30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1

1KP8: Chain C Partitioned by 17 TLS Groups


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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=3.26 and residual=0.89)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1817126 41.9 7.771.00 4.72 36.9 0.00, 21.62, 0.00 41.90.84
green19-5335248 40.212.351.00 3.77 31.1 8.87, 0.00, 4.93 40.20.72
magenta54-7825195 43.2 8.501.00 3.81 31.425.48, 3.70, 0.00 43.20.83
red79-12850342 41.3 9.691.00 4.11 30.2 0.00, 5.98, 9.19 41.30.79
cyan129-15022156 70.3 9.661.00 3.82 57.118.09, 0.00, 3.49 70.30.85
yellow151-17727191 91.9 6.431.00 3.97 83.9 9.23, 0.00, 1.88 91.90.93
violet178-20225193109.2 5.211.00 2.70102.6 6.77, 0.00, 0.82109.20.95
purpleblue203-22624192128.0 3.311.00 1.49123.9 4.35, 0.00, 0.93128.00.97
salmon227-27347347137.7 8.571.00 4.47109.0 2.19, 0.00, 0.00137.70.93
lime274-29926184115.6 4.561.00 2.13111.7 0.00, 10.82, 0.00115.60.96
slate300-36768529130.5 9.711.00 3.32105.1 3.63, 0.91, 0.04130.50.91
bluegreen368-38922150 99.8 6.951.00 2.34 90.5 5.48, 0.00, 0.87 99.80.93
hotpink390-41324180 71.017.781.00 3.67 65.518.68, 0.00, 0.00 71.00.75
orange414-44431217 43.6 7.581.00 3.85 35.414.98, 0.00, 1.37 43.60.84
yellowgreen445-48238276 44.5 9.191.00 3.54-10.913.13, 0.99, 0.00 44.50.80
blueviolet483-51331230 42.9 8.671.00 3.30 35.4 7.55, 0.00, 0.50 42.90.79
marine514-5261399 46.316.861.00 3.21 29.127.63, 10.36, 0.00 46.30.66


Mean BFactor Analysis
1KP8_CHAINC_NTLS17_BMEAN

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



RMSD B Values of Combined TLS Groups
2-1819-5354-7879-128129-150151-177178-202203-226227-273274-299300-367368-389390-413414-444445-482483-513514-526
2-18 4.06 4.58 4.72 4.91 5.22 5.41 8.50 9.10 8.27 6.65 6.54 5.97 6.05 4.82 4.64 4.62 4.76
19-53 4.58 2.99 4.29 4.17 4.34 6.08 6.25 11.69 8.42 6.38 6.57 4.99 5.98 3.87 4.85 4.21 4.41
54-78 4.72 4.29 3.38 5.03 5.61 6.29 7.76 12.50 8.03 7.14 7.73 6.10 6.87 4.66 4.84 5.52 4.92
79-128 4.91 4.17 5.03 3.87 4.62 6.28 6.75 9.89 7.90 7.48 9.52 5.55 5.15 4.40 5.13 4.31 5.08
129-150 5.22 4.34 5.61 4.62 3.65 5.48 5.10 6.79 5.38 5.00 5.23 4.39 6.24 4.89 5.34 5.41 4.43
151-177 5.41 6.08 6.29 6.28 5.48 3.96 5.18 7.41 5.90 4.85 5.91 3.97 5.69 5.92 7.23 6.40 4.91
178-202 8.50 6.25 7.76 6.75 5.10 5.18 2.68 5.88 4.73 3.30 4.93 4.85 5.53 5.52 7.27 6.57 7.54
203-226 9.10 11.69 12.50 9.89 6.79 7.41 5.88 1.46 3.93 3.25 3.65 5.66 8.01 8.21 11.06 8.22 7.78
227-273 8.27 8.42 8.03 7.90 5.38 5.90 4.73 3.93 3.08 4.23 4.15 4.54 5.07 6.65 9.42 7.06 7.69
274-299 6.65 6.38 7.14 7.48 5.00 4.85 3.30 3.25 4.23 1.73 4.63 4.04 5.65 5.28 8.04 7.10 6.83
300-367 6.54 6.57 7.73 9.52 5.23 5.91 4.93 3.65 4.15 4.63 3.32 5.56 6.42 6.08 9.23 9.60 6.63
368-389 5.97 4.99 6.10 5.55 4.39 3.97 4.85 5.66 4.54 4.04 5.56 2.28 4.78 5.08 5.99 4.85 5.95
390-413 6.05 5.98 6.87 5.15 6.24 5.69 5.53 8.01 5.07 5.65 6.42 4.78 3.31 6.07 6.47 5.03 5.66
414-444 4.82 3.87 4.66 4.40 4.89 5.92 5.52 8.21 6.65 5.28 6.08 5.08 6.07 3.84 4.90 4.18 4.83
445-482 4.64 4.85 4.84 5.13 5.34 7.23 7.27 11.06 9.42 8.04 9.23 5.99 6.47 4.90 3.51 4.80 4.28
483-513 4.62 4.21 5.52 4.31 5.41 6.40 6.57 8.22 7.06 7.10 9.60 4.85 5.03 4.18 4.80 3.16 4.33
514-526 4.76 4.41 4.92 5.08 4.43 4.91 7.54 7.78 7.69 6.83 6.63 5.95 5.66 4.83 4.28 4.33 2.97

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
1KP8_CHAINC_NTLS17_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
1KP8_CHAINC_NTLS17_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
1KP8_CHAINC_NTLS17_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
1KP8_CHAINC_NTLS17_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 2-18
1KP8_CHAINC_TLSC2_18_BoBc

Distribution Histogram of TLS Group 19-53
1KP8_CHAINC_TLSC19_53_BoBc

Distribution Histogram of TLS Group 54-78
1KP8_CHAINC_TLSC54_78_BoBc

Distribution Histogram of TLS Group 79-128
1KP8_CHAINC_TLSC79_128_BoBc

Distribution Histogram of TLS Group 129-150
1KP8_CHAINC_TLSC129_150_BoBc

Distribution Histogram of TLS Group 151-177
1KP8_CHAINC_TLSC151_177_BoBc

Distribution Histogram of TLS Group 178-202
1KP8_CHAINC_TLSC178_202_BoBc

Distribution Histogram of TLS Group 203-226
1KP8_CHAINC_TLSC203_226_BoBc

Distribution Histogram of TLS Group 227-273
1KP8_CHAINC_TLSC227_273_BoBc

Distribution Histogram of TLS Group 274-299
1KP8_CHAINC_TLSC274_299_BoBc

Distribution Histogram of TLS Group 300-367
1KP8_CHAINC_TLSC300_367_BoBc

Distribution Histogram of TLS Group 368-389
1KP8_CHAINC_TLSC368_389_BoBc

Distribution Histogram of TLS Group 390-413
1KP8_CHAINC_TLSC390_413_BoBc

Distribution Histogram of TLS Group 414-444
1KP8_CHAINC_TLSC414_444_BoBc

Distribution Histogram of TLS Group 445-482
1KP8_CHAINC_TLSC445_482_BoBc

Distribution Histogram of TLS Group 483-513
1KP8_CHAINC_TLSC483_513_BoBc

Distribution Histogram of TLS Group 514-526
1KP8_CHAINC_TLSC514_526_BoBc
30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1 Released 11 February 2010