26 Mar 2010JobID: TLSMD7776_QyMEqzgETLSMD Version 1.4.1

2GBP: Chain A Partitioned by 10 TLS Groups


Back to Index    Back to Chain A Analysis

Analysis of TLS Group 10 Chain Segments (overall rmsd_b=4.32 and residual=0.93)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue1-121298 22.017.891.00 4.50 8.222.24, 0.00, 6.98 22.00.37
green13-3523177 18.3 9.201.00 4.05 4.923.82, 2.27, 0.00 18.30.55
magenta36-10267510 17.0 8.021.00 4.34 5.4 0.10, 6.96, 8.69 17.00.62
red103-12927207 14.0 7.841.00 3.77 6.723.23, 0.00, 2.10 14.00.60
cyan130-18657453 14.9 7.751.00 4.65 3.6 0.00, 5.44, 7.17 14.90.62
yellow187-20822169 16.8 9.901.00 6.49 5.617.13, 2.27, 0.00 16.80.56
violet209-23527190 14.6 9.871.00 5.10 4.217.65, 8.66, 0.00 14.60.48
purpleblue236-27439275 16.3 7.961.00 4.17 6.727.08, 0.00, 1.96 16.30.63
salmon275-30430225 22.711.081.00 5.24 8.814.21, 0.00, 3.04 22.70.60
lime305-309544 51.3 7.981.00 5.25 48.4 0.00, 17.55, 0.00 51.30.86


Mean BFactor Analysis
2GBP_CHAINA_NTLS10_BMEAN

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



RMSD B Values of Combined TLS Groups
1-1213-3536-102103-129130-186187-208209-235236-274275-304305-309
1-12 3.88 5.76 4.96 5.28 5.64 7.17 5.79 5.66 5.87 5.28
13-35 5.76 3.80 4.87 4.47 4.85 5.89 5.25 5.32 5.23 4.93
36-102 4.96 4.87 4.34 4.66 5.05 5.75 5.05 5.07 5.10 4.72
103-129 5.28 4.47 4.66 3.69 5.13 5.82 4.47 4.55 4.57 5.42
130-186 5.64 4.85 5.05 5.13 4.58 5.79 4.95 5.33 5.47 5.20
187-208 7.17 5.89 5.75 5.82 5.79 5.14 5.95 6.28 6.65 7.04
209-235 5.79 5.25 5.05 4.47 4.95 5.95 4.07 5.33 5.56 6.05
236-274 5.66 5.32 5.07 4.55 5.33 6.28 5.33 4.08 5.24 6.03
275-304 5.87 5.23 5.10 4.57 5.47 6.65 5.56 5.24 4.66 7.40
305-309 5.28 4.93 4.72 5.42 5.20 7.04 6.05 6.03 7.40 4.58

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
2GBP_CHAINA_NTLS10_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
2GBP_CHAINA_NTLS10_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
2GBP_CHAINA_NTLS10_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
2GBP_CHAINA_NTLS10_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 1-12
2GBP_CHAINA_TLSA1_12_BoBc

Distribution Histogram of TLS Group 13-35
2GBP_CHAINA_TLSA13_35_BoBc

Distribution Histogram of TLS Group 36-102
2GBP_CHAINA_TLSA36_102_BoBc

Distribution Histogram of TLS Group 103-129
2GBP_CHAINA_TLSA103_129_BoBc

Distribution Histogram of TLS Group 130-186
2GBP_CHAINA_TLSA130_186_BoBc

Distribution Histogram of TLS Group 187-208
2GBP_CHAINA_TLSA187_208_BoBc

Distribution Histogram of TLS Group 209-235
2GBP_CHAINA_TLSA209_235_BoBc

Distribution Histogram of TLS Group 236-274
2GBP_CHAINA_TLSA236_274_BoBc

Distribution Histogram of TLS Group 275-304
2GBP_CHAINA_TLSA275_304_BoBc

Distribution Histogram of TLS Group 305-309
2GBP_CHAINA_TLSA305_309_BoBc
26 Mar 2010JobID: TLSMD7776_QyMEqzgETLSMD Version 1.4.1 Released 11 February 2010