26 Mar 2010JobID: TLSMD7777_CuLHRfzLTLSMD Version 1.4.1

2LBP: Chain A Partitioned by 15 TLS Groups


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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=1.92 and residual=0.20)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue1-1616106 8.1 5.151.00 2.04 5.4 3.35, 0.29, 0.00 8.10.50
green17-10993691 7.1 4.561.00 2.13 0.5 4.22, 0.00, 2.47 7.10.50
magenta110-13223172 7.6 3.011.00 2.10 6.4 0.00, 3.97, 0.00 7.60.71
red133-14614114 12.3 5.701.00 1.90 2.4 5.68, 1.86, 0.00 12.30.54
cyan147-155969 9.0 7.151.00 1.60 5.1 0.00, 26.25, 0.00 9.00.33
yellow156-17722161 12.1 4.431.00 2.08 6.4 7.58, 0.00, 0.00 12.10.70
violet178-183647 19.4 2.451.00 1.44 18.8 0.00, 8.10, 0.00 19.40.89
purpleblue184-24764482 8.6 5.611.00 2.07 1.2 0.10, 2.86, 2.10 8.60.44
salmon248-256979 8.7 4.491.00 2.05 5.822.48, 0.00, 0.00 8.70.59
lime257-27216117 13.3 5.581.00 2.34 0.215.98, 2.62, 0.00 13.30.63
slate273-28715117 4.1 2.601.00 1.35 0.2 6.91, 0.52, 0.00 4.10.51
bluegreen288-2981179 15.6 3.981.00 1.66 4.513.73, 3.09, 0.00 15.60.77
hotpink299-32830221 7.2 3.211.00 2.13 5.0 5.26, 0.24, 0.00 7.20.67
orange329-34012102 4.8 3.861.00 1.48 -0.112.49, 2.79, 0.00 4.80.39
yellowgreen341-346643 21.210.121.00 1.46 20.6 9.26, 0.00, 0.00 21.20.57


Mean BFactor Analysis
2LBP_CHAINA_NTLS15_BMEAN

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



RMSD B Values of Combined TLS Groups
1-1617-109110-132133-146147-155156-177178-183184-247248-256257-272273-287288-298299-328329-340341-346
1-16 1.96 2.55 2.36 2.47 3.35 2.50 2.13 2.26 2.53 2.74 2.00 2.30 2.27 2.31 2.40
17-109 2.55 2.11 2.72 3.12 3.32 3.06 2.67 3.23 2.60 2.79 2.14 2.50 2.48 2.67 2.57
110-132 2.36 2.72 1.84 2.63 3.04 2.47 2.14 2.60 2.35 2.73 1.75 2.54 2.44 2.32 3.80
133-146 2.47 3.12 2.63 1.53 3.23 2.56 2.38 2.21 2.09 2.98 2.03 2.61 2.57 2.15 2.83
147-155 3.35 3.32 3.04 3.23 1.48 2.87 2.45 2.60 2.21 2.62 1.90 2.21 2.47 1.85 2.59
156-177 2.50 3.06 2.47 2.56 2.87 1.95 2.60 2.31 2.72 2.56 2.17 2.27 2.40 2.21 2.30
178-183 2.13 2.67 2.14 2.38 2.45 2.60 0.76 2.44 2.78 2.69 1.77 2.06 2.13 2.08 1.46
184-247 2.26 3.23 2.60 2.21 2.60 2.31 2.44 2.07 2.80 2.76 2.38 2.39 2.82 2.15 2.75
248-256 2.53 2.60 2.35 2.09 2.21 2.72 2.78 2.80 1.21 2.78 1.76 3.45 2.66 3.49 3.34
257-272 2.74 2.79 2.73 2.98 2.62 2.56 2.69 2.76 2.78 2.23 2.53 3.29 2.59 2.83 2.84
273-287 2.00 2.14 1.75 2.03 1.90 2.17 1.77 2.38 1.76 2.53 1.30 2.62 2.13 2.13 2.82
288-298 2.30 2.50 2.54 2.61 2.21 2.27 2.06 2.39 3.45 3.29 2.62 1.57 2.81 2.39 2.66
299-328 2.27 2.48 2.44 2.57 2.47 2.40 2.13 2.82 2.66 2.59 2.13 2.81 2.02 2.38 2.80
329-340 2.31 2.67 2.32 2.15 1.85 2.21 2.08 2.15 3.49 2.83 2.13 2.39 2.38 1.46 3.29
341-346 2.40 2.57 3.80 2.83 2.59 2.30 1.46 2.75 3.34 2.84 2.82 2.66 2.80 3.29 1.08

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
2LBP_CHAINA_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
2LBP_CHAINA_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
2LBP_CHAINA_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
2LBP_CHAINA_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 1-16
2LBP_CHAINA_TLSA1_16_BoBc

Distribution Histogram of TLS Group 17-109
2LBP_CHAINA_TLSA17_109_BoBc

Distribution Histogram of TLS Group 110-132
2LBP_CHAINA_TLSA110_132_BoBc

Distribution Histogram of TLS Group 133-146
2LBP_CHAINA_TLSA133_146_BoBc

Distribution Histogram of TLS Group 147-155
2LBP_CHAINA_TLSA147_155_BoBc

Distribution Histogram of TLS Group 156-177
2LBP_CHAINA_TLSA156_177_BoBc

Distribution Histogram of TLS Group 178-183
2LBP_CHAINA_TLSA178_183_BoBc

Distribution Histogram of TLS Group 184-247
2LBP_CHAINA_TLSA184_247_BoBc

Distribution Histogram of TLS Group 248-256
2LBP_CHAINA_TLSA248_256_BoBc

Distribution Histogram of TLS Group 257-272
2LBP_CHAINA_TLSA257_272_BoBc

Distribution Histogram of TLS Group 273-287
2LBP_CHAINA_TLSA273_287_BoBc

Distribution Histogram of TLS Group 288-298
2LBP_CHAINA_TLSA288_298_BoBc

Distribution Histogram of TLS Group 299-328
2LBP_CHAINA_TLSA299_328_BoBc

Distribution Histogram of TLS Group 329-340
2LBP_CHAINA_TLSA329_340_BoBc

Distribution Histogram of TLS Group 341-346
2LBP_CHAINA_TLSA341_346_BoBc
26 Mar 2010JobID: TLSMD7777_CuLHRfzLTLSMD Version 1.4.1 Released 11 February 2010