30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1

1KP8: Chain N Partitioned by 16 TLS Groups


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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.81 and residual=1.22)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-5251370 41.110.021.00 5.13 32.8 9.20, 0.01, 0.00 41.10.80
green53-7826199 43.0 8.561.00 3.81 32.923.71, 0.00, 5.02 43.00.82
magenta79-13961422 44.111.491.00 4.89 29.011.27, 0.00, 5.40 44.10.77
red140-17738267 75.8 7.261.00 3.63 65.816.48, 2.12, 0.00 75.80.91
cyan178-20023180 86.2 7.711.00 4.06 76.4 5.87, 3.01, 0.00 86.20.91
yellow201-22525196 96.811.921.00 3.62 66.811.09, 2.07, 0.00 96.80.86
violet226-24621157112.410.261.00 4.51110.8 0.00, 2.55, 0.00112.40.91
purpleblue247-26721153102.815.661.00 4.52 98.910.44, 0.00, 0.00102.80.82
salmon268-28316111101.411.601.00 2.79 80.6 7.73, 0.00, 2.11101.40.88
lime284-30320149 92.014.021.00 3.15 84.2 0.00, 4.71, 10.35 92.00.84
slate304-33936272 96.416.711.00 4.11 71.4 9.24, 0.00, 3.62 96.40.81
bluegreen340-36728227116.3 8.921.00 3.20114.0 0.00, 5.18, 0.00116.30.91
hotpink368-40336261 82.011.671.00 4.44 73.0 0.00, 6.93, 0.00 82.00.84
orange404-44441286 45.310.031.00 4.27 35.414.70, 0.00, 1.66 45.30.81
yellowgreen445-49450370 45.0 7.921.00 3.95 28.0 9.22, 0.00, 4.36 45.00.83
blueviolet495-52632235 43.213.101.00 4.15 34.918.44, 0.00, 0.00 43.20.76


Mean BFactor Analysis
1KP8_CHAINN_NTLS16_BMEAN

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



RMSD B Values of Combined TLS Groups
2-5253-7879-139140-177178-200201-225226-246247-267268-283284-303304-339340-367368-403404-444445-494495-526
2-52 4.16 4.68 5.97 7.47 7.88 13.06 7.18 8.75 5.92 7.33 7.66 7.01 8.69 5.64 5.53 6.68
53-78 4.68 3.30 5.43 5.91 6.42 11.36 5.94 7.64 5.51 5.92 6.88 6.60 7.34 5.58 4.87 6.93
79-139 5.97 5.43 4.38 6.24 6.70 9.48 6.40 7.46 6.11 7.67 7.42 8.55 7.18 5.05 5.34 5.86
140-177 7.47 5.91 6.24 3.63 5.07 5.17 4.93 4.62 4.57 3.89 4.50 6.36 4.82 6.51 6.51 5.61
178-200 7.88 6.42 6.70 5.07 3.99 5.53 4.84 5.23 4.58 5.11 4.69 5.94 4.96 6.58 6.16 7.54
201-225 13.06 11.36 9.48 5.17 5.53 3.35 5.18 4.78 4.17 3.76 5.43 4.83 5.75 8.02 9.29 7.61
226-246 7.18 5.94 6.40 4.93 4.84 5.18 3.45 5.26 4.50 5.32 4.83 4.10 4.56 6.38 5.43 6.16
247-267 8.75 7.64 7.46 4.62 5.23 4.78 5.26 3.71 5.69 4.94 5.41 6.28 5.02 7.18 6.16 7.14
268-283 5.92 5.51 6.11 4.57 4.58 4.17 4.50 5.69 2.73 4.53 4.89 4.76 4.49 5.72 4.76 5.42
284-303 7.33 5.92 7.67 3.89 5.11 3.76 5.32 4.94 4.53 3.08 5.50 4.57 4.80 7.71 5.77 6.00
304-339 7.66 6.88 7.42 4.50 4.69 5.43 4.83 5.41 4.89 5.50 4.06 4.75 4.58 7.25 7.61 7.92
340-367 7.01 6.60 8.55 6.36 5.94 4.83 4.10 6.28 4.76 4.57 4.75 3.08 7.01 7.55 7.84 8.22
368-403 8.69 7.34 7.18 4.82 4.96 5.75 4.56 5.02 4.49 4.80 4.58 7.01 4.23 6.71 7.12 6.13
404-444 5.64 5.58 5.05 6.51 6.58 8.02 6.38 7.18 5.72 7.71 7.25 7.55 6.71 3.78 5.26 5.39
445-494 5.53 4.87 5.34 6.51 6.16 9.29 5.43 6.16 4.76 5.77 7.61 7.84 7.12 5.26 3.80 4.99
495-526 6.68 6.93 5.86 5.61 7.54 7.61 6.16 7.14 5.42 6.00 7.92 8.22 6.13 5.39 4.99 3.89

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_CHAINN_NTLS16_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_CHAINN_NTLS16_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_CHAINN_NTLS16_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_CHAINN_NTLS16_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 2-52
1KP8_CHAINN_TLSN2_52_BoBc

Distribution Histogram of TLS Group 53-78
1KP8_CHAINN_TLSN53_78_BoBc

Distribution Histogram of TLS Group 79-139
1KP8_CHAINN_TLSN79_139_BoBc

Distribution Histogram of TLS Group 140-177
1KP8_CHAINN_TLSN140_177_BoBc

Distribution Histogram of TLS Group 178-200
1KP8_CHAINN_TLSN178_200_BoBc

Distribution Histogram of TLS Group 201-225
1KP8_CHAINN_TLSN201_225_BoBc

Distribution Histogram of TLS Group 226-246
1KP8_CHAINN_TLSN226_246_BoBc

Distribution Histogram of TLS Group 247-267
1KP8_CHAINN_TLSN247_267_BoBc

Distribution Histogram of TLS Group 268-283
1KP8_CHAINN_TLSN268_283_BoBc

Distribution Histogram of TLS Group 284-303
1KP8_CHAINN_TLSN284_303_BoBc

Distribution Histogram of TLS Group 304-339
1KP8_CHAINN_TLSN304_339_BoBc

Distribution Histogram of TLS Group 340-367
1KP8_CHAINN_TLSN340_367_BoBc

Distribution Histogram of TLS Group 368-403
1KP8_CHAINN_TLSN368_403_BoBc

Distribution Histogram of TLS Group 404-444
1KP8_CHAINN_TLSN404_444_BoBc

Distribution Histogram of TLS Group 445-494
1KP8_CHAINN_TLSN445_494_BoBc

Distribution Histogram of TLS Group 495-526
1KP8_CHAINN_TLSN495_526_BoBc
30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1 Released 11 February 2010