 3.13 3.86 5.83 3.79 4.76 4.37
241-252 3.22 3.84 2.55 4.93 3.07 4.37 2.46 2.99 3.36 3.86 1.45 4.44 3.33 4.06 3.08
253-264 5.15 5.22 4.47 5.97 5.14 6.12 4.41 4.39 5.19 5.83 4.44 3.09 4.66 5.47 4.57
265-286 4.52 4.50 3.47 4.94 4.65 5.13 3.96 3.79 4.81 3.79 3.33 4.66 2.56 4.46 3.62
287-292 5.21 5.18 4.97 6.82 4.62 5.67 4.13 4.45 4.67 4.76 4.06 5.47 4.46 1.94 4.58
293-309 3.74 4.01 3.32 4.61 3.87 4.43 3.39 3.53 3.55 4.37 3.08 4.57 3.62 4.58 2.84

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
1VJU_CHAINB_NTLS15_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
1VJU_CHAINB_NTLS15_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
1VJU_CHAINB_NTLS15_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
1VJU_CHAINB_NTLS15_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 6-26
1VJU_CHAINB_TLSB6_26_BoBc

Distribution Histogram of TLS Group 27-49
1VJU_CHAINB_TLSB27_49_BoBc

Distribution Histogram of TLS Group 50-69
1VJU_CHAINB_TLSB50_69_BoBc

Distribution Histogram of TLS Group 70-79
1VJU_CHAINB_TLSB70_79_BoBc

Distribution Histogram of TLS Group 89-116
1VJU_CHAINB_TLSB89_116_BoBc

Distribution Histogram of TLS Group 117-137
1VJU_CHAINB_TLSB117_137_BoBc

Distribution Histogram of TLS Group 138-166
1VJU_CHAINB_TLSB138_166_BoBc

Distribution Histogram of TLS Group 167-197
1VJU_CHAINB_TLSB167_197_BoBc

Distribution Histogram of TLS Group 198-234
1VJU_CHAINB_TLSB198_234_BoBc

Distribution Histogram of TLS Group 235-240
1VJU_CHAINB_TLSB235_240_BoBc

Distribution Histogram of TLS Group 241-252
1VJU_CHAINB_TLSB241_252_BoBc

Distribution Histogram of TLS Group 253-264
1VJU_CHAINB_TLSB253_264_BoBc

Distribution Histogram of TLS Group 265-286
1VJU_CHAINB_TLSB265_286_BoBc

Distribution Histogram of TLS Group 287-292
1VJU_CHAINB_TLSB287_292_BoBc

Distribution Histogram of TLS Group 293-309
1VJU_CHAINB_TLSB293_309_BoBc
26 Mar 2010JobID: TLSMD7779_PGZeKVnRTLSMD Version 1.4.1 Released 11 February 2010