26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1

1DVJ: Chain D Partitioned by 19 TLS Groups


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Analysis of TLS Group 19 Chain Segments (overall rmsd_b=1.36 and residual=0.06)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue9-15758 23.1 5.321.00 1.72 16.923.98, 0.00, 10.60 23.10.77
green16-3318139 21.5 5.781.00 1.53 13.2 0.00, 8.48, 6.75 21.50.72
magenta34-38547 27.7 4.411.00 1.56 23.128.97, 7.84, 0.00 27.70.85
red39-5921161 17.8 3.761.00 1.46 13.7 0.00, 5.91, 3.62 17.80.78
cyan60-64546 29.7 6.081.00 1.52 23.8 0.00, 8.11, 15.93 29.70.78
yellow65-7713101 14.7 3.051.00 1.31 10.6 0.00, 3.22, 5.08 14.70.81
violet78-9114108 16.1 5.751.00 1.81 11.230.56, 0.00, 2.90 16.10.69
purpleblue92-10615114 14.2 1.821.00 1.34 12.8 2.54, 0.00, 0.00 14.20.89
salmon107-113750 17.5 7.071.00 2.30 12.247.62, 0.00, 7.51 17.50.65
lime114-119658 18.4 7.251.00 2.45 8.6 0.00, 24.62, 16.34 18.40.66
slate120-1301185 15.8 2.161.00 1.27 14.314.83, 0.00, 0.00 15.80.88
bluegreen131-137754 19.9 4.131.00 1.12 15.4 0.00, 13.84, 19.46 19.90.81
hotpink138-1491286 20.8 5.071.00 1.46 16.829.10, 4.92, 0.00 20.80.77
orange150-154540 17.8 5.351.00 1.47 13.636.44, 0.00, 8.32 17.80.73
yellowgreen155-1661294 19.3 4.601.00 1.66 12.910.21, 2.66, 0.00 19.30.78
blueviolet167-174865 24.7 6.291.00 1.82 18.630.40, 13.30, 0.00 24.70.76
marine175-19521148 20.0 4.121.00 1.10 13.1 0.00, 5.45, 7.11 20.00.77
olive196-21621143 19.4 4.231.00 1.22 13.1 4.72, 2.58, 0.00 19.40.75
purple217-222643 37.0 6.861.00 2.07 14.143.77, 6.96, 0.00 37.00.80


Mean BFactor Analysis
1DVJ_CHAIND_NTLS19_BMEAN

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



RMSD B Values of Combined TLS Groups
9-1516-3334-3839-5960-6465-7778-9192-106107-113114-119120-130131-137138-149150-154155-166167-174175-195196-216217-222
9-15 1.69 2.01 2.65 2.03 2.04 2.46 2.99 2.59 3.07 4.44 2.51 2.32 2.75 2.49 2.60 2.12 2.35 1.90 4.10
16-33 2.01 1.43 2.06 1.88 2.31 1.98 2.62 1.93 2.74 3.25 1.93 1.64 2.27 1.90 2.07 2.31 1.86 1.83 2.57
34-38 2.65 2.06 1.20 2.17 2.60 2.21 3.28 2.13 3.63 4.05 2.24 2.24 2.82 2.63 2.46 2.53 2.02 1.90 2.10
39-59 2.03 1.88 2.17 1.46 2.25 1.68 2.55 1.62 2.79 3.06 1.65 1.90 2.15 2.14 1.66 2.51 1.54 1.52 2.36
60-64 2.04 2.31 2.60 2.25 1.48 2.03 3.24 2.36 3.90 4.54 2.20 1.94 2.83 1.95 2.24 2.66 1.84 1.95 2.48
65-77 2.46 1.98 2.21 1.68 2.03 1.30 2.21 1.53 2.37 2.84 1.60 1.91 2.34 1.86 1.77 2.40 1.57 1.68 2.47
78-91 2.99 2.62 3.28 2.55 3.24 2.21 1.51 2.38 2.89 2.84 2.83 2.61 2.75 2.45 2.75 2.71 2.45 2.48 3.17
92-106 2.59 1.93 2.13 1.62 2.36 1.53 2.38 1.30 2.55 2.51 1.47 1.89 2.24 1.92 1.88 2.64 1.54 1.40 2.46
107-113 3.07 2.74 3.63 2.79 3.90 2.37 2.89 2.55 1.47 2.68 2.47 2.64 3.53 3.23 2.64 3.31 2.31 2.66 3.58
114-119 4.44 3.25 4.05 3.06 4.54 2.84 2.84 2.51 2.68 2.21 2.85 2.87 3.40 3.36 3.24 4.87 3.44 3.28 4.42
120-130 2.51 1.93 2.24 1.65 2.20 1.60 2.83 1.47 2.47 2.85 1.18 2.15 2.15 2.23 1.56 2.91 1.74 1.49 2.61
131-137 2.32 1.64 2.24 1.90 1.94 1.91 2.61 1.89 2.64 2.87 2.15 1.00 2.03 2.39 2.40 2.77 1.79 1.57 2.60
138-149 2.75 2.27 2.82 2.15 2.83 2.34 2.75 2.24 3.53 3.40 2.15 2.03 1.12 2.11 2.19 2.55 1.87 2.09 3.46
150-154 2.49 1.90 2.63 2.14 1.95 1.86 2.45 1.92 3.23 3.36 2.23 2.39 2.11 0.94 1.85 2.77 1.73 1.84 3.34
155-166 2.60 2.07 2.46 1.66 2.24 1.77 2.75 1.88 2.64 3.24 1.56 2.40 2.19 1.85 1.33 2.63 1.77 1.78 3.64
167-174 2.12 2.31 2.53 2.51 2.66 2.40 2.71 2.64 3.31 4.87 2.91 2.77 2.55 2.77 2.63 1.43 2.25 2.12 3.48
175-195 2.35 1.86 2.02 1.54 1.84 1.57 2.45 1.54 2.31 3.44 1.74 1.79 1.87 1.73 1.77 2.25 0.97 1.56 3.60
196-216 1.90 1.83 1.90 1.52 1.95 1.68 2.48 1.40 2.66 3.28 1.49 1.57 2.09 1.84 1.78 2.12 1.56 1.16 2.85
217-222 4.10 2.57 2.10 2.36 2.48 2.47 3.17 2.46 3.58 4.42 2.61 2.60 3.46 3.34 3.64 3.48 3.60 2.85 1.96

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
1DVJ_CHAIND_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
1DVJ_CHAIND_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
1DVJ_CHAIND_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
1DVJ_CHAIND_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 9-15
1DVJ_CHAIND_TLSD9_15_BoBc

Distribution Histogram of TLS Group 16-33
1DVJ_CHAIND_TLSD16_33_BoBc

Distribution Histogram of TLS Group 34-38
1DVJ_CHAIND_TLSD34_38_BoBc

Distribution Histogram of TLS Group 39-59
1DVJ_CHAIND_TLSD39_59_BoBc

Distribution Histogram of TLS Group 60-64
1DVJ_CHAIND_TLSD60_64_BoBc

Distribution Histogram of TLS Group 65-77
1DVJ_CHAIND_TLSD65_77_BoBc

Distribution Histogram of TLS Group 78-91
1DVJ_CHAIND_TLSD78_91_BoBc

Distribution Histogram of TLS Group 92-106
1DVJ_CHAIND_TLSD92_106_BoBc

Distribution Histogram of TLS Group 107-113
1DVJ_CHAIND_TLSD107_113_BoBc

Distribution Histogram of TLS Group 114-119
1DVJ_CHAIND_TLSD114_119_BoBc

Distribution Histogram of TLS Group 120-130
1DVJ_CHAIND_TLSD120_130_BoBc

Distribution Histogram of TLS Group 131-137
1DVJ_CHAIND_TLSD131_137_BoBc

Distribution Histogram of TLS Group 138-149
1DVJ_CHAIND_TLSD138_149_BoBc

Distribution Histogram of TLS Group 150-154
1DVJ_CHAIND_TLSD150_154_BoBc

Distribution Histogram of TLS Group 155-166
1DVJ_CHAIND_TLSD155_166_BoBc

Distribution Histogram of TLS Group 167-174
1DVJ_CHAIND_TLSD167_174_BoBc

Distribution Histogram of TLS Group 175-195
1DVJ_CHAIND_TLSD175_195_BoBc

Distribution Histogram of TLS Group 196-216
1DVJ_CHAIND_TLSD196_216_BoBc

Distribution Histogram of TLS Group 217-222
1DVJ_CHAIND_TLSD217_222_BoBc
26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1 Released 11 February 2010