26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1

1DVJ: Chain A Partitioned by 10 TLS Groups


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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=2.05 and residual=0.16)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue9-3729244 21.1 5.871.00 2.37 11.6 8.80, 0.00, 4.24 21.10.73
green38-6124189 18.1 4.661.00 1.96 12.1 7.91, 0.00, 3.77 18.10.74
magenta62-10140319 16.8 5.421.00 2.29 10.510.63, 0.00, 2.03 16.80.72
red102-11918130 20.3 6.741.00 2.23 13.432.34, 0.00, 4.09 20.30.70
cyan120-14728209 18.2 3.721.00 2.39 13.0 4.20, 0.95, 0.00 18.20.82
yellow148-16114105 17.9 4.781.00 2.05 12.113.78, 0.00, 3.75 17.90.76
violet162-169873 22.9 6.761.00 2.57 13.832.56, 0.00, 4.49 22.90.72
purpleblue170-18920144 19.6 4.921.00 1.79 13.711.01, 1.68, 0.00 19.60.76
salmon190-21728197 17.5 3.521.00 1.62 14.3 4.68, 1.56, 0.00 17.50.81
lime218-24730221 25.0 6.801.00 2.40 18.113.89, 0.00, 0.00 25.00.76


Mean BFactor Analysis
1DVJ_CHAINA_NTLS10_BMEAN

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



RMSD B Values of Combined TLS Groups
9-3738-6162-101102-119120-147148-161162-169170-189190-217218-247
9-37 2.27 2.74 3.37 3.82 3.26 3.13 3.02 3.00 2.60 3.26
38-61 2.74 1.79 2.69 3.35 2.48 2.55 2.81 2.32 2.15 3.15
62-101 3.37 2.69 2.14 2.95 2.95 3.01 2.94 3.09 2.91 3.58
102-119 3.82 3.35 2.95 2.17 3.53 3.67 3.71 3.50 3.21 3.65
120-147 3.26 2.48 2.95 3.53 2.11 2.87 3.25 2.42 2.16 3.24
148-161 3.13 2.55 3.01 3.67 2.87 1.86 3.37 2.55 2.26 3.11
162-169 3.02 2.81 2.94 3.71 3.25 3.37 2.57 3.17 2.82 3.15
170-189 3.00 2.32 3.09 3.50 2.42 2.55 3.17 1.71 2.11 2.84
190-217 2.60 2.15 2.91 3.21 2.16 2.26 2.82 2.11 1.43 2.76
218-247 3.26 3.15 3.58 3.65 3.24 3.11 3.15 2.84 2.76 2.40

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_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
1DVJ_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
1DVJ_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
1DVJ_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 9-37
1DVJ_CHAINA_TLSA9_37_BoBc

Distribution Histogram of TLS Group 38-61
1DVJ_CHAINA_TLSA38_61_BoBc

Distribution Histogram of TLS Group 62-101
1DVJ_CHAINA_TLSA62_101_BoBc

Distribution Histogram of TLS Group 102-119
1DVJ_CHAINA_TLSA102_119_BoBc

Distribution Histogram of TLS Group 120-147
1DVJ_CHAINA_TLSA120_147_BoBc

Distribution Histogram of TLS Group 148-161
1DVJ_CHAINA_TLSA148_161_BoBc

Distribution Histogram of TLS Group 162-169
1DVJ_CHAINA_TLSA162_169_BoBc

Distribution Histogram of TLS Group 170-189
1DVJ_CHAINA_TLSA170_189_BoBc

Distribution Histogram of TLS Group 190-217
1DVJ_CHAINA_TLSA190_217_BoBc

Distribution Histogram of TLS Group 218-247
1DVJ_CHAINA_TLSA218_247_BoBc
26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1 Released 11 February 2010