26 Mar 2010JobID: TLSMD7769_QGwZqBPaTLSMD Version 1.4.1

1BNC: Chain A Partitioned by 5 TLS Groups


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Analysis of TLS Group 5 Chain Segments (overall rmsd_b=18.45 and residual=23.63)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue1-7272538 36.720.721.0016.87 18.5 0.00, 11.59, 14.70 36.70.68
green73-13260439 42.924.861.0019.13 18.229.52, 0.00, 2.85 42.90.63
magenta133-20661470 63.928.591.0021.47 30.529.68, 0.00, 5.58 63.90.71
red207-3371311039 35.021.491.0017.67 16.7 0.00, 9.61, 7.03 35.00.67
cyan338-446109870 35.722.031.0018.40 17.4 0.00, 6.27, 10.19 35.70.68


Mean BFactor Analysis
1BNC_CHAINA_NTLS5_BMEAN

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



RMSD B Values of Combined TLS Groups
1-7273-132133-206207-337338-446
1-72 16.86 18.83 21.43 17.97 18.47
73-132 18.83 19.02 22.41 18.58 19.59
133-206 21.43 22.41 21.46 20.61 20.83
207-337 17.97 18.58 20.61 17.59 18.73
338-446 18.47 19.59 20.83 18.73 18.31

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
1BNC_CHAINA_NTLS5_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
1BNC_CHAINA_NTLS5_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
1BNC_CHAINA_NTLS5_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
1BNC_CHAINA_NTLS5_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 1-72
1BNC_CHAINA_TLSA1_72_BoBc

Distribution Histogram of TLS Group 73-132
1BNC_CHAINA_TLSA73_132_BoBc

Distribution Histogram of TLS Group 133-206
1BNC_CHAINA_TLSA133_206_BoBc

Distribution Histogram of TLS Group 207-337
1BNC_CHAINA_TLSA207_337_BoBc

Distribution Histogram of TLS Group 338-446
1BNC_CHAINA_TLSA338_446_BoBc
26 Mar 2010JobID: TLSMD7769_QGwZqBPaTLSMD Version 1.4.1 Released 11 February 2010