30 Mar 2010JobID: TLSMD7780_IMKsrOzPTLSMD Version 1.4.1

1DV2: Chain A Partitioned by 18 TLS Groups


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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=20.83 and residual=31.33)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue1-1720153 31.231.841.0018.49 11.5 0.00, 9.07, 18.59 31.20.39
green18-4225191 25.325.121.0019.35 6.133.34, 0.00, 14.18 25.30.48
magenta43-9149353 23.720.731.0018.93 5.813.60, 6.04, 1.71 23.70.66
red92-10413109 35.831.601.0020.52 6.5 0.00, 43.30, 32.12 35.80.40
cyan105-12117124 32.726.861.0022.14 19.873.20, 0.00, 0.00 32.70.62
yellow122-130960 32.324.891.0015.91 11.1104.87, 0.00, 33.40 32.30.49
violet131-15020142 52.033.821.0024.14 -2.566.79, 27.05, 0.00 52.00.58
purpleblue151-17424168 52.630.671.0024.02 27.446.07, 0.00, 19.65 52.60.65
salmon175-19319139 58.531.591.0026.82 37.0136.32, 6.32, 0.00 58.50.75
lime194-20815130 42.728.091.0022.55 11.932.36, 4.51, 0.00 42.70.64
slate209-24739301 31.125.981.0018.54 10.835.45, 0.00, 4.49 31.10.50
bluegreen248-28942345 34.427.341.0021.86 11.833.91, 9.06, 0.00 34.40.60
hotpink290-31324192 19.518.241.0017.38 10.215.67, 0.00, 6.88 19.50.72
orange314-3261398 36.430.221.0019.41 8.2145.35, 9.91, 0.00 36.40.49
yellowgreen327-331544 48.335.151.0025.55 23.6 0.00, 288.98, 0.00 48.30.52
blueviolet332-40271557 28.624.321.0021.41 13.914.44, 4.66, 0.00 28.60.65
marine403-42422175 28.526.421.0022.20 14.028.37, 4.51, 0.00 28.50.60
olive425-44723188 49.833.331.0025.72 21.8 0.00, 24.22, 34.09 49.80.61


Mean BFactor Analysis
1DV2_CHAINA_NTLS18_BMEAN

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



RMSD B Values of Combined TLS Groups
1-1718-4243-9192-104105-121122-130131-150151-174175-193194-208209-247248-289290-313314-326327-331332-402403-424425-447
1-17 18.22 19.76 19.34 19.98 21.23 18.96 23.34 24.13 25.67 21.38 19.72 22.16 17.64 20.95 21.37 21.34 21.73 23.55
18-42 19.76 17.98 19.97 19.90 22.41 19.56 23.78 26.40 26.64 22.35 21.03 23.14 19.71 22.51 22.14 21.89 21.69 23.99
43-91 19.34 19.97 18.93 19.71 21.12 19.67 22.59 24.09 23.73 21.22 20.24 21.98 18.85 21.11 21.12 20.98 21.06 22.91
92-104 19.98 19.90 19.71 17.33 22.08 21.14 24.11 23.63 25.52 21.87 20.61 23.56 18.69 21.34 23.87 21.97 22.15 24.66
105-121 21.23 22.41 21.12 22.08 21.68 21.84 25.58 25.18 26.10 23.96 21.51 23.02 19.97 23.19 25.44 22.30 23.15 25.70
122-130 18.96 19.56 19.67 21.14 21.84 15.23 25.63 23.99 26.16 21.64 19.40 21.55 17.90 20.31 23.00 21.65 21.62 24.44
131-150 23.34 23.78 22.59 24.11 25.58 25.63 23.72 24.91 28.34 24.71 22.76 24.14 22.66 25.47 27.90 23.37 24.62 27.31
151-174 24.13 26.40 24.09 23.63 25.18 23.99 24.91 23.29 26.93 23.37 21.94 23.60 21.59 25.16 26.27 23.94 26.11 26.29
175-193 25.67 26.64 23.73 25.52 26.10 26.16 28.34 26.93 26.79 26.83 24.34 25.63 24.26 26.34 30.43 23.86 26.76 29.20
194-208 21.38 22.35 21.22 21.87 23.96 21.64 24.71 23.37 26.83 21.69 20.97 22.67 20.18 23.28 25.47 22.21 22.91 25.80
209-247 19.72 21.03 20.24 20.61 21.51 19.40 22.76 21.94 24.34 20.97 18.54 21.20 18.73 20.59 20.33 21.48 21.23 21.89
248-289 22.16 23.14 21.98 23.56 23.02 21.55 24.14 23.60 25.63 22.67 21.20 21.53 20.98 22.43 22.68 22.77 23.55 24.62
290-313 17.64 19.71 18.85 18.69 19.97 17.90 22.66 21.59 24.26 20.18 18.73 20.98 16.48 19.89 19.95 20.76 20.75 22.69
314-326 20.95 22.51 21.11 21.34 23.19 20.31 25.47 25.16 26.34 23.28 20.59 22.43 19.89 19.32 23.75 22.48 23.49 25.87
327-331 21.37 22.14 21.12 23.87 25.44 23.00 27.90 26.27 30.43 25.47 20.33 22.68 19.95 23.75 24.61 22.82 24.43 26.28
332-402 21.34 21.89 20.98 21.97 22.30 21.65 23.37 23.94 23.86 22.21 21.48 22.77 20.76 22.48 22.82 21.40 21.92 23.59
403-424 21.73 21.69 21.06 22.15 23.15 21.62 24.62 26.11 26.76 22.91 21.23 23.55 20.75 23.49 24.43 21.92 20.67 25.07
425-447 23.55 23.99 22.91 24.66 25.70 24.44 27.31 26.29 29.20 25.80 21.89 24.62 22.69 25.87 26.28 23.59 25.07 25.46

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
1DV2_CHAINA_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
1DV2_CHAINA_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
1DV2_CHAINA_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
1DV2_CHAINA_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 1-17
1DV2_CHAINA_TLSA1_17_BoBc

Distribution Histogram of TLS Group 18-42
1DV2_CHAINA_TLSA18_42_BoBc

Distribution Histogram of TLS Group 43-91
1DV2_CHAINA_TLSA43_91_BoBc

Distribution Histogram of TLS Group 92-104
1DV2_CHAINA_TLSA92_104_BoBc

Distribution Histogram of TLS Group 105-121
1DV2_CHAINA_TLSA105_121_BoBc

Distribution Histogram of TLS Group 122-130
1DV2_CHAINA_TLSA122_130_BoBc

Distribution Histogram of TLS Group 131-150
1DV2_CHAINA_TLSA131_150_BoBc

Distribution Histogram of TLS Group 151-174
1DV2_CHAINA_TLSA151_174_BoBc

Distribution Histogram of TLS Group 175-193
1DV2_CHAINA_TLSA175_193_BoBc

Distribution Histogram of TLS Group 194-208
1DV2_CHAINA_TLSA194_208_BoBc

Distribution Histogram of TLS Group 209-247
1DV2_CHAINA_TLSA209_247_BoBc

Distribution Histogram of TLS Group 248-289
1DV2_CHAINA_TLSA248_289_BoBc

Distribution Histogram of TLS Group 290-313
1DV2_CHAINA_TLSA290_313_BoBc

Distribution Histogram of TLS Group 314-326
1DV2_CHAINA_TLSA314_326_BoBc

Distribution Histogram of TLS Group 327-331
1DV2_CHAINA_TLSA327_331_BoBc

Distribution Histogram of TLS Group 332-402
1DV2_CHAINA_TLSA332_402_BoBc

Distribution Histogram of TLS Group 403-424
1DV2_CHAINA_TLSA403_424_BoBc

Distribution Histogram of TLS Group 425-447
1DV2_CHAINA_TLSA425_447_BoBc
30 Mar 2010JobID: TLSMD7780_IMKsrOzPTLSMD Version 1.4.1 Released 11 February 2010