30 Mar 2010JobID: TLSMD7780_IMKsrOzPTLSMD Version 1.4.1

1DV2: Chain A Partitioned by 13 TLS Groups


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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=21.48 and residual=33.31)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue1-1720153 31.231.841.0018.49 11.5 0.00, 9.07, 18.59 31.20.39
green18-4225191 25.325.121.0019.35 6.133.34, 0.00, 14.18 25.30.48
magenta43-8644312 22.819.841.0018.38 5.214.07, 0.92, 6.97 22.80.69
red87-11933261 34.029.221.0022.67 19.559.92, 0.00, 0.00 34.00.53
cyan120-13819124 33.525.451.0022.00 28.7 0.00, 28.42, 0.00 33.50.63
yellow139-17436259 55.432.011.0024.61 21.4 0.00, 41.26, 23.90 55.40.64
violet175-19319139 58.531.591.0026.82 37.0136.32, 6.32, 0.00 58.50.75
purpleblue194-20815130 42.728.091.0022.55 11.932.36, 4.51, 0.00 42.70.64
salmon209-24739301 31.125.981.0018.54 10.835.45, 0.00, 4.49 31.10.50
lime248-28639320 34.227.261.0021.38 13.831.64, 9.33, 0.00 34.20.58
slate287-33044348 27.626.091.0021.88 6.118.77, 0.00, 7.63 27.60.56
bluegreen331-42393735 29.325.561.0022.11 10.618.60, 6.25, 0.00 29.30.62
hotpink424-44724196 48.433.431.0025.32 20.4 0.00, 24.14, 34.17 48.40.58


Mean BFactor Analysis
1DV2_CHAINA_NTLS13_BMEAN

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



RMSD B Values of Combined TLS Groups
1-1718-4243-8687-119120-138139-174175-193194-208209-247248-286287-330331-423424-447
1-17 18.22 19.76 18.99 22.47 21.31 25.13 25.67 21.38 19.72 21.72 20.76 22.37 23.38
18-42 19.76 17.98 19.60 23.85 21.21 27.05 26.64 22.35 21.03 22.46 22.36 22.96 23.79
43-86 18.99 19.60 18.38 21.73 20.51 25.02 23.69 20.76 20.04 21.37 20.95 21.91 22.81
87-119 22.47 23.85 21.73 22.29 24.07 25.28 25.51 24.03 22.50 23.97 23.55 23.76 25.03
120-138 21.31 21.21 20.51 24.07 20.41 25.53 26.94 22.37 21.00 21.82 23.55 23.01 25.89
139-174 25.13 27.05 25.02 25.28 25.53 24.42 27.50 25.11 23.20 24.24 25.25 24.69 26.51
175-193 25.67 26.64 23.69 25.51 26.94 27.50 26.79 26.83 24.34 25.21 25.98 24.02 28.95
194-208 21.38 22.35 20.76 24.03 22.37 25.11 26.83 21.69 20.97 22.11 23.32 22.77 25.58
209-247 19.72 21.03 20.04 22.50 21.00 23.20 24.34 20.97 18.54 20.87 21.19 22.40 21.80
248-286 21.72 22.46 21.37 23.97 21.82 24.24 25.21 22.11 20.87 21.02 22.33 23.04 24.29
287-330 20.76 22.36 20.95 23.55 23.55 25.25 25.98 23.32 21.19 22.33 21.61 22.88 24.34
331-423 22.37 22.96 21.91 23.76 23.01 24.69 24.02 22.77 22.40 23.04 22.88 22.06 23.61
424-447 23.38 23.79 22.81 25.03 25.89 26.51 28.95 25.58 21.80 24.29 24.34 23.61 25.13

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
1DV2_CHAINA_NTLS13_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
1DV2_CHAINA_NTLS13_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
1DV2_CHAINA_NTLS13_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
1DV2_CHAINA_NTLS13_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 1-17
1DV2_CHAINA_TLSA1_17_BoBc

Distribution Histogram of TLS Group 18-42
1DV2_CHAINA_TLSA18_42_BoBc

Distribution Histogram of TLS Group 43-86
1DV2_CHAINA_TLSA43_86_BoBc

Distribution Histogram of TLS Group 87-119
1DV2_CHAINA_TLSA87_119_BoBc

Distribution Histogram of TLS Group 120-138
1DV2_CHAINA_TLSA120_138_BoBc

Distribution Histogram of TLS Group 139-174
1DV2_CHAINA_TLSA139_174_BoBc

Distribution Histogram of TLS Group 175-193
1DV2_CHAINA_TLSA175_193_BoBc

Distribution Histogram of TLS Group 194-208
1DV2_CHAINA_TLSA194_208_BoBc

Distribution Histogram of TLS Group 209-247
1DV2_CHAINA_TLSA209_247_BoBc

Distribution Histogram of TLS Group 248-286
1DV2_CHAINA_TLSA248_286_BoBc

Distribution Histogram of TLS Group 287-330
1DV2_CHAINA_TLSA287_330_BoBc

Distribution Histogram of TLS Group 331-423
1DV2_CHAINA_TLSA331_423_BoBc

Distribution Histogram of TLS Group 424-447
1DV2_CHAINA_TLSA424_447_BoBc
30 Mar 2010JobID: TLSMD7780_IMKsrOzPTLSMD Version 1.4.1 Released 11 February 2010