26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1

1DVJ: Chain C Partitioned by 8 TLS Groups


Back to Index    Back to Chain C Analysis

Analysis of TLS Group 8 Chain Segments (overall rmsd_b=2.21 and residual=0.18)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue9-5244348 21.6 6.591.00 2.28 13.2 8.44, 0.00, 2.54 21.60.68
green53-10250400 18.0 5.541.00 2.44 10.7 8.70, 0.00, 2.34 18.00.72
magenta103-11917126 20.7 6.511.00 2.16 13.829.33, 0.00, 3.14 20.70.70
red120-1311290 16.3 2.181.00 1.32 14.514.34, 0.38, 0.00 16.30.88
cyan132-15120146 18.5 4.241.00 1.87 13.317.84, 2.82, 0.00 18.50.80
yellow152-19241315 20.5 5.831.00 2.63 12.1 7.50, 3.58, 1.80 20.50.75
violet193-21725177 21.5 6.271.00 1.53 12.6 4.42, 0.00, 2.00 21.50.69
purpleblue218-24427204 27.7 6.511.00 2.59 19.417.02, 1.04, 0.00 27.70.78


Mean BFactor Analysis
1DVJ_CHAINC_NTLS8_BMEAN

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



RMSD B Values of Combined TLS Groups
9-5253-102103-119120-131132-151152-192193-217218-244
9-52 2.24 2.96 3.17 2.60 2.84 2.86 2.20 3.07
53-102 2.96 2.34 2.87 2.71 2.81 3.11 2.67 3.62
103-119 3.17 2.87 2.03 2.74 3.22 3.32 2.79 3.80
120-131 2.60 2.71 2.74 1.27 2.57 2.78 1.78 3.29
132-151 2.84 2.81 3.22 2.57 1.75 2.83 2.32 3.33
152-192 2.86 3.11 3.32 2.78 2.83 2.62 2.76 3.22
193-217 2.20 2.67 2.79 1.78 2.32 2.76 1.48 3.12
218-244 3.07 3.62 3.80 3.29 3.33 3.22 3.12 2.51

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_CHAINC_NTLS8_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_CHAINC_NTLS8_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_CHAINC_NTLS8_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_CHAINC_NTLS8_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 9-52
1DVJ_CHAINC_TLSC9_52_BoBc

Distribution Histogram of TLS Group 53-102
1DVJ_CHAINC_TLSC53_102_BoBc

Distribution Histogram of TLS Group 103-119
1DVJ_CHAINC_TLSC103_119_BoBc

Distribution Histogram of TLS Group 120-131
1DVJ_CHAINC_TLSC120_131_BoBc

Distribution Histogram of TLS Group 132-151
1DVJ_CHAINC_TLSC132_151_BoBc

Distribution Histogram of TLS Group 152-192
1DVJ_CHAINC_TLSC152_192_BoBc

Distribution Histogram of TLS Group 193-217
1DVJ_CHAINC_TLSC193_217_BoBc

Distribution Histogram of TLS Group 218-244
1DVJ_CHAINC_TLSC218_244_BoBc
26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1 Released 11 February 2010