30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1

1KP8: Chain L Partitioned by 20 TLS Groups


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Analysis of TLS Group 20 Chain Segments (overall rmsd_b=3.12 and residual=0.82)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.2 6.621.00 4.30 38.6 0.00, 19.47, 0.00 43.20.87
green18-5235255 41.411.941.00 4.55 30.6 9.64, 3.59, 0.00 41.40.75
magenta53-7826199 44.7 8.221.00 3.49 33.923.37, 4.36, 0.00 44.70.83
red79-10931204 39.610.151.00 3.53 30.3 1.97, 0.00, 14.08 39.60.78
cyan110-15041294 50.914.771.00 4.93 31.316.00, 3.84, 0.00 50.90.71
yellow151-17828200 78.7 6.651.00 2.92 68.3 0.57, 6.64, 12.11 78.70.91
violet179-20022171 96.2 7.601.00 3.32 86.9 7.18, 2.22, 0.00 96.20.92
purpleblue201-22626205121.2 6.331.00 2.41116.6 0.00, 6.09, 0.00121.20.94
salmon227-24519141134.5 7.761.00 2.79134.5 0.00, 0.00, 0.00134.50.94
lime246-27328206133.512.811.00 4.20130.8 6.07, 0.00, 0.00133.50.89
slate274-30330214101.510.501.00 3.66 96.012.98, 0.00, 0.00101.50.89
bluegreen304-32724186117.914.651.00 3.58116.0 2.99, 0.00, 0.00117.90.86
hotpink328-35326194 95.1 6.391.00 2.78 84.912.84, 3.05, 0.00 95.10.93
orange354-37825191 84.1 7.591.00 2.70 73.017.53, 1.06, 0.00 84.10.90
yellowgreen379-40123177 89.311.311.00 3.61 86.9 0.00, 12.17, 0.00 89.30.86
blueviolet402-42322144 47.610.671.00 2.83 38.312.67, 0.00, 1.09 47.60.80
marine424-44421154 41.6 8.271.00 2.46 31.5 3.95, 8.96, 10.65 41.60.80
olive445-45915114 37.7 8.071.00 3.17 28.318.42, 8.05, 0.00 37.70.80
purple460-49435256 50.1 6.391.00 3.09 39.6 0.00, 5.87, 12.75 50.10.88
teal495-52632235 42.813.341.00 3.98 32.817.19, 0.00, 1.18 42.80.75


Mean BFactor Analysis
1KP8_CHAINL_NTLS20_BMEAN

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



RMSD B Values of Combined TLS Groups
2-1718-5253-7879-109110-150151-178179-200201-226227-245246-273274-303304-327328-353354-378379-401402-423424-444445-459460-494495-526
2-17 2.59 4.23 4.10 4.55 5.49 5.09 8.80 9.20 7.69 8.59 7.65 7.63 6.65 5.60 5.98 4.22 4.27 4.37 4.16 4.77
18-52 4.23 3.24 4.11 4.15 5.54 7.20 6.97 12.39 6.32 9.18 7.69 7.48 6.85 5.56 8.04 4.48 3.43 4.33 4.72 5.62
53-78 4.10 4.11 3.18 5.09 5.57 5.84 7.77 12.74 5.87 9.11 7.33 7.00 7.22 5.82 7.65 5.62 4.41 4.94 4.40 6.47
79-109 4.55 4.15 5.09 3.21 4.27 5.52 7.20 10.66 6.16 8.10 7.23 8.60 7.17 5.61 7.32 3.68 3.79 4.47 3.82 5.00
110-150 5.49 5.54 5.57 4.27 4.17 5.33 6.66 7.24 6.34 7.31 6.51 6.59 6.43 5.79 6.23 5.41 4.50 6.14 5.44 5.04
151-178 5.09 7.20 5.84 5.52 5.33 2.92 5.05 6.66 5.56 6.34 4.47 5.22 4.27 4.35 5.33 6.16 4.42 6.62 6.10 5.10
179-200 8.80 6.97 7.77 7.20 6.66 5.05 2.99 5.96 4.64 6.08 4.34 4.32 3.61 4.73 4.39 5.90 5.25 7.33 5.89 9.09
201-226 9.20 12.39 12.74 10.66 7.24 6.66 5.96 2.30 3.39 4.28 4.61 4.48 5.28 5.65 6.39 6.71 6.28 9.20 7.73 8.94
227-245 7.69 6.32 5.87 6.16 6.34 5.56 4.64 3.39 2.07 3.79 5.39 3.72 5.47 5.87 3.77 5.22 5.57 6.56 5.40 6.55
246-273 8.59 9.18 9.11 8.10 7.31 6.34 6.08 4.28 3.79 3.26 4.94 4.48 5.35 6.12 6.04 6.28 6.86 7.77 6.79 8.75
274-303 7.65 7.69 7.33 7.23 6.51 4.47 4.34 4.61 5.39 4.94 3.63 5.76 4.82 5.48 5.34 5.85 5.51 7.15 5.81 7.62
304-327 7.63 7.48 7.00 8.60 6.59 5.22 4.32 4.48 3.72 4.48 5.76 3.57 4.75 5.58 4.29 5.59 5.63 7.29 6.34 8.18
328-353 6.65 6.85 7.22 7.17 6.43 4.27 3.61 5.28 5.47 5.35 4.82 4.75 2.78 4.37 5.06 5.21 4.95 5.66 5.26 7.41
354-378 5.60 5.56 5.82 5.61 5.79 4.35 4.73 5.65 5.87 6.12 5.48 5.58 4.37 2.68 4.56 5.44 4.26 6.10 5.30 6.01
379-401 5.98 8.04 7.65 7.32 6.23 5.33 4.39 6.39 3.77 6.04 5.34 4.29 5.06 4.56 2.39 6.27 5.00 7.97 7.12 6.53
402-423 4.22 4.48 5.62 3.68 5.41 6.16 5.90 6.71 5.22 6.28 5.85 5.59 5.21 5.44 6.27 2.75 4.20 3.93 3.91 3.99
424-444 4.27 3.43 4.41 3.79 4.50 4.42 5.25 6.28 5.57 6.86 5.51 5.63 4.95 4.26 5.00 4.20 2.46 5.11 4.02 4.91
445-459 4.37 4.33 4.94 4.47 6.14 6.62 7.33 9.20 6.56 7.77 7.15 7.29 5.66 6.10 7.97 3.93 5.11 2.98 4.11 4.46
460-494 4.16 4.72 4.40 3.82 5.44 6.10 5.89 7.73 5.40 6.79 5.81 6.34 5.26 5.30 7.12 3.91 4.02 4.11 3.03 4.19
495-526 4.77 5.62 6.47 5.00 5.04 5.10 9.09 8.94 6.55 8.75 7.62 8.18 7.41 6.01 6.53 3.99 4.91 4.46 4.19 3.70

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_CHAINL_NTLS20_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_CHAINL_NTLS20_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_CHAINL_NTLS20_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_CHAINL_NTLS20_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 2-17
1KP8_CHAINL_TLSL2_17_BoBc

Distribution Histogram of TLS Group 18-52
1KP8_CHAINL_TLSL18_52_BoBc

Distribution Histogram of TLS Group 53-78
1KP8_CHAINL_TLSL53_78_BoBc

Distribution Histogram of TLS Group 79-109
1KP8_CHAINL_TLSL79_109_BoBc

Distribution Histogram of TLS Group 110-150
1KP8_CHAINL_TLSL110_150_BoBc

Distribution Histogram of TLS Group 151-178
1KP8_CHAINL_TLSL151_178_BoBc

Distribution Histogram of TLS Group 179-200
1KP8_CHAINL_TLSL179_200_BoBc

Distribution Histogram of TLS Group 201-226
1KP8_CHAINL_TLSL201_226_BoBc

Distribution Histogram of TLS Group 227-245
1KP8_CHAINL_TLSL227_245_BoBc

Distribution Histogram of TLS Group 246-273
1KP8_CHAINL_TLSL246_273_BoBc

Distribution Histogram of TLS Group 274-303
1KP8_CHAINL_TLSL274_303_BoBc

Distribution Histogram of TLS Group 304-327
1KP8_CHAINL_TLSL304_327_BoBc

Distribution Histogram of TLS Group 328-353
1KP8_CHAINL_TLSL328_353_BoBc

Distribution Histogram of TLS Group 354-378
1KP8_CHAINL_TLSL354_378_BoBc

Distribution Histogram of TLS Group 379-401
1KP8_CHAINL_TLSL379_401_BoBc

Distribution Histogram of TLS Group 402-423
1KP8_CHAINL_TLSL402_423_BoBc

Distribution Histogram of TLS Group 424-444
1KP8_CHAINL_TLSL424_444_BoBc

Distribution Histogram of TLS Group 445-459
1KP8_CHAINL_TLSL445_459_BoBc

Distribution Histogram of TLS Group 460-494
1KP8_CHAINL_TLSL460_494_BoBc

Distribution Histogram of TLS Group 495-526
1KP8_CHAINL_TLSL495_526_BoBc
30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1 Released 11 February 2010