26 Mar 2010JobID: TLSMD7770_nGcUBtSaTLSMD Version 1.4.1

1HNF: Chain A Partitioned by 13 TLS Groups


Back to Index    Back to Chain A Analysis

Analysis of TLS Group 13 Chain Segments (overall rmsd_b=5.59 and residual=0.90)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue4-9644 44.924.521.00 5.93 16.856.22, 0.00, 20.41 44.90.50
green10-221399 27.213.501.00 4.63 12.226.94, 7.24, 0.00 27.20.59
magenta23-31972 67.516.731.00 5.60 28.4 0.00, 26.57, 32.97 67.50.73
red32-5120176 44.424.341.00 5.83 8.726.23, 13.14, 0.00 44.40.51
cyan52-58762 70.022.201.00 6.92 57.956.78, 0.00, 0.00 70.00.69
yellow59-7517143 37.414.621.00 7.08 25.925.14, 0.00, 11.03 37.40.66
violet76-9217140 30.813.471.00 6.49 12.133.80, 0.00, 8.22 30.80.62
purpleblue93-11624201 25.1 9.791.00 6.08 13.627.13, 0.75, 0.00 25.10.69
salmon117-13115110 27.411.621.00 6.32 15.140.82, 0.00, 2.01 27.40.66
lime132-14817142 31.713.501.00 6.59 9.5 0.00, 23.93, 16.13 31.70.63
slate149-1591188 28.311.801.00 5.43 6.126.03, 2.23, 0.00 28.30.66
bluegreen160-17617125 24.5 9.391.00 5.88 17.0 0.00, 54.00, 0.00 24.50.75
hotpink177-182645 44.525.881.00 5.63 14.087.99, 0.00, 14.67 44.50.47


Mean BFactor Analysis
1HNF_CHAINA_NTLS13_BMEAN

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



RMSD B Values of Combined TLS Groups
4-910-2223-3132-5152-5859-7576-9293-116117-131132-148149-159160-176177-182
4-9 5.51 7.11 7.81 6.47 8.59 7.36 7.85 7.37 8.18 8.17 8.13 7.81 9.12
10-22 7.11 4.52 6.16 7.24 7.63 6.71 6.54 6.39 6.74 7.35 6.11 5.92 7.54
23-31 7.81 6.16 4.55 6.83 8.85 7.23 7.58 7.09 6.60 7.72 6.62 6.10 8.59
32-51 6.47 7.24 6.83 5.81 8.12 7.32 7.90 8.44 9.05 7.90 7.72 8.90 7.05
52-58 8.59 7.63 8.85 8.12 5.96 9.01 9.34 8.04 8.91 8.85 8.48 7.74 7.81
59-75 7.36 6.71 7.23 7.32 9.01 6.29 7.71 6.85 6.80 7.67 7.29 6.81 9.20
76-92 7.85 6.54 7.58 7.90 9.34 7.71 5.88 7.12 7.27 7.82 6.89 7.20 7.75
93-116 7.37 6.39 7.09 8.44 8.04 6.85 7.12 6.08 7.08 6.95 6.50 6.55 10.32
117-131 8.18 6.74 6.60 9.05 8.91 6.80 7.27 7.08 5.93 7.52 6.68 6.31 9.58
132-148 8.17 7.35 7.72 7.90 8.85 7.67 7.82 6.95 7.52 5.48 7.18 7.79 6.74
149-159 8.13 6.11 6.62 7.72 8.48 7.29 6.89 6.50 6.68 7.18 5.11 6.88 7.70
160-176 7.81 5.92 6.10 8.90 7.74 6.81 7.20 6.55 6.31 7.79 6.88 4.70 7.41
177-182 9.12 7.54 8.59 7.05 7.81 9.20 7.75 10.32 9.58 6.74 7.70 7.41 5.55

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
1HNF_CHAINA_NTLS13_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
1HNF_CHAINA_NTLS13_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
1HNF_CHAINA_NTLS13_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
1HNF_CHAINA_NTLS13_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 4-9
1HNF_CHAINA_TLSA4_9_BoBc

Distribution Histogram of TLS Group 10-22
1HNF_CHAINA_TLSA10_22_BoBc

Distribution Histogram of TLS Group 23-31
1HNF_CHAINA_TLSA23_31_BoBc

Distribution Histogram of TLS Group 32-51
1HNF_CHAINA_TLSA32_51_BoBc

Distribution Histogram of TLS Group 52-58
1HNF_CHAINA_TLSA52_58_BoBc

Distribution Histogram of TLS Group 59-75
1HNF_CHAINA_TLSA59_75_BoBc

Distribution Histogram of TLS Group 76-92
1HNF_CHAINA_TLSA76_92_BoBc

Distribution Histogram of TLS Group 93-116
1HNF_CHAINA_TLSA93_116_BoBc

Distribution Histogram of TLS Group 117-131
1HNF_CHAINA_TLSA117_131_BoBc

Distribution Histogram of TLS Group 132-148
1HNF_CHAINA_TLSA132_148_BoBc

Distribution Histogram of TLS Group 149-159
1HNF_CHAINA_TLSA149_159_BoBc

Distribution Histogram of TLS Group 160-176
1HNF_CHAINA_TLSA160_176_BoBc

Distribution Histogram of TLS Group 177-182
1HNF_CHAINA_TLSA177_182_BoBc
26 Mar 2010JobID: TLSMD7770_nGcUBtSaTLSMD Version 1.4.1 Released 11 February 2010