30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1

1KP8: Chain N Partitioned by 18 TLS Groups


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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=3.60 and residual=1.09)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.0 6.401.00 4.39 38.518.53, 0.00, 0.00 43.00.88
green18-7255409 40.610.201.00 4.94 32.0 8.91, 1.46, 0.00 40.60.78
magenta73-861495 51.8 5.901.00 3.74 49.7 0.00, 23.39, 0.00 51.80.90
red87-13953372 42.711.481.00 5.02 28.210.85, 0.00, 5.50 42.70.75
cyan140-17738267 75.8 7.261.00 3.63 65.816.48, 2.12, 0.00 75.80.91
yellow178-20023180 86.2 7.711.00 4.06 76.4 5.87, 3.01, 0.00 86.20.91
violet201-22525196 96.811.921.00 3.62 66.811.09, 2.07, 0.00 96.80.86
purpleblue226-24621157112.410.261.00 4.51110.8 0.00, 2.55, 0.00112.40.91
salmon247-26721153102.815.661.00 4.52 98.910.44, 0.00, 0.00102.80.82
lime268-28316111101.411.601.00 2.79 80.6 7.73, 0.00, 2.11101.40.88
slate284-30320149 92.014.021.00 3.15 84.2 0.00, 4.71, 10.35 92.00.84
bluegreen304-33936272 96.416.711.00 4.11 71.4 9.24, 0.00, 3.62 96.40.81
hotpink340-36526209116.9 8.981.00 2.88115.1 0.00, 5.19, 0.00116.90.91
orange366-3791498 86.114.171.00 3.20 78.7 9.95, 0.00, 0.30 86.10.83
yellowgreen380-41334250 74.618.101.00 4.53 69.7 0.00, 14.99, 0.00 74.60.75
blueviolet414-44734241 42.7 7.481.00 4.03 34.721.62, 1.59, 0.00 42.70.84
marine448-49447346 45.2 7.741.00 3.80 31.8 0.00, 9.27, 5.60 45.20.83
olive495-52632235 43.213.101.00 4.15 34.918.44, 0.00, 0.00 43.20.76


Mean BFactor Analysis
1KP8_CHAINN_NTLS18_BMEAN

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



RMSD B Values of Combined TLS Groups
2-1718-7273-8687-139140-177178-200201-225226-246247-267268-283284-303304-339340-365366-379380-413414-447448-494495-526
2-17 2.78 4.49 4.32 5.74 4.83 7.03 8.50 6.97 7.31 4.85 7.09 7.42 5.80 5.64 5.90 4.75 4.68 4.80
18-72 4.49 3.73 5.34 5.37 7.21 7.13 13.50 6.36 8.13 5.82 6.99 7.26 7.12 6.43 7.96 4.26 5.12 5.89
73-86 4.32 5.34 2.79 4.96 4.19 5.10 6.67 4.46 4.92 3.53 4.48 6.48 5.05 4.28 4.75 4.78 4.16 5.02
87-139 5.74 5.37 4.96 4.16 5.97 6.74 9.74 6.20 7.27 5.74 7.34 7.68 8.73 6.44 7.23 5.07 5.10 5.76
140-177 4.83 7.21 4.19 5.97 3.63 5.07 5.17 4.93 4.62 4.57 3.89 4.50 6.26 4.17 5.36 5.96 6.33 5.61
178-200 7.03 7.13 5.10 6.74 5.07 3.99 5.53 4.84 5.23 4.58 5.11 4.69 5.98 5.29 4.70 6.30 6.11 7.54
201-225 8.50 13.50 6.67 9.74 5.17 5.53 3.35 5.18 4.78 4.17 3.76 5.43 4.89 4.49 5.93 7.93 8.99 7.61
226-246 6.97 6.36 4.46 6.20 4.93 4.84 5.18 3.45 5.26 4.50 5.32 4.83 4.09 4.93 4.67 5.71 5.30 6.16
247-267 7.31 8.13 4.92 7.27 4.62 5.23 4.78 5.26 3.71 5.69 4.94 5.41 6.36 4.76 5.24 6.43 6.05 7.14
268-283 4.85 5.82 3.53 5.74 4.57 4.58 4.17 4.50 5.69 2.73 4.53 4.89 4.74 3.41 4.84 5.42 4.65 5.42
284-303 7.09 6.99 4.48 7.34 3.89 5.11 3.76 5.32 4.94 4.53 3.08 5.50 4.60 3.38 5.10 7.12 5.43 6.00
304-339 7.42 7.26 6.48 7.68 4.50 4.69 5.43 4.83 5.41 4.89 5.50 4.06 4.83 4.95 5.00 6.42 7.38 7.92
340-365 5.80 7.12 5.05 8.73 6.26 5.98 4.89 4.09 6.36 4.74 4.60 4.83 2.82 5.28 6.43 7.36 7.44 8.23
366-379 5.64 6.43 4.28 6.44 4.17 5.29 4.49 4.93 4.76 3.41 3.38 4.95 5.28 2.76 5.28 6.18 5.00 5.55
380-413 5.90 7.96 4.75 7.23 5.36 4.70 5.93 4.67 5.24 4.84 5.10 5.00 6.43 5.28 3.73 6.99 6.81 5.87
414-447 4.75 4.26 4.78 5.07 5.96 6.30 7.93 5.71 6.43 5.42 7.12 6.42 7.36 6.18 6.99 3.67 4.88 5.19
448-494 4.68 5.12 4.16 5.10 6.33 6.11 8.99 5.30 6.05 4.65 5.43 7.38 7.44 5.00 6.81 4.88 3.47 4.87
495-526 4.80 5.89 5.02 5.76 5.61 7.54 7.61 6.16 7.14 5.42 6.00 7.92 8.23 5.55 5.87 5.19 4.87 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_NTLS18_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_NTLS18_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_NTLS18_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_NTLS18_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_CHAINN_TLSN2_17_BoBc

Distribution Histogram of TLS Group 18-72
1KP8_CHAINN_TLSN18_72_BoBc

Distribution Histogram of TLS Group 73-86
1KP8_CHAINN_TLSN73_86_BoBc

Distribution Histogram of TLS Group 87-139
1KP8_CHAINN_TLSN87_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 340-365
1KP8_CHAINN_TLSN340_365_BoBc

Distribution Histogram of TLS Group 366-379
1KP8_CHAINN_TLSN366_379_BoBc

Distribution Histogram of TLS Group 380-413
1KP8_CHAINN_TLSN380_413_BoBc

Distribution Histogram of TLS Group 414-447
1KP8_CHAINN_TLSN414_447_BoBc

Distribution Histogram of TLS Group 448-494
1KP8_CHAINN_TLSN448_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