26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1

1DVJ: Chain B Partitioned by 17 TLS Groups


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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=1.45 and residual=0.07)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue14-3421165 21.2 5.921.00 1.71 13.0 0.00, 8.68, 7.46 21.20.72
green35-38440 34.8 4.681.00 1.29 30.316.44, 0.00, 6.34 34.80.88
magenta39-5315112 16.4 4.211.00 1.33 12.4 0.00, 3.78, 6.51 16.40.77
red54-641195 20.0 5.401.00 1.59 13.328.04, 0.00, 6.37 20.00.75
cyan65-751186 15.6 5.451.00 1.75 10.316.64, 0.00, 4.05 15.60.70
yellow76-861187 16.7 6.931.00 1.84 12.334.43, 2.62, 0.00 16.70.63
violet87-10620150 14.6 2.181.00 1.54 11.9 0.00, 1.64, 5.38 14.60.88
purpleblue107-11913100 19.3 6.571.00 1.81 12.428.59, 0.00, 5.14 19.30.69
salmon120-1311290 17.8 3.231.00 1.31 15.917.19, 0.00, 0.00 17.80.83
lime132-136545 23.2 5.311.00 1.42 18.3 0.00, 10.13, 23.53 23.20.77
slate137-1491390 23.8 4.761.00 1.48 19.928.98, 3.93, 0.00 23.80.80
bluegreen150-1611289 21.1 5.281.00 1.76 14.818.46, 0.00, 4.12 21.10.75
hotpink162-168764 31.0 5.191.00 1.84 23.319.52, 0.41, 6.26 31.00.82
orange169-18416112 24.8 7.401.00 1.47 18.510.54, 3.09, 0.00 24.80.70
yellowgreen185-193960 31.2 5.841.00 2.04 29.415.24, 0.00, 0.00 31.20.79
blueviolet194-21320150 20.9 6.051.00 1.24 14.8 0.00, 5.50, 3.14 20.90.72
marine214-2241175 39.1 9.031.00 1.74 -0.632.01, 2.97, 0.00 39.10.75


Mean BFactor Analysis
1DVJ_CHAINB_NTLS17_BMEAN

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



RMSD B Values of Combined TLS Groups
14-3435-3839-5354-6465-7576-8687-106107-119120-131132-136137-149150-161162-168169-184185-193194-213214-224
14-34 1.71 2.58 1.86 2.70 2.27 2.69 2.07 2.90 1.97 2.00 2.29 2.25 2.56 2.08 2.47 2.20 2.57
35-38 2.58 1.26 2.05 3.75 1.87 3.40 2.23 3.02 1.43 1.73 2.35 1.83 2.28 1.67 1.72 2.10 2.23
39-53 1.86 2.05 1.33 2.27 2.00 2.78 1.58 2.93 1.59 1.93 2.04 1.91 1.88 1.73 1.86 1.50 2.29
54-64 2.70 3.75 2.27 1.58 2.34 2.90 2.83 3.58 3.13 2.30 3.36 3.17 2.64 3.08 3.04 2.81 3.17
65-75 2.27 1.87 2.00 2.34 1.53 2.43 1.77 2.40 2.11 2.04 2.86 2.27 2.66 2.36 2.85 2.14 2.58
76-86 2.69 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 3.14 2.66 3.16
87-106 2.07 2.23 1.58 2.83 1.77 2.48 1.24 2.56 1.54 1.64 2.32 1.93 2.35 1.85 1.98 1.57 2.17
107-119 2.90 3.02 2.93 3.58 2.40 2.73 2.56 1.80 2.62 2.47 3.11 3.22 3.41 3.21 3.58 3.00 3.69
120-131 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 2.12 1.66 1.63 2.37
132-136 2.00 1.73 1.93 2.30 2.04 2.90 1.64 2.47 1.88 1.40 1.84 2.48 2.65 1.87 2.46 1.79 2.47
137-149 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 2.02 2.14 2.15 3.16
150-161 2.25 1.83 1.91 3.17 2.27 2.88 1.93 3.22 2.48 2.48 2.24 1.55 2.72 1.97 2.70 1.77 2.75
162-168 2.56 2.28 1.88 2.64 2.66 3.20 2.35 3.41 2.15 2.65 2.42 2.72 1.84 2.34 2.27 1.85 3.40
169-184 2.08 1.67 1.73 3.08 2.36 2.62 1.85 3.21 2.12 1.87 2.02 1.97 2.34 1.36 2.48 1.67 2.50
185-193 2.47 1.72 1.86 3.04 2.85 3.14 1.98 3.58 1.66 2.46 2.14 2.70 2.27 2.48 1.43 2.23 2.82
194-213 2.20 2.10 1.50 2.81 2.14 2.66 1.57 3.00 1.63 1.79 2.15 1.77 1.85 1.67 2.23 1.21 2.68
214-224 2.57 2.23 2.29 3.17 2.58 3.16 2.17 3.69 2.37 2.47 3.16 2.75 3.40 2.50 2.82 2.68 1.71

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_NTLS17_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_NTLS17_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_NTLS17_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_NTLS17_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 14-34
1DVJ_CHAINB_TLSB14_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 169-184
1DVJ_CHAINB_TLSB169_184_BoBc

Distribution Histogram of TLS Group 185-193
1DVJ_CHAINB_TLSB185_193_BoBc

Distribution Histogram of TLS Group 194-213
1DVJ_CHAINB_TLSB194_213_BoBc

Distribution Histogram of TLS Group 214-224
1DVJ_CHAINB_TLSB214_224_BoBc
26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1 Released 11 February 2010