30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1

1KP8: Chain M Partitioned by 17 TLS Groups


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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=3.19 and residual=0.86)
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
green18-6750375 42.811.501.00 5.00 33.0 9.62, 2.17, 0.00 42.80.76
magenta68-9932216 43.510.731.00 3.61 41.4 0.00, 5.50, 0.00 43.50.75
red100-12829205 42.7 7.441.00 3.82 32.320.19, 2.65, 0.00 42.70.84
cyan129-15224167 77.010.571.00 3.24 61.316.73, 3.23, 0.00 77.00.84
yellow153-17927197 98.7 6.741.00 3.58 86.1 8.49, 0.00, 1.37 98.70.93
violet180-20122169115.5 7.191.00 2.02 99.3 5.40, 0.00, 0.93115.50.93
purpleblue202-22726207137.1 3.611.00 1.70130.0 2.66, 1.29, 0.00137.10.97
salmon228-27346339150.6 7.661.00 3.89149.7 0.00, 1.94, 0.00150.60.94
lime274-29926184119.9 5.931.00 2.22113.9 8.93, 3.60, 0.00119.90.95
slate300-35657433137.012.911.00 3.52130.9 0.00, 4.44, 0.00137.00.88
bluegreen357-38832238118.412.041.00 2.77100.9 3.08, 0.52, 0.00118.40.91
hotpink389-41325188 81.021.671.00 3.05 75.3 0.00, 14.09, 0.00 81.00.73
orange414-44835250 45.7 7.891.00 4.39 36.621.80, 0.00, 2.91 45.70.85
yellowgreen449-48234243 45.3 8.121.00 3.70 30.7 0.00, 4.49, 9.38 45.30.83
blueviolet483-51432238 47.7 8.151.00 3.11 6.7 6.70, 0.00, 0.57 47.70.82
marine515-5261291 48.417.981.00 3.50 28.919.21, 6.50, 0.00 48.40.65


Mean BFactor Analysis
1KP8_CHAINM_NTLS17_BMEAN

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



RMSD B Values of Combined TLS Groups
2-1718-6768-99100-128129-152153-179180-201202-227228-273274-299300-356357-388389-413414-448449-482483-514515-526
2-17 2.90 5.06 4.57 5.28 5.05 5.34 8.12 8.43 8.07 6.08 6.09 6.53 5.41 4.93 4.65 4.52 4.58
18-67 5.06 4.03 4.91 5.14 6.10 7.43 7.94 13.44 11.19 7.76 7.79 7.41 6.98 4.60 4.93 4.87 5.01
68-99 4.57 4.91 3.31 4.44 4.45 4.93 6.12 9.60 9.31 5.69 6.71 5.71 4.29 4.93 4.15 3.96 5.93
100-128 5.28 5.14 4.44 3.44 4.84 5.66 6.95 7.68 7.67 7.19 6.57 7.36 4.22 4.86 5.12 4.46 5.37
129-152 5.05 6.10 4.45 4.84 3.24 4.82 4.46 5.54 5.08 4.32 4.59 5.02 5.47 5.77 5.50 5.24 4.74
153-179 5.34 7.43 4.93 5.66 4.82 3.46 4.95 7.39 7.16 5.01 6.67 5.05 5.12 6.60 6.93 6.15 5.26
180-201 8.12 7.94 6.12 6.95 4.46 4.95 1.91 4.90 5.55 3.17 5.02 4.38 4.96 6.73 7.07 6.29 8.26
202-227 8.43 13.44 9.60 7.68 5.54 7.39 4.90 1.70 3.94 4.00 4.49 4.72 6.55 7.94 9.56 7.51 8.37
228-273 8.07 11.19 9.31 7.67 5.08 7.16 5.55 3.94 2.93 4.96 4.62 4.59 5.36 7.59 9.47 8.00 8.60
274-299 6.08 7.76 5.69 7.19 4.32 5.01 3.17 4.00 4.96 1.95 4.75 4.12 5.03 6.31 7.26 6.40 7.38
300-356 6.09 7.79 6.71 6.57 4.59 6.67 5.02 4.49 4.62 4.75 3.47 5.64 5.52 6.56 7.78 7.27 6.71
357-388 6.53 7.41 5.71 7.36 5.02 5.05 4.38 4.72 4.59 4.12 5.64 2.66 6.58 7.41 7.10 7.18 8.07
389-413 5.41 6.98 4.29 4.22 5.47 5.12 4.96 6.55 5.36 5.03 5.52 6.58 2.99 5.97 6.15 4.72 5.45
414-448 4.93 4.60 4.93 4.86 5.77 6.60 6.73 7.94 7.59 6.31 6.56 7.41 5.97 3.87 4.90 4.49 5.03
449-482 4.65 4.93 4.15 5.12 5.50 6.93 7.07 9.56 9.47 7.26 7.78 7.10 6.15 4.90 3.52 4.44 4.37
483-514 4.52 4.87 3.96 4.46 5.24 6.15 6.29 7.51 8.00 6.40 7.27 7.18 4.72 4.49 4.44 2.86 4.61
515-526 4.58 5.01 5.93 5.37 4.74 5.26 8.26 8.37 8.60 7.38 6.71 8.07 5.45 5.03 4.37 4.61 3.39

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_NTLS17_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_NTLS17_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_NTLS17_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_NTLS17_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 18-67
1KP8_CHAINM_TLSM18_67_BoBc

Distribution Histogram of TLS Group 68-99
1KP8_CHAINM_TLSM68_99_BoBc

Distribution Histogram of TLS Group 100-128
1KP8_CHAINM_TLSM100_128_BoBc

Distribution Histogram of TLS Group 129-152
1KP8_CHAINM_TLSM129_152_BoBc

Distribution Histogram of TLS Group 153-179
1KP8_CHAINM_TLSM153_179_BoBc

Distribution Histogram of TLS Group 180-201
1KP8_CHAINM_TLSM180_201_BoBc

Distribution Histogram of TLS Group 202-227
1KP8_CHAINM_TLSM202_227_BoBc

Distribution Histogram of TLS Group 228-273
1KP8_CHAINM_TLSM228_273_BoBc

Distribution Histogram of TLS Group 274-299
1KP8_CHAINM_TLSM274_299_BoBc

Distribution Histogram of TLS Group 300-356
1KP8_CHAINM_TLSM300_356_BoBc

Distribution Histogram of TLS Group 357-388
1KP8_CHAINM_TLSM357_388_BoBc

Distribution Histogram of TLS Group 389-413
1KP8_CHAINM_TLSM389_413_BoBc

Distribution Histogram of TLS Group 414-448
1KP8_CHAINM_TLSM414_448_BoBc

Distribution Histogram of TLS Group 449-482
1KP8_CHAINM_TLSM449_482_BoBc

Distribution Histogram of TLS Group 483-514
1KP8_CHAINM_TLSM483_514_BoBc

Distribution Histogram of TLS Group 515-526
1KP8_CHAINM_TLSM515_526_BoBc
30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1 Released 11 February 2010