26 Mar 2010JobID: TLSMD7767_ubOwTrFFTLSMD Version 1.4.1

1DV7: Chain A Partitioned by 10 TLS Groups


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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=2.28 and residual=0.18)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-3736291 21.3 5.291.00 2.54 12.3 9.13, 1.32, 2.06 21.30.77
green38-6124189 14.9 3.811.00 2.42 11.2 7.29, 1.24, 0.00 14.90.79
magenta62-9938290 14.0 5.631.00 2.56 7.7 1.96, 0.00, 11.99 14.00.67
red100-11920148 14.9 5.481.00 2.54 8.326.12, 0.00, 2.75 14.90.71
cyan120-13819144 16.7 5.571.00 3.49 14.2 8.34, 0.00, 0.45 16.70.72
yellow139-15517128 15.3 6.291.00 3.01 7.6 0.00, 15.90, 10.44 15.30.66
violet156-1671295 30.910.241.00 3.79 29.0 7.99, 0.00, 0.00 30.90.68
purpleblue168-19620158 22.2 8.581.00 2.01 8.010.21, 6.70, 0.00 22.20.62
salmon197-2071185 22.7 6.741.00 1.65 13.834.21, 4.88, 0.00 22.70.72
lime208-2221596 34.4 5.961.00 1.69 27.519.38, 0.00, 8.00 34.40.82


Mean BFactor Analysis
1DV7_CHAINA_NTLS10_BMEAN

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



RMSD B Values of Combined TLS Groups
2-3738-6162-99100-119120-138139-155156-167168-196197-207208-222
2-37 2.54 3.13 3.39 3.56 3.71 3.66 4.33 3.24 2.76 2.98
38-61 3.13 2.34 2.97 3.63 3.17 3.59 4.25 2.83 2.99 2.93
62-99 3.39 2.97 2.46 3.59 3.34 3.53 4.24 2.80 3.47 3.05
100-119 3.56 3.63 3.59 2.19 3.82 3.98 4.37 3.36 3.87 3.36
120-138 3.71 3.17 3.34 3.82 2.21 3.87 5.13 4.19 3.91 3.31
139-155 3.66 3.59 3.53 3.98 3.87 2.43 4.73 3.11 4.08 3.63
156-167 4.33 4.25 4.24 4.37 5.13 4.73 2.67 3.54 4.23 3.53
168-196 3.24 2.83 2.80 3.36 4.19 3.11 3.54 1.88 3.49 3.16
197-207 2.76 2.99 3.47 3.87 3.91 4.08 4.23 3.49 1.33 3.03
208-222 2.98 2.93 3.05 3.36 3.31 3.63 3.53 3.16 3.03 1.69

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
1DV7_CHAINA_NTLS10_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
1DV7_CHAINA_NTLS10_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
1DV7_CHAINA_NTLS10_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
1DV7_CHAINA_NTLS10_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 2-37
1DV7_CHAINA_TLSA2_37_BoBc

Distribution Histogram of TLS Group 38-61
1DV7_CHAINA_TLSA38_61_BoBc

Distribution Histogram of TLS Group 62-99
1DV7_CHAINA_TLSA62_99_BoBc

Distribution Histogram of TLS Group 100-119
1DV7_CHAINA_TLSA100_119_BoBc

Distribution Histogram of TLS Group 120-138
1DV7_CHAINA_TLSA120_138_BoBc

Distribution Histogram of TLS Group 139-155
1DV7_CHAINA_TLSA139_155_BoBc

Distribution Histogram of TLS Group 156-167
1DV7_CHAINA_TLSA156_167_BoBc

Distribution Histogram of TLS Group 168-196
1DV7_CHAINA_TLSA168_196_BoBc

Distribution Histogram of TLS Group 197-207
1DV7_CHAINA_TLSA197_207_BoBc

Distribution Histogram of TLS Group 208-222
1DV7_CHAINA_TLSA208_222_BoBc
26 Mar 2010JobID: TLSMD7767_ubOwTrFFTLSMD Version 1.4.1 Released 11 February 2010