26 Mar 2010JobID: TLSMD7779_PGZeKVnRTLSMD Version 1.4.1

1VJU: Chain A Partitioned by 13 TLS Groups


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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=3.11 and residual=0.45)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue8-3730226 18.9 7.821.00 3.13 9.236.72, 3.03, 0.00 18.90.67
green38-6932223 20.1 6.801.00 3.55 10.920.41, 3.66, 0.00 20.10.71
magenta70-9616122 21.6 8.421.00 4.67 15.3 0.00, 45.67, 0.00 21.60.71
red97-11620144 11.6 3.211.00 2.63 9.015.22, 0.84, 0.00 11.60.84
cyan117-13014115 25.012.651.00 2.94 7.649.79, 8.06, 0.00 25.00.55
yellow131-14717144 13.4 4.121.00 1.76 10.0 6.89, 0.64, 0.00 13.40.72
violet148-16316131 17.2 9.081.00 3.40 10.337.89, 0.00, 4.35 17.20.57
purpleblue164-19734287 14.3 4.731.00 3.32 10.310.02, 0.00, 1.30 14.30.77
salmon198-22730248 15.7 5.161.00 3.02 9.214.27, 0.00, 2.20 15.70.75
lime228-25023209 14.9 7.281.00 3.59 5.514.40, 0.00, 5.15 14.90.61
slate251-26717122 20.9 9.731.00 3.87 11.224.41, 6.71, 0.00 20.90.60
bluegreen268-28922184 16.2 7.491.00 4.66 7.120.97, 0.00, 3.26 16.20.69
hotpink290-30920172 18.1 7.881.00 3.56 7.116.44, 0.00, 5.68 18.10.64


Mean BFactor Analysis
1VJU_CHAINA_NTLS13_BMEAN

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



RMSD B Values of Combined TLS Groups
8-3738-6970-9697-116117-130131-147148-163164-197198-227228-250251-267268-289290-309
8-37 3.13 4.49 5.66 4.06 5.05 4.24 4.46 4.25 4.20 4.83 4.82 5.37 4.10
38-69 4.49 3.43 5.32 3.64 4.59 3.74 4.97 4.14 3.67 4.06 4.59 4.40 4.14
70-96 5.66 5.32 4.02 4.88 5.47 5.14 6.48 4.98 4.79 5.22 6.49 6.28 5.34
97-116 4.06 3.64 4.88 2.62 4.49 2.23 4.20 3.42 3.06 3.82 4.25 4.33 3.71
117-130 5.05 4.59 5.47 4.49 2.91 4.88 5.77 4.47 4.45 5.20 6.69 6.05 4.94
131-147 4.24 3.74 5.14 2.23 4.88 1.42 3.85 3.19 2.94 4.43 3.97 4.56 3.39
148-163 4.46 4.97 6.48 4.20 5.77 3.85 3.24 4.08 4.08 5.20 5.33 5.51 3.89
164-197 4.25 4.14 4.98 3.42 4.47 3.19 4.08 3.08 3.76 4.75 4.26 4.58 4.62
198-227 4.20 3.67 4.79 3.06 4.45 2.94 4.08 3.76 2.94 4.62 4.70 4.94 3.82
228-250 4.83 4.06 5.22 3.82 5.20 4.43 5.20 4.75 4.62 3.37 4.18 3.74 4.60
251-267 4.82 4.59 6.49 4.25 6.69 3.97 5.33 4.26 4.70 4.18 3.11 4.97 4.30
268-289 5.37 4.40 6.28 4.33 6.05 4.56 5.51 4.58 4.94 3.74 4.97 2.74 4.97
290-309 4.10 4.14 5.34 3.71 4.94 3.39 3.89 4.62 3.82 4.60 4.30 4.97 3.53

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
1VJU_CHAINA_NTLS13_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
1VJU_CHAINA_NTLS13_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
1VJU_CHAINA_NTLS13_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
1VJU_CHAINA_NTLS13_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 8-37
1VJU_CHAINA_TLSA8_37_BoBc

Distribution Histogram of TLS Group 38-69
1VJU_CHAINA_TLSA38_69_BoBc

Distribution Histogram of TLS Group 70-96
1VJU_CHAINA_TLSA70_96_BoBc

Distribution Histogram of TLS Group 97-116
1VJU_CHAINA_TLSA97_116_BoBc

Distribution Histogram of TLS Group 117-130
1VJU_CHAINA_TLSA117_130_BoBc

Distribution Histogram of TLS Group 131-147
1VJU_CHAINA_TLSA131_147_BoBc

Distribution Histogram of TLS Group 148-163
1VJU_CHAINA_TLSA148_163_BoBc

Distribution Histogram of TLS Group 164-197
1VJU_CHAINA_TLSA164_197_BoBc

Distribution Histogram of TLS Group 198-227
1VJU_CHAINA_TLSA198_227_BoBc

Distribution Histogram of TLS Group 228-250
1VJU_CHAINA_TLSA228_250_BoBc

Distribution Histogram of TLS Group 251-267
1VJU_CHAINA_TLSA251_267_BoBc

Distribution Histogram of TLS Group 268-289
1VJU_CHAINA_TLSA268_289_BoBc

Distribution Histogram of TLS Group 290-309
1VJU_CHAINA_TLSA290_309_BoBc
26 Mar 2010JobID: TLSMD7779_PGZeKVnRTLSMD Version 1.4.1 Released 11 February 2010