26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1

1DVJ: Chain C Partitioned by 18 TLS Groups


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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=1.48 and residual=0.08)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue9-14650 21.1 4.821.00 2.03 16.421.15, 0.00, 8.58 21.10.78
green15-23969 18.2 4.631.00 1.15 13.919.70, 0.00, 3.81 18.20.76
magenta24-3714117 28.0 5.411.00 1.85 21.925.47, 2.71, 0.00 28.00.81
red38-5922169 18.2 3.661.00 1.43 13.4 6.97, 0.00, 1.93 18.20.79
cyan60-7718147 18.4 6.171.00 1.49 11.8 8.58, 0.00, 2.31 18.40.68
yellow78-9316121 18.7 6.171.00 1.94 13.426.30, 0.00, 3.84 18.70.69
violet94-10613101 14.6 1.311.00 1.05 14.3 0.00, 1.06, 0.00 14.60.93
purpleblue107-11913100 22.2 6.531.00 1.90 14.427.92, 0.00, 6.53 22.20.72
salmon120-1301185 16.3 2.241.00 1.30 14.514.61, 0.28, 0.00 16.30.88
lime131-136650 19.4 5.101.00 1.36 14.6 0.00, 27.55, 14.37 19.40.77
slate137-1501494 18.0 3.671.00 1.35 14.327.43, 3.77, 0.00 18.00.81
bluegreen151-1601078 17.0 4.171.00 1.56 11.918.14, 0.00, 4.36 17.00.76
hotpink161-169980 22.3 6.081.00 1.96 18.228.76, 0.00, 0.00 22.30.75
orange170-18920144 20.5 5.291.00 1.77 14.210.40, 1.66, 0.00 20.50.75
yellowgreen190-20516120 18.8 4.691.00 1.61 16.3 0.00, 15.65, 0.00 18.80.74
blueviolet206-2181385 26.4 5.411.00 0.92 24.0 0.00, 11.77, 0.00 26.40.76
marine219-2291188 30.9 4.931.00 1.74 27.723.71, 0.00, 0.00 30.90.84
olive230-24415108 25.5 6.791.00 1.96 17.319.19, 0.70, 4.93 25.50.73


Mean BFactor Analysis
1DVJ_CHAINC_NTLS18_BMEAN

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



RMSD B Values of Combined TLS Groups
9-1415-2324-3738-5960-7778-9394-106107-119120-130131-136137-150151-160161-169170-189190-205206-218219-229230-244
9-14 1.57 1.99 2.24 2.08 2.25 2.74 2.15 3.64 2.50 2.47 2.73 2.36 2.89 2.36 2.03 2.07 2.88 2.49
15-23 1.99 1.12 2.02 1.67 1.94 2.48 1.52 2.97 1.75 1.84 2.07 1.85 2.66 2.09 2.02 1.38 1.79 2.16
24-37 2.24 2.02 1.85 2.37 2.73 2.73 2.57 3.14 2.64 2.04 2.59 2.52 2.92 2.66 2.50 2.13 2.91 2.40
38-59 2.08 1.67 2.37 1.40 2.00 2.37 1.55 2.70 1.61 1.84 1.87 1.86 2.40 2.01 2.13 1.60 2.31 2.98
60-77 2.25 1.94 2.73 2.00 1.46 2.13 1.67 2.43 1.77 2.06 2.31 1.88 2.78 2.46 2.60 1.77 2.62 3.22
78-93 2.74 2.48 2.73 2.37 2.13 1.54 2.44 2.72 2.78 2.66 2.75 2.63 3.12 2.51 2.44 2.49 2.86 2.68
94-106 2.15 1.52 2.57 1.55 1.67 2.44 0.98 2.48 1.37 2.10 1.97 1.68 2.47 2.02 1.85 1.74 1.96 3.11
107-119 3.64 2.97 3.14 2.70 2.43 2.72 2.48 1.89 2.69 2.66 3.04 2.94 3.54 3.04 3.17 2.63 3.36 3.35
120-130 2.50 1.75 2.64 1.61 1.77 2.78 1.37 2.69 1.23 2.40 2.11 2.12 2.34 2.26 2.12 1.70 2.07 2.99
131-136 2.47 1.84 2.04 1.84 2.06 2.66 2.10 2.66 2.40 1.20 2.13 2.39 2.73 2.26 1.84 1.75 2.14 2.62
137-150 2.73 2.07 2.59 1.87 2.31 2.75 1.97 3.04 2.11 2.13 1.18 2.19 2.35 2.31 2.39 2.01 2.39 3.14
151-160 2.36 1.85 2.52 1.86 1.88 2.63 1.68 2.94 2.12 2.39 2.19 1.48 2.77 2.06 2.15 1.63 2.49 2.74
161-169 2.89 2.66 2.92 2.40 2.78 3.12 2.47 3.54 2.34 2.73 2.35 2.77 1.43 2.67 2.69 2.62 2.48 2.90
170-189 2.36 2.09 2.66 2.01 2.46 2.51 2.02 3.04 2.26 2.26 2.31 2.06 2.67 1.69 2.12 2.18 2.37 2.72
190-205 2.03 2.02 2.50 2.13 2.60 2.44 1.85 3.17 2.12 1.84 2.39 2.15 2.69 2.12 1.49 1.88 2.05 2.58
206-218 2.07 1.38 2.13 1.60 1.77 2.49 1.74 2.63 1.70 1.75 2.01 1.63 2.62 2.18 1.88 0.86 2.73 2.18
219-229 2.88 1.79 2.91 2.31 2.62 2.86 1.96 3.36 2.07 2.14 2.39 2.49 2.48 2.37 2.05 2.73 1.37 2.53
230-244 2.49 2.16 2.40 2.98 3.22 2.68 3.11 3.35 2.99 2.62 3.14 2.74 2.90 2.72 2.58 2.18 2.53 1.96

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
1DVJ_CHAINC_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
1DVJ_CHAINC_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
1DVJ_CHAINC_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
1DVJ_CHAINC_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 9-14
1DVJ_CHAINC_TLSC9_14_BoBc

Distribution Histogram of TLS Group 15-23
1DVJ_CHAINC_TLSC15_23_BoBc

Distribution Histogram of TLS Group 24-37
1DVJ_CHAINC_TLSC24_37_BoBc

Distribution Histogram of TLS Group 38-59
1DVJ_CHAINC_TLSC38_59_BoBc

Distribution Histogram of TLS Group 60-77
1DVJ_CHAINC_TLSC60_77_BoBc

Distribution Histogram of TLS Group 78-93
1DVJ_CHAINC_TLSC78_93_BoBc

Distribution Histogram of TLS Group 94-106
1DVJ_CHAINC_TLSC94_106_BoBc

Distribution Histogram of TLS Group 107-119
1DVJ_CHAINC_TLSC107_119_BoBc

Distribution Histogram of TLS Group 120-130
1DVJ_CHAINC_TLSC120_130_BoBc

Distribution Histogram of TLS Group 131-136
1DVJ_CHAINC_TLSC131_136_BoBc

Distribution Histogram of TLS Group 137-150
1DVJ_CHAINC_TLSC137_150_BoBc

Distribution Histogram of TLS Group 151-160
1DVJ_CHAINC_TLSC151_160_BoBc

Distribution Histogram of TLS Group 161-169
1DVJ_CHAINC_TLSC161_169_BoBc

Distribution Histogram of TLS Group 170-189
1DVJ_CHAINC_TLSC170_189_BoBc

Distribution Histogram of TLS Group 190-205
1DVJ_CHAINC_TLSC190_205_BoBc

Distribution Histogram of TLS Group 206-218
1DVJ_CHAINC_TLSC206_218_BoBc

Distribution Histogram of TLS Group 219-229
1DVJ_CHAINC_TLSC219_229_BoBc

Distribution Histogram of TLS Group 230-244
1DVJ_CHAINC_TLSC230_244_BoBc
26 Mar 2010JobID: TLSMD7766_HvlAdtJqTLSMD Version 1.4.1 Released 11 February 2010