30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1

1KP8: Chain M Partitioned by 14 TLS Groups


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Analysis of TLS Group 14 Chain Segments (overall rmsd_b=3.58 and residual=1.08)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.4 6.741.00 4.72 39.1 0.00, 18.06, 0.00 43.40.88
green18-7255409 42.211.221.00 5.02 32.5 9.94, 1.57, 0.00 42.20.77
magenta73-12856387 43.8 9.361.00 4.71 34.1 0.00, 5.01, 7.30 43.80.81
red129-15224167 77.010.571.00 3.24 61.316.73, 3.23, 0.00 77.00.84
cyan153-18331220101.1 9.601.00 3.50 82.4 8.15, 0.00, 0.83101.10.91
yellow184-21835279124.612.071.00 3.58101.2 3.25, 0.00, 0.00124.60.89
violet219-27254406148.8 8.201.00 3.75147.8 1.85, 0.00, 0.00148.80.94
purpleblue273-30331221123.0 8.941.00 2.83116.2 8.39, 3.39, 0.00123.00.92
salmon304-36057436137.012.911.00 3.44131.0 3.73, 0.02, 0.00137.00.88
lime361-38828205115.4 9.831.00 2.85101.7 3.30, 0.62, 0.00115.40.92
slate389-41325188 81.021.671.00 3.05 75.3 0.00, 14.09, 0.00 81.00.73
bluegreen414-45037262 45.2 8.031.00 4.46 35.619.20, 0.00, 2.39 45.20.84
hotpink451-49444325 48.4 8.541.00 4.19 35.1 0.00, 7.47, 7.99 48.40.83
orange495-52632235 45.012.241.00 4.63 36.2 0.00, 18.87, 0.00 45.00.78


Mean BFactor Analysis
1KP8_CHAINM_NTLS14_BMEAN

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



RMSD B Values of Combined TLS Groups
2-1718-7273-128129-152153-183184-218219-272273-303304-360361-388389-413414-450451-494495-526
2-17 2.90 5.00 5.09 5.05 5.39 7.95 7.84 6.82 6.05 6.60 5.41 4.86 5.24 5.05
18-72 5.00 4.10 5.30 6.17 7.45 12.66 11.29 8.41 8.40 7.65 6.94 4.67 5.40 6.03
73-128 5.09 5.30 4.34 5.22 6.15 10.06 9.78 7.94 9.00 6.95 5.20 4.81 4.87 5.71
129-152 5.05 6.17 5.22 3.24 4.84 5.17 5.04 4.27 4.64 5.05 5.47 5.99 5.73 5.33
153-183 5.39 7.45 6.15 4.84 3.46 6.98 6.83 4.98 6.72 5.06 5.12 6.96 8.17 6.89
184-218 7.95 12.66 10.06 5.17 6.98 3.07 4.90 3.76 5.48 7.32 7.14 7.59 8.98 8.96
219-272 7.84 11.29 9.78 5.04 6.83 4.90 3.29 4.84 4.48 4.55 5.44 7.50 9.38 8.89
273-303 6.82 8.41 7.94 4.27 4.98 3.76 4.84 2.73 4.89 4.10 4.93 6.35 7.48 7.56
304-360 6.05 8.40 9.00 4.64 6.72 5.48 4.48 4.89 3.27 5.69 5.60 6.68 8.34 8.11
361-388 6.60 7.65 6.95 5.05 5.06 7.32 4.55 4.10 5.69 2.68 6.38 7.30 6.88 7.78
389-413 5.41 6.94 5.20 5.47 5.12 7.14 5.44 4.93 5.60 6.38 2.99 6.16 6.00 5.13
414-450 4.86 4.67 4.81 5.99 6.96 7.59 7.50 6.35 6.68 7.30 6.16 3.83 5.15 5.57
451-494 5.24 5.40 4.87 5.73 8.17 8.98 9.38 7.48 8.34 6.88 6.00 5.15 3.89 5.51
495-526 5.05 6.03 5.71 5.33 6.89 8.96 8.89 7.56 8.11 7.78 5.13 5.57 5.51 4.34

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_CHAINM_NTLS14_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_CHAINM_NTLS14_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_CHAINM_NTLS14_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_CHAINM_NTLS14_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_CHAINM_TLSM2_17_BoBc

Distribution Histogram of TLS Group 18-72
1KP8_CHAINM_TLSM18_72_BoBc

Distribution Histogram of TLS Group 73-128
1KP8_CHAINM_TLSM73_128_BoBc

Distribution Histogram of TLS Group 129-152
1KP8_CHAINM_TLSM129_152_BoBc

Distribution Histogram of TLS Group 153-183
1KP8_CHAINM_TLSM153_183_BoBc

Distribution Histogram of TLS Group 184-218
1KP8_CHAINM_TLSM184_218_BoBc

Distribution Histogram of TLS Group 219-272
1KP8_CHAINM_TLSM219_272_BoBc

Distribution Histogram of TLS Group 273-303
1KP8_CHAINM_TLSM273_303_BoBc

Distribution Histogram of TLS Group 304-360
1KP8_CHAINM_TLSM304_360_BoBc

Distribution Histogram of TLS Group 361-388
1KP8_CHAINM_TLSM361_388_BoBc

Distribution Histogram of TLS Group 389-413
1KP8_CHAINM_TLSM389_413_BoBc

Distribution Histogram of TLS Group 414-450
1KP8_CHAINM_TLSM414_450_BoBc

Distribution Histogram of TLS Group 451-494
1KP8_CHAINM_TLSM451_494_BoBc

Distribution Histogram of TLS Group 495-526
1KP8_CHAINM_TLSM495_526_BoBc
30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1 Released 11 February 2010