26 Mar 2010JobID: TLSMD7774_BVFshZTnTLSMD Version 1.4.1

1CTS: Chain A Partitioned by 20 TLS Groups


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Analysis of TLS Group 20 Chain Segments (overall rmsd_b=4.75 and residual=1.56)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue4-3431231 30.6 5.761.00 5.02 28.6 1.57, 0.00, 0.00 30.60.89
green35-481498 23.9 6.551.00 5.62 21.6 0.00, 14.97, 0.00 23.90.85
magenta49-6214109 25.7 7.651.00 5.48 21.0 0.00, 18.58, 0.00 25.70.79
red63-11048364 25.4 6.221.00 4.88 20.5 0.00, 5.63, 4.17 25.40.84
cyan111-12313101 24.3 8.071.00 4.24 1.214.87, 0.00, 4.67 24.30.70
yellow124-14219148 20.9 6.251.00 5.98 19.6 6.18, 0.00, 0.00 20.90.91
violet143-19048378 22.2 7.351.00 5.35 13.5 3.65, 0.00, 0.00 22.20.76
purpleblue191-21525195 22.7 6.661.00 4.32 16.710.05, 0.37, 0.00 22.70.75
salmon216-224972 26.2 8.151.00 4.72 16.732.73, 0.00, 0.00 26.20.73
lime225-233978 21.4 7.141.00 5.64 17.7 0.00, 20.52, 0.00 21.40.78
slate234-26835249 19.2 5.751.00 4.67 17.8 1.62, 0.00, 0.02 19.20.82
bluegreen269-28618136 21.0 6.221.00 5.93 20.9 0.00, 0.00, 0.00 21.00.89
hotpink287-293754 29.2 8.561.00 4.05 20.442.22, 10.72, 0.00 29.20.73
orange294-31522167 29.5 6.121.00 4.39 26.215.65, 0.00, 0.00 29.50.84
yellowgreen316-35540328 24.4 7.021.00 5.45 20.1 5.39, 0.00, 0.00 24.40.80
blueviolet356-3691496 30.2 8.721.00 4.32 25.521.09, 0.00, 0.00 30.20.74
marine370-38819151 24.6 6.271.00 5.20 21.414.63, 0.39, 0.00 24.60.85
olive389-41527216 20.5 5.811.00 5.05 16.3 7.31, 1.11, 0.00 20.50.84
purple416-424972 23.8 8.711.00 7.02 20.139.84, 0.00, 0.00 23.80.77
teal425-4341069 27.8 5.571.00 4.98 27.8 0.00, 0.00, 0.00 27.80.89


Mean BFactor Analysis
1CTS_CHAINA_NTLS20_BMEAN

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



RMSD B Values of Combined TLS Groups
4-3435-4849-6263-110111-123124-142143-190191-215216-224225-233234-268269-286287-293294-315316-355356-369370-388389-415416-424425-434
4-34 4.63 5.32 5.54 5.13 5.29 5.49 5.37 4.94 5.45 5.50 4.92 5.48 5.34 5.04 5.74 5.48 5.37 5.09 6.00 5.24
35-48 5.32 4.38 6.33 5.16 5.58 6.08 5.42 5.21 5.44 5.81 5.08 5.74 5.05 5.01 5.76 5.50 5.87 5.42 7.05 5.48
49-62 5.54 6.33 5.35 5.47 5.73 6.11 5.72 5.42 6.53 6.02 5.18 6.02 5.44 5.50 5.97 5.86 6.03 5.55 6.73 6.17
63-110 5.13 5.16 5.47 4.85 5.41 5.48 5.21 4.92 5.36 5.28 5.09 5.45 5.24 5.02 5.36 5.34 5.39 5.23 5.74 5.18
111-123 5.29 5.58 5.73 5.41 4.15 6.03 5.58 4.57 5.42 5.68 5.11 5.56 5.02 4.75 5.79 5.40 5.83 5.26 6.05 5.80
124-142 5.49 6.08 6.11 5.48 6.03 5.90 5.87 5.45 6.54 6.20 5.35 6.04 6.56 5.63 5.59 5.84 5.72 5.47 6.50 5.69
143-190 5.37 5.42 5.72 5.21 5.58 5.87 5.28 5.37 5.70 5.54 5.29 5.78 5.61 5.42 5.55 5.58 5.62 5.37 5.98 5.73
191-215 4.94 5.21 5.42 4.92 4.57 5.45 5.37 4.26 5.40 5.34 5.00 5.73 5.47 5.14 5.25 5.05 5.43 5.07 5.69 5.53
216-224 5.45 5.44 6.53 5.36 5.42 6.54 5.70 5.40 4.38 6.06 5.55 6.51 5.77 5.55 5.81 6.16 5.90 5.57 6.03 6.23
225-233 5.50 5.81 6.02 5.28 5.68 6.20 5.54 5.34 6.06 3.80 5.48 5.94 5.71 5.09 5.76 6.00 5.91 5.49 6.82 6.26
234-268 4.92 5.08 5.18 5.09 5.11 5.35 5.29 5.00 5.55 5.48 4.54 5.19 5.15 4.89 5.55 5.06 5.23 5.08 5.63 5.13
269-286 5.48 5.74 6.02 5.45 5.56 6.04 5.78 5.73 6.51 5.94 5.19 4.65 5.79 5.60 5.85 5.34 5.87 5.54 6.64 5.84
287-293 5.34 5.05 5.44 5.24 5.02 6.56 5.61 5.47 5.77 5.71 5.15 5.79 4.05 5.31 5.85 4.67 5.69 5.20 7.27 5.52
294-315 5.04 5.01 5.50 5.02 4.75 5.63 5.42 5.14 5.55 5.09 4.89 5.60 5.31 4.20 5.67 5.06 5.32 5.31 5.76 4.77
316-355 5.74 5.76 5.97 5.36 5.79 5.59 5.55 5.25 5.81 5.76 5.55 5.85 5.85 5.67 5.28 5.97 5.56 5.53 5.95 5.70
356-369 5.48 5.50 5.86 5.34 5.40 5.84 5.58 5.05 6.16 6.00 5.06 5.34 4.67 5.06 5.97 3.42 5.51 5.46 6.66 4.72
370-388 5.37 5.87 6.03 5.39 5.83 5.72 5.62 5.43 5.90 5.91 5.23 5.87 5.69 5.32 5.56 5.51 4.51 5.47 6.14 5.49
389-415 5.09 5.42 5.55 5.23 5.26 5.47 5.37 5.07 5.57 5.49 5.08 5.54 5.20 5.31 5.53 5.46 5.47 4.73 6.08 5.16
416-424 6.00 7.05 6.73 5.74 6.05 6.50 5.98 5.69 6.03 6.82 5.63 6.64 7.27 5.76 5.95 6.66 6.14 6.08 4.81 6.33
425-434 5.24 5.48 6.17 5.18 5.80 5.69 5.73 5.53 6.23 6.26 5.13 5.84 5.52 4.77 5.70 4.72 5.49 5.16 6.33 4.10

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
1CTS_CHAINA_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
1CTS_CHAINA_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
1CTS_CHAINA_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
1CTS_CHAINA_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 4-34
1CTS_CHAINA_TLSA4_34_BoBc

Distribution Histogram of TLS Group 35-48
1CTS_CHAINA_TLSA35_48_BoBc

Distribution Histogram of TLS Group 49-62
1CTS_CHAINA_TLSA49_62_BoBc

Distribution Histogram of TLS Group 63-110
1CTS_CHAINA_TLSA63_110_BoBc

Distribution Histogram of TLS Group 111-123
1CTS_CHAINA_TLSA111_123_BoBc

Distribution Histogram of TLS Group 124-142
1CTS_CHAINA_TLSA124_142_BoBc

Distribution Histogram of TLS Group 143-190
1CTS_CHAINA_TLSA143_190_BoBc

Distribution Histogram of TLS Group 191-215
1CTS_CHAINA_TLSA191_215_BoBc

Distribution Histogram of TLS Group 216-224
1CTS_CHAINA_TLSA216_224_BoBc

Distribution Histogram of TLS Group 225-233
1CTS_CHAINA_TLSA225_233_BoBc

Distribution Histogram of TLS Group 234-268
1CTS_CHAINA_TLSA234_268_BoBc

Distribution Histogram of TLS Group 269-286
1CTS_CHAINA_TLSA269_286_BoBc

Distribution Histogram of TLS Group 287-293
1CTS_CHAINA_TLSA287_293_BoBc

Distribution Histogram of TLS Group 294-315
1CTS_CHAINA_TLSA294_315_BoBc

Distribution Histogram of TLS Group 316-355
1CTS_CHAINA_TLSA316_355_BoBc

Distribution Histogram of TLS Group 356-369
1CTS_CHAINA_TLSA356_369_BoBc

Distribution Histogram of TLS Group 370-388
1CTS_CHAINA_TLSA370_388_BoBc

Distribution Histogram of TLS Group 389-415
1CTS_CHAINA_TLSA389_415_BoBc

Distribution Histogram of TLS Group 416-424
1CTS_CHAINA_TLSA416_424_BoBc

Distribution Histogram of TLS Group 425-434
1CTS_CHAINA_TLSA425_434_BoBc
26 Mar 2010JobID: TLSMD7774_BVFshZTnTLSMD Version 1.4.1 Released 11 February 2010