30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1

1KP8: Chain K Partitioned by 20 TLS Groups


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Analysis of TLS Group 20 Chain Segments (overall rmsd_b=2.58 and residual=0.56)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1817126 45.1 6.901.00 4.62 41.416.62, 0.00, 0.00 45.10.88
green19-4830212 41.912.501.00 3.08 33.1 0.00, 7.02, 4.20 41.90.73
magenta49-7426201 45.4 7.621.00 3.60 37.122.03, 3.08, 0.00 45.40.85
red75-9016106 56.8 7.861.00 3.29 55.5 5.91, 0.00, 0.00 56.80.84
cyan91-12636254 41.4 7.281.00 4.02 32.6 9.72, 3.27, 0.00 41.40.84
yellow127-1381286 61.4 7.111.00 2.14 47.334.48, 2.20, 0.00 61.40.88
violet139-1501282 82.6 6.251.00 2.26 47.019.82, 1.49, 0.00 82.60.92
purpleblue151-17929208 96.2 6.351.00 3.26 87.8 9.37, 2.50, 0.00 96.20.94
salmon180-20122169118.3 5.541.00 1.78112.7 5.03, 0.79, 0.00118.30.95
lime202-22625199140.9 2.151.00 1.40139.2 0.00, 3.14, 0.00140.90.99
slate227-27246340151.9 5.101.00 2.72151.3 1.32, 0.00, 0.00151.90.96
bluegreen273-29523169132.3 4.021.00 0.99130.1 0.00, 5.62, 0.00132.30.97
hotpink296-35661455137.6 7.201.00 2.25133.8 2.35, 0.25, 0.00137.60.94
orange357-37721161128.312.421.00 2.14128.3 0.00, 0.01, 0.00128.30.90
yellowgreen378-40023174105.611.211.00 3.14103.9 0.00, 6.93, 0.00105.60.89
blueviolet401-42222149 57.816.301.00 2.96 41.313.44, 3.80, 0.00 57.80.74
marine423-44422159 48.6 8.441.00 2.87 37.713.77, 8.31, 0.00 48.60.84
olive445-48238276 45.9 8.551.00 3.48 28.210.22, 4.10, 0.00 45.90.82
purple483-51634253 47.2 7.321.00 2.98 33.0 6.72, 1.97, 0.00 47.20.84
teal517-5261076 52.816.811.00 2.13 33.1 0.00, 14.14, 17.88 52.80.68


Mean BFactor Analysis
1KP8_CHAINK_NTLS20_BMEAN

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



RMSD B Values of Combined TLS Groups
2-1819-4849-7475-9091-126127-138139-150151-179180-201202-226227-272273-295296-356357-377378-400401-422423-444445-482483-516517-526
2-18 3.65 4.35 4.56 4.86 4.56 4.55 4.65 5.24 8.77 8.89 7.91 7.11 6.25 7.00 5.73 4.44 4.28 4.68 4.38 4.10
19-48 4.35 2.43 3.85 3.25 3.39 2.94 4.55 6.53 6.48 10.72 8.04 6.53 6.13 5.59 7.41 3.96 3.36 4.29 3.82 3.66
49-74 4.56 3.85 2.99 4.93 4.54 3.99 5.01 6.64 8.13 12.42 8.28 7.95 7.90 7.33 7.43 5.18 4.08 4.81 4.70 3.60
75-90 4.86 3.25 4.93 2.67 4.16 3.63 3.75 5.04 6.10 7.74 5.39 5.92 6.11 5.30 5.23 3.94 3.68 3.95 4.07 4.83
91-126 4.56 3.39 4.54 4.16 3.11 3.69 3.86 6.23 7.86 10.65 8.41 8.31 9.13 7.96 7.29 4.46 3.80 5.03 3.98 4.48
127-138 4.55 2.94 3.99 3.63 3.69 2.05 3.78 5.42 5.79 5.94 5.09 5.79 4.87 6.21 4.56 3.91 4.33 3.96 3.77 3.21
139-150 4.65 4.55 5.01 3.75 3.86 3.78 2.17 4.82 4.99 6.38 4.83 5.05 4.25 4.98 4.31 4.44 3.90 4.93 4.56 3.04
151-179 5.24 6.53 6.64 5.04 6.23 5.42 4.82 3.25 5.50 8.20 7.19 6.14 7.34 6.03 4.05 7.11 4.81 7.60 6.41 4.22
180-201 8.77 6.48 8.13 6.10 7.86 5.79 4.99 5.50 1.74 4.76 4.43 3.98 4.34 3.64 4.21 6.30 5.28 7.50 6.75 7.08
202-226 8.89 10.72 12.42 7.74 10.65 5.94 6.38 8.20 4.76 1.36 3.06 2.09 3.04 3.90 6.67 7.10 6.64 11.02 8.51 6.93
227-272 7.91 8.04 8.28 5.39 8.41 5.09 4.83 7.19 4.43 3.06 2.05 3.13 3.42 3.36 4.67 5.69 6.08 10.24 8.27 7.39
273-295 7.11 6.53 7.95 5.92 8.31 5.79 5.05 6.14 3.98 2.09 3.13 0.94 2.87 2.74 5.52 6.25 5.24 8.07 7.61 7.38
296-356 6.25 6.13 7.90 6.11 9.13 4.87 4.25 7.34 4.34 3.04 3.42 2.87 2.17 4.35 5.17 6.41 5.16 9.78 8.88 6.17
357-377 7.00 5.59 7.33 5.30 7.96 6.21 4.98 6.03 3.64 3.90 3.36 2.74 4.35 1.83 5.23 7.35 5.74 7.68 7.85 8.07
378-400 5.73 7.41 7.43 5.23 7.29 4.56 4.31 4.05 4.21 6.67 4.67 5.52 5.17 5.23 2.63 6.12 4.79 8.33 5.70 4.54
401-422 4.44 3.96 5.18 3.94 4.46 3.91 4.44 7.11 6.30 7.10 5.69 6.25 6.41 7.35 6.12 2.87 4.37 4.10 3.63 4.01
423-444 4.28 3.36 4.08 3.68 3.80 4.33 3.90 4.81 5.28 6.64 6.08 5.24 5.16 5.74 4.79 4.37 2.86 5.35 4.01 3.61
445-482 4.68 4.29 4.81 3.95 5.03 3.96 4.93 7.60 7.50 11.02 10.24 8.07 9.78 7.68 8.33 4.10 5.35 3.47 4.61 3.87
483-516 4.38 3.82 4.70 4.07 3.98 3.77 4.56 6.41 6.75 8.51 8.27 7.61 8.88 7.85 5.70 3.63 4.01 4.61 2.82 4.03
517-526 4.10 3.66 3.60 4.83 4.48 3.21 3.04 4.22 7.08 6.93 7.39 7.38 6.17 8.07 4.54 4.01 3.61 3.87 4.03 2.09

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_CHAINK_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_CHAINK_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_CHAINK_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_CHAINK_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 2-18
1KP8_CHAINK_TLSK2_18_BoBc

Distribution Histogram of TLS Group 19-48
1KP8_CHAINK_TLSK19_48_BoBc

Distribution Histogram of TLS Group 49-74
1KP8_CHAINK_TLSK49_74_BoBc

Distribution Histogram of TLS Group 75-90
1KP8_CHAINK_TLSK75_90_BoBc

Distribution Histogram of TLS Group 91-126
1KP8_CHAINK_TLSK91_126_BoBc

Distribution Histogram of TLS Group 127-138
1KP8_CHAINK_TLSK127_138_BoBc

Distribution Histogram of TLS Group 139-150
1KP8_CHAINK_TLSK139_150_BoBc

Distribution Histogram of TLS Group 151-179
1KP8_CHAINK_TLSK151_179_BoBc

Distribution Histogram of TLS Group 180-201
1KP8_CHAINK_TLSK180_201_BoBc

Distribution Histogram of TLS Group 202-226
1KP8_CHAINK_TLSK202_226_BoBc

Distribution Histogram of TLS Group 227-272
1KP8_CHAINK_TLSK227_272_BoBc

Distribution Histogram of TLS Group 273-295
1KP8_CHAINK_TLSK273_295_BoBc

Distribution Histogram of TLS Group 296-356
1KP8_CHAINK_TLSK296_356_BoBc

Distribution Histogram of TLS Group 357-377
1KP8_CHAINK_TLSK357_377_BoBc

Distribution Histogram of TLS Group 378-400
1KP8_CHAINK_TLSK378_400_BoBc

Distribution Histogram of TLS Group 401-422
1KP8_CHAINK_TLSK401_422_BoBc

Distribution Histogram of TLS Group 423-444
1KP8_CHAINK_TLSK423_444_BoBc

Distribution Histogram of TLS Group 445-482
1KP8_CHAINK_TLSK445_482_BoBc

Distribution Histogram of TLS Group 483-516
1KP8_CHAINK_TLSK483_516_BoBc

Distribution Histogram of TLS Group 517-526
1KP8_CHAINK_TLSK517_526_BoBc
30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1 Released 11 February 2010