26 Mar 2010JobID: TLSMD7768_GeqMHSlETLSMD Version 1.4.1

1JG6: Chain A Partitioned by 8 TLS Groups


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Analysis of TLS Group 8 Chain Segments (overall rmsd_b=2.73 and residual=0.42)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue1-4343334 20.8 5.261.00 2.53 14.4 9.44, 3.00, 0.00 20.80.78
green44-9855448 23.4 5.881.00 2.97 15.1 0.00, 2.11, 4.98 23.40.76
magenta99-13133283 23.9 5.981.00 3.28 19.7 0.00, 9.68, 0.00 23.90.79
red132-16635287 21.9 5.861.00 2.77 14.5 0.00, 7.88, 5.26 21.90.76
cyan167-21145363 18.8 4.171.00 2.45 13.2 4.08, 1.52, 0.00 18.80.81
yellow212-24433272 22.6 6.031.00 2.89 17.814.99, 0.40, 0.00 22.60.77
violet245-31066541 17.8 4.221.00 2.87 13.6 4.13, 0.00, 1.83 17.80.82
purpleblue311-35141341 21.8 5.071.00 3.14 12.311.72, 0.00, 2.26 21.80.81


Mean BFactor Analysis
1JG6_CHAINA_NTLS8_BMEAN

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



RMSD B Values of Combined TLS Groups
1-4344-9899-131132-166167-211212-244245-310311-351
1-43 2.52 3.07 3.44 3.07 3.18 4.10 3.23 3.56
44-98 3.07 2.90 3.51 3.50 3.50 4.40 3.60 3.71
99-131 3.44 3.51 2.82 3.52 3.51 4.72 3.73 4.04
132-166 3.07 3.50 3.52 2.69 3.29 4.05 3.25 3.30
167-211 3.18 3.50 3.51 3.29 2.37 3.25 2.78 3.11
212-244 4.10 4.40 4.72 4.05 3.25 2.79 3.48 4.00
245-310 3.23 3.60 3.73 3.25 2.78 3.48 2.82 3.29
311-351 3.56 3.71 4.04 3.30 3.11 4.00 3.29 2.84

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
1JG6_CHAINA_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
1JG6_CHAINA_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
1JG6_CHAINA_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
1JG6_CHAINA_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 1-43
1JG6_CHAINA_TLSA1_43_BoBc

Distribution Histogram of TLS Group 44-98
1JG6_CHAINA_TLSA44_98_BoBc

Distribution Histogram of TLS Group 99-131
1JG6_CHAINA_TLSA99_131_BoBc

Distribution Histogram of TLS Group 132-166
1JG6_CHAINA_TLSA132_166_BoBc

Distribution Histogram of TLS Group 167-211
1JG6_CHAINA_TLSA167_211_BoBc

Distribution Histogram of TLS Group 212-244
1JG6_CHAINA_TLSA212_244_BoBc

Distribution Histogram of TLS Group 245-310
1JG6_CHAINA_TLSA245_310_BoBc

Distribution Histogram of TLS Group 311-351
1JG6_CHAINA_TLSA311_351_BoBc
26 Mar 2010JobID: TLSMD7768_GeqMHSlETLSMD Version 1.4.1 Released 11 February 2010