26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1

1DVJ: Chain D Partitioned by 7 TLS Groups


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Analysis of TLS Group 7 Chain Segments (overall rmsd_b=2.34 and residual=0.19)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue9-3729236 23.0 5.961.00 2.10 12.7 0.00, 10.75, 5.83 23.00.73
green38-6225200 20.4 6.751.00 2.45 12.311.05, 0.00, 4.66 20.40.68
magenta63-10644338 15.4 4.351.00 2.38 10.4 7.45, 2.51, 0.00 15.40.77
red107-11913108 18.0 7.181.00 2.81 10.034.07, 0.00, 3.62 18.00.67
cyan120-14021157 17.7 3.651.00 2.31 14.9 3.38, 0.42, 0.00 17.70.82
yellow141-20060449 20.3 5.281.00 2.54 11.7 7.24, 0.87, 2.65 20.30.77
violet201-22222152 25.0 9.161.00 2.35 15.1 9.99, 4.72, 0.00 25.00.64


Mean BFactor Analysis
1DVJ_CHAIND_NTLS7_BMEAN

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



RMSD B Values of Combined TLS Groups
9-3738-6263-106107-119120-140141-200201-222
9-37 2.05 2.83 3.06 4.02 2.84 2.95 3.22
38-62 2.83 2.33 2.98 4.17 2.94 2.93 2.96
63-106 3.06 2.98 2.25 3.41 2.74 2.94 3.04
107-119 4.02 4.17 3.41 2.68 3.84 3.61 3.70
120-140 2.84 2.94 2.74 3.84 2.11 2.79 2.52
141-200 2.95 2.93 2.94 3.61 2.79 2.54 3.60
201-222 3.22 2.96 3.04 3.70 2.52 3.60 2.33

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_CHAIND_NTLS7_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_CHAIND_NTLS7_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_CHAIND_NTLS7_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_CHAIND_NTLS7_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_CHAIND_TLSD9_37_BoBc

Distribution Histogram of TLS Group 38-62
1DVJ_CHAIND_TLSD38_62_BoBc

Distribution Histogram of TLS Group 63-106
1DVJ_CHAIND_TLSD63_106_BoBc

Distribution Histogram of TLS Group 107-119
1DVJ_CHAIND_TLSD107_119_BoBc

Distribution Histogram of TLS Group 120-140
1DVJ_CHAIND_TLSD120_140_BoBc

Distribution Histogram of TLS Group 141-200
1DVJ_CHAIND_TLSD141_200_BoBc

Distribution Histogram of TLS Group 201-222
1DVJ_CHAIND_TLSD201_222_BoBc
26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1 Released 11 February 2010