26 Mar 2010JobID: TLSMD7767_ubOwTrFFTLSMD Version 1.4.1

1DV7: Chain A Partitioned by 20 TLS Groups


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Analysis of TLS Group 20 Chain Segments (overall rmsd_b=1.62 and residual=0.09)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-9863 24.9 4.671.00 1.83 22.616.82, 0.00, 0.00 24.90.81
green10-18971 18.7 6.001.00 1.55 10.0 0.00, 10.69, 5.80 18.70.71
magenta19-3517136 20.3 3.701.00 1.62 15.0 0.00, 7.78, 9.19 20.30.83
red36-43868 17.8 6.811.00 2.24 6.916.06, 0.00, 3.29 17.80.66
cyan44-6017133 14.6 3.011.00 1.93 10.8 9.47, 1.38, 0.00 14.60.82
yellow61-7717136 14.4 5.841.00 1.70 8.912.22, 0.00, 1.82 14.40.68
violet78-871079 15.8 6.961.00 1.93 11.9 0.00, 32.26, 0.00 15.80.61
purpleblue88-991284 12.6 3.841.00 1.54 10.018.07, 0.00, 0.37 12.60.75
salmon100-106748 14.6 5.991.00 2.28 8.933.58, 8.02, 0.00 14.60.67
lime107-11913100 15.1 5.211.00 1.73 8.831.82, 0.00, 4.38 15.10.71
slate120-13516126 16.0 5.171.00 3.03 13.1 0.00, 15.85, 0.00 16.00.73
bluegreen136-1461176 17.8 7.441.00 1.85 10.127.85, 0.00, 7.44 17.80.65
hotpink147-155970 14.3 4.811.00 1.72 7.236.20, 4.83, 0.00 14.30.69
orange156-161642 39.2 6.801.00 2.52 39.2 0.00, 0.00, 0.00 39.20.81
yellowgreen162-169873 22.9 7.031.00 2.68 7.227.54, 0.00, 1.34 22.90.72
blueviolet170-1791076 16.8 5.441.00 1.41 11.217.00, 0.00, 3.73 16.80.68
marine180-194646 32.4 5.831.00 1.58 30.8 0.00, 7.22, 0.00 32.40.80
olive195-2041073 21.1 6.791.00 1.36 17.3 0.00, 20.58, 0.00 21.10.72
purple205-2161281 29.3 4.231.00 1.11 27.6 0.00, 12.28, 0.00 29.30.84
teal217-222643 38.8 5.011.00 1.34 19.525.80, 4.39, 0.00 38.80.85


Mean BFactor Analysis
1DV7_CHAINA_NTLS20_BMEAN

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



RMSD B Values of Combined TLS Groups
2-910-1819-3536-4344-6061-7778-8788-99100-106107-119120-135136-146147-155156-161162-169170-179180-194195-204205-216217-222
2-9 1.52 2.79 2.09 2.53 2.06 2.47 2.53 2.19 2.22 3.48 3.27 2.69 3.02 2.20 3.08 2.28 2.26 2.15 1.86 2.84
10-18 2.79 1.55 2.21 2.01 2.33 1.79 2.51 1.91 2.74 3.16 2.92 2.92 2.40 3.22 3.24 1.79 2.59 1.97 2.21 3.42
19-35 2.09 2.21 1.55 2.24 2.58 2.67 3.04 2.38 2.49 2.70 3.20 3.68 2.46 3.16 3.27 1.76 2.29 2.21 1.94 2.18
36-43 2.53 2.01 2.24 2.08 2.35 2.16 2.96 2.27 2.94 3.33 2.91 3.01 2.82 3.47 3.51 2.37 2.68 2.46 2.08 2.88
44-60 2.06 2.33 2.58 2.35 1.90 2.60 2.66 2.09 3.08 2.58 2.77 3.35 2.68 3.13 3.64 2.09 2.23 2.76 1.88 2.25
61-77 2.47 1.79 2.67 2.16 2.60 1.57 2.59 1.86 3.01 2.44 2.73 2.87 2.70 3.52 3.85 2.25 2.52 2.73 1.62 2.34
78-87 2.53 2.51 3.04 2.96 2.66 2.59 1.84 2.32 2.74 2.59 3.28 2.96 3.01 3.90 4.28 2.42 2.70 3.28 3.16 3.26
88-99 2.19 1.91 2.38 2.27 2.09 1.86 2.32 1.48 2.92 2.45 2.47 2.95 2.40 3.49 4.19 2.06 2.23 2.61 1.81 2.44
100-106 2.22 2.74 2.49 2.94 3.08 3.01 2.74 2.92 2.24 2.19 3.49 2.54 3.27 3.34 3.84 2.60 2.67 2.94 2.84 3.12
107-119 3.48 3.16 2.70 3.33 2.58 2.44 2.59 2.45 2.19 1.47 3.14 3.39 3.77 3.72 4.22 3.61 3.69 3.56 2.68 3.42
120-135 3.27 2.92 3.20 2.91 2.77 2.73 3.28 2.47 3.49 3.14 2.00 3.87 3.16 4.45 4.43 3.42 3.14 4.08 2.63 2.83
136-146 2.69 2.92 3.68 3.01 3.35 2.87 2.96 2.95 2.54 3.39 3.87 1.81 2.73 3.43 4.07 2.91 2.56 3.91 3.46 3.24
147-155 3.02 2.40 2.46 2.82 2.68 2.70 3.01 2.40 3.27 3.77 3.16 2.73 1.35 3.38 3.46 2.45 2.47 2.36 2.65 3.16
156-161 2.20 3.22 3.16 3.47 3.13 3.52 3.90 3.49 3.34 3.72 4.45 3.43 3.38 0.96 3.32 3.13 1.80 2.75 2.49 2.51
162-169 3.08 3.24 3.27 3.51 3.64 3.85 4.28 4.19 3.84 4.22 4.43 4.07 3.46 3.32 2.10 3.11 3.00 2.82 3.06 3.32
170-179 2.28 1.79 1.76 2.37 2.09 2.25 2.42 2.06 2.60 3.61 3.42 2.91 2.45 3.13 3.11 1.04 1.99 1.91 1.85 2.57
180-194 2.26 2.59 2.29 2.68 2.23 2.52 2.70 2.23 2.67 3.69 3.14 2.56 2.47 1.80 3.00 1.99 1.50 2.55 2.27 2.54
195-204 2.15 1.97 2.21 2.46 2.76 2.73 3.28 2.61 2.94 3.56 4.08 3.91 2.36 2.75 2.82 1.91 2.55 0.99 2.34 2.68
205-216 1.86 2.21 1.94 2.08 1.88 1.62 3.16 1.81 2.84 2.68 2.63 3.46 2.65 2.49 3.06 1.85 2.27 2.34 1.07 1.94
217-222 2.84 3.42 2.18 2.88 2.25 2.34 3.26 2.44 3.12 3.42 2.83 3.24 3.16 2.51 3.32 2.57 2.54 2.68 1.94 1.15

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
1DV7_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
1DV7_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
1DV7_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
1DV7_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 2-9
1DV7_CHAINA_TLSA2_9_BoBc

Distribution Histogram of TLS Group 10-18
1DV7_CHAINA_TLSA10_18_BoBc

Distribution Histogram of TLS Group 19-35
1DV7_CHAINA_TLSA19_35_BoBc

Distribution Histogram of TLS Group 36-43
1DV7_CHAINA_TLSA36_43_BoBc

Distribution Histogram of TLS Group 44-60
1DV7_CHAINA_TLSA44_60_BoBc

Distribution Histogram of TLS Group 61-77
1DV7_CHAINA_TLSA61_77_BoBc

Distribution Histogram of TLS Group 78-87
1DV7_CHAINA_TLSA78_87_BoBc

Distribution Histogram of TLS Group 88-99
1DV7_CHAINA_TLSA88_99_BoBc

Distribution Histogram of TLS Group 100-106
1DV7_CHAINA_TLSA100_106_BoBc

Distribution Histogram of TLS Group 107-119
1DV7_CHAINA_TLSA107_119_BoBc

Distribution Histogram of TLS Group 120-135
1DV7_CHAINA_TLSA120_135_BoBc

Distribution Histogram of TLS Group 136-146
1DV7_CHAINA_TLSA136_146_BoBc

Distribution Histogram of TLS Group 147-155
1DV7_CHAINA_TLSA147_155_BoBc

Distribution Histogram of TLS Group 156-161
1DV7_CHAINA_TLSA156_161_BoBc

Distribution Histogram of TLS Group 162-169
1DV7_CHAINA_TLSA162_169_BoBc

Distribution Histogram of TLS Group 170-179
1DV7_CHAINA_TLSA170_179_BoBc

Distribution Histogram of TLS Group 180-194
1DV7_CHAINA_TLSA180_194_BoBc

Distribution Histogram of TLS Group 195-204
1DV7_CHAINA_TLSA195_204_BoBc

Distribution Histogram of TLS Group 205-216
1DV7_CHAINA_TLSA205_216_BoBc

Distribution Histogram of TLS Group 217-222
1DV7_CHAINA_TLSA217_222_BoBc
26 Mar 2010JobID: TLSMD7767_ubOwTrFFTLSMD Version 1.4.1 Released 11 February 2010