26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1

1DVJ: Chain B Partitioned by 19 TLS Groups


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Analysis of TLS Group 19 Chain Segments (overall rmsd_b=1.34 and residual=0.06)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue14-18540 21.0 8.091.00 0.80 14.0 0.00, 13.43, 9.60 21.00.67
green19-3416125 21.3 5.031.00 1.35 14.5 0.00, 13.80, 8.03 21.30.76
magenta35-38440 34.8 4.681.00 1.29 30.316.44, 0.00, 6.34 34.80.88
red39-5315112 16.4 4.211.00 1.33 12.4 0.00, 3.78, 6.51 16.40.77
cyan54-641195 20.0 5.401.00 1.59 13.328.04, 0.00, 6.37 20.00.75
yellow65-751186 15.6 5.451.00 1.75 10.316.64, 0.00, 4.05 15.60.70
violet76-861187 16.7 6.931.00 1.84 12.334.43, 2.62, 0.00 16.70.63
purpleblue87-10620150 14.6 2.181.00 1.54 11.9 0.00, 1.64, 5.38 14.60.88
salmon107-11913100 19.3 6.571.00 1.81 12.428.59, 0.00, 5.14 19.30.69
lime120-1311290 17.8 3.231.00 1.31 15.917.19, 0.00, 0.00 17.80.83
slate132-136545 23.2 5.311.00 1.42 18.3 0.00, 10.13, 23.53 23.20.77
bluegreen137-1491390 23.8 4.761.00 1.48 19.928.98, 3.93, 0.00 23.80.80
hotpink150-1611289 21.1 5.281.00 1.76 14.818.46, 0.00, 4.12 21.10.75
orange162-168764 31.0 5.191.00 1.84 23.319.52, 0.41, 6.26 31.00.82
yellowgreen169-18214103 25.0 7.661.00 1.48 17.911.24, 3.21, 0.00 25.00.70
blueviolet183-189741 28.7 6.261.00 1.49 20.4 0.00, 10.46, 6.41 28.70.77
marine190-2021395 25.9 7.911.00 0.96-21.914.88, 0.00, 0.55 25.90.68
olive203-21715102 20.5 4.911.00 1.12 14.011.62, 4.99, 0.00 20.50.75
purple218-224756 42.9 6.861.00 1.43 40.1 0.00, 31.32, 0.00 42.90.82


Mean BFactor Analysis
1DVJ_CHAINB_NTLS19_BMEAN

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



RMSD B Values of Combined TLS Groups
14-1819-3435-3839-5354-6465-7576-8687-106107-119120-131132-136137-149150-161162-168169-182183-189190-202203-217218-224
14-18 0.77 1.71 2.12 1.53 1.96 1.93 2.46 1.49 3.15 1.25 1.61 1.96 1.73 2.26 1.31 1.43 1.65 1.45 2.48
19-34 1.71 1.30 2.12 1.82 2.54 2.00 2.72 2.04 2.66 1.97 1.94 2.29 2.30 2.22 2.08 1.71 1.82 1.77 2.03
35-38 2.12 2.12 1.26 2.05 3.75 1.87 3.40 2.23 3.02 1.43 1.73 2.35 1.83 2.28 1.69 1.72 1.70 2.04 2.05
39-53 1.53 1.82 2.05 1.33 2.27 2.00 2.78 1.58 2.93 1.59 1.93 2.04 1.91 1.88 1.75 1.63 1.70 1.52 2.01
54-64 1.96 2.54 3.75 2.27 1.58 2.34 2.90 2.83 3.58 3.13 2.30 3.36 3.17 2.64 3.10 2.44 2.76 2.40 2.66
65-75 1.93 2.00 1.87 2.00 2.34 1.53 2.43 1.77 2.40 2.11 2.04 2.86 2.27 2.66 2.39 1.93 2.04 1.73 2.28
76-86 2.46 2.72 3.40 2.78 2.90 2.43 1.45 2.48 2.73 2.91 2.90 3.00 2.88 3.20 2.62 3.06 2.39 2.78 3.08
87-106 1.49 2.04 2.23 1.58 2.83 1.77 2.48 1.24 2.56 1.54 1.64 2.32 1.93 2.35 1.86 1.64 1.69 1.50 2.02
107-119 3.15 2.66 3.02 2.93 3.58 2.40 2.73 2.56 1.80 2.62 2.47 3.11 3.22 3.41 3.24 3.23 3.21 2.86 3.55
120-131 1.25 1.97 1.43 1.59 3.13 2.11 2.91 1.54 2.62 1.01 1.88 2.17 2.48 2.15 2.11 1.73 1.80 1.56 2.14
132-136 1.61 1.94 1.73 1.93 2.30 2.04 2.90 1.64 2.47 1.88 1.40 1.84 2.48 2.65 1.85 2.01 1.75 1.62 2.34
137-149 1.96 2.29 2.35 2.04 3.36 2.86 3.00 2.32 3.11 2.17 1.84 1.05 2.24 2.42 2.04 2.45 2.25 2.24 2.93
150-161 1.73 2.30 1.83 1.91 3.17 2.27 2.88 1.93 3.22 2.48 2.48 2.24 1.55 2.72 1.99 1.87 2.11 1.84 2.62
162-168 2.26 2.22 2.28 1.88 2.64 2.66 3.20 2.35 3.41 2.15 2.65 2.42 2.72 1.84 2.40 2.39 1.89 2.17 3.25
169-182 1.31 2.08 1.69 1.75 3.10 2.39 2.62 1.86 3.24 2.11 1.85 2.04 1.99 2.40 1.32 1.80 1.92 1.53 2.33
183-189 1.43 1.71 1.72 1.63 2.44 1.93 3.06 1.64 3.23 1.73 2.01 2.45 1.87 2.39 1.80 1.26 1.88 1.51 1.98
190-202 1.65 1.82 1.70 1.70 2.76 2.04 2.39 1.69 3.21 1.80 1.75 2.25 2.11 1.89 1.92 1.88 0.96 1.57 2.65
203-217 1.45 1.77 2.04 1.52 2.40 1.73 2.78 1.50 2.86 1.56 1.62 2.24 1.84 2.17 1.53 1.51 1.57 1.12 2.12
218-224 2.48 2.03 2.05 2.01 2.66 2.28 3.08 2.02 3.55 2.14 2.34 2.93 2.62 3.25 2.33 1.98 2.65 2.12 1.37

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_CHAINB_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_CHAINB_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_CHAINB_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_CHAINB_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 14-18
1DVJ_CHAINB_TLSB14_18_BoBc

Distribution Histogram of TLS Group 19-34
1DVJ_CHAINB_TLSB19_34_BoBc

Distribution Histogram of TLS Group 35-38
1DVJ_CHAINB_TLSB35_38_BoBc

Distribution Histogram of TLS Group 39-53
1DVJ_CHAINB_TLSB39_53_BoBc

Distribution Histogram of TLS Group 54-64
1DVJ_CHAINB_TLSB54_64_BoBc

Distribution Histogram of TLS Group 65-75
1DVJ_CHAINB_TLSB65_75_BoBc

Distribution Histogram of TLS Group 76-86
1DVJ_CHAINB_TLSB76_86_BoBc

Distribution Histogram of TLS Group 87-106
1DVJ_CHAINB_TLSB87_106_BoBc

Distribution Histogram of TLS Group 107-119
1DVJ_CHAINB_TLSB107_119_BoBc

Distribution Histogram of TLS Group 120-131
1DVJ_CHAINB_TLSB120_131_BoBc

Distribution Histogram of TLS Group 132-136
1DVJ_CHAINB_TLSB132_136_BoBc

Distribution Histogram of TLS Group 137-149
1DVJ_CHAINB_TLSB137_149_BoBc

Distribution Histogram of TLS Group 150-161
1DVJ_CHAINB_TLSB150_161_BoBc

Distribution Histogram of TLS Group 162-168
1DVJ_CHAINB_TLSB162_168_BoBc

Distribution Histogram of TLS Group 169-182
1DVJ_CHAINB_TLSB169_182_BoBc

Distribution Histogram of TLS Group 183-189
1DVJ_CHAINB_TLSB183_189_BoBc

Distribution Histogram of TLS Group 190-202
1DVJ_CHAINB_TLSB190_202_BoBc

Distribution Histogram of TLS Group 203-217
1DVJ_CHAINB_TLSB203_217_BoBc

Distribution Histogram of TLS Group 218-224
1DVJ_CHAINB_TLSB218_224_BoBc
26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1 Released 11 February 2010