26 Mar 2010JobID: TLSMD7768_GeqMHSlETLSMD Version 1.4.1

1JG6: Chain A Partitioned by 20 TLS Groups


Back to Index    Back to Chain A Analysis

Analysis of TLS Group 20 Chain Segments (overall rmsd_b=1.97 and residual=0.22)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue1-2121158 21.3 5.641.00 2.03 14.5 6.94, 0.00, 1.12 21.30.74
green22-4322176 20.3 4.841.00 2.17 14.213.60, 0.00, 3.63 20.30.78
magenta44-6926208 23.5 5.671.00 2.46 18.1 5.01, 2.93, 0.00 23.50.74
red70-8314102 24.8 5.851.00 1.81 18.418.78, 0.00, 5.76 24.80.76
cyan84-10522198 20.8 5.721.00 2.36 14.2 0.09, 3.51, 5.90 20.80.74
yellow106-12823201 25.5 5.311.00 2.66 21.1 0.00, 0.00, 0.00 25.50.83
violet129-14820147 21.1 4.391.00 1.76 14.510.73, 0.00, 2.11 21.10.81
purpleblue149-16517153 22.8 6.731.00 2.23 14.1 0.00, 4.00, 10.06 22.80.70
salmon166-1761194 21.5 5.561.00 2.99 18.220.37, 0.00, 0.00 21.50.79
lime177-21438304 18.2 3.801.00 1.84 11.8 4.82, 1.56, 0.00 18.20.81
slate215-220651 28.1 7.751.00 2.65 25.527.83, 0.00, 0.00 28.10.71
bluegreen221-23717143 22.8 4.761.00 1.80 16.913.86, 0.68, 0.00 22.80.82
hotpink238-2491293 19.6 4.711.00 2.34 15.7 0.00, 33.73, 0.00 19.60.80
orange250-26920157 17.1 3.471.00 1.98 12.710.70, 1.94, 0.00 17.10.83
yellowgreen270-28415117 16.0 3.071.00 2.34 13.1 4.87, 0.00, 0.02 16.00.87
blueviolet285-29612102 21.2 4.921.00 1.71 13.1 1.58, 11.69, 7.13 21.20.76
marine297-30913117 17.0 2.561.00 2.26 16.2 5.26, 0.00, 0.00 17.00.92
olive310-318972 23.1 5.381.00 3.08 16.529.86, 3.54, 0.00 23.10.81
purple319-33618150 19.2 2.831.00 1.24 16.210.51, 2.32, 0.00 19.20.86
teal337-35115126 23.7 5.741.00 2.65 16.728.22, 0.00, 5.72 23.70.79


Mean BFactor Analysis
1JG6_CHAINA_NTLS20_BMEAN

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



RMSD B Values of Combined TLS Groups
1-2122-4344-6970-8384-105106-128129-148149-165166-176177-214215-220221-237238-249250-269270-284285-296297-309310-318319-336337-351
1-21 2.03 2.52 2.79 2.33 2.43 2.87 2.24 2.40 3.71 2.57 3.75 3.40 3.18 2.72 2.60 2.39 2.62 3.21 2.22 3.10
22-43 2.52 2.04 2.91 2.39 2.89 3.19 2.79 2.80 3.77 2.94 3.95 3.82 3.55 3.41 3.20 2.85 3.00 3.08 2.79 3.30
44-69 2.79 2.91 2.44 2.84 2.70 3.31 2.67 2.92 4.08 2.61 3.97 3.52 3.37 2.86 2.85 3.00 2.82 3.40 2.56 3.43
70-83 2.33 2.39 2.84 1.55 2.94 2.80 2.77 2.75 3.60 2.69 2.97 3.50 3.10 2.88 2.94 2.66 2.75 2.29 2.27 3.21
84-105 2.43 2.89 2.70 2.94 2.36 3.32 2.48 2.79 3.70 2.89 4.03 3.66 3.31 3.05 3.04 3.07 3.19 3.49 2.57 3.06
106-128 2.87 3.19 3.31 2.80 3.32 2.51 3.40 3.03 4.25 3.19 4.02 4.02 3.50 3.18 3.56 3.64 3.74 3.67 3.31 3.56
129-148 2.24 2.79 2.67 2.77 2.48 3.40 1.73 2.70 3.12 2.40 2.46 2.95 3.04 2.27 2.10 2.21 2.19 2.90 1.96 2.85
149-165 2.40 2.80 2.92 2.75 2.79 3.03 2.70 2.15 3.81 2.45 3.05 3.17 3.18 2.76 2.74 2.88 2.69 3.18 2.25 3.05
166-176 3.71 3.77 4.08 3.60 3.70 4.25 3.12 3.81 2.30 3.17 4.23 3.67 4.28 3.55 3.21 3.08 2.96 3.78 2.16 3.71
177-214 2.57 2.94 2.61 2.69 2.89 3.19 2.40 2.45 3.17 1.71 2.30 2.24 2.59 2.22 2.14 2.22 2.04 2.54 1.80 2.68
215-220 3.75 3.95 3.97 2.97 4.03 4.02 2.46 3.05 4.23 2.30 1.82 2.62 3.58 2.72 2.56 2.80 2.95 2.91 2.11 3.04
221-237 3.40 3.82 3.52 3.50 3.66 4.02 2.95 3.17 3.67 2.24 2.62 1.79 3.21 2.88 2.71 2.44 2.48 3.31 2.37 3.38
238-249 3.18 3.55 3.37 3.10 3.31 3.50 3.04 3.18 4.28 2.59 3.58 3.21 1.90 3.14 3.17 3.00 3.07 2.80 2.53 4.02
250-269 2.72 3.41 2.86 2.88 3.05 3.18 2.27 2.76 3.55 2.22 2.72 2.88 3.14 1.80 2.52 2.39 2.46 2.89 2.22 3.32
270-284 2.60 3.20 2.85 2.94 3.04 3.56 2.10 2.74 3.21 2.14 2.56 2.71 3.17 2.52 1.62 2.57 2.22 3.28 2.04 3.08
285-296 2.39 2.85 3.00 2.66 3.07 3.64 2.21 2.88 3.08 2.22 2.80 2.44 3.00 2.39 2.57 1.71 2.50 2.98 1.99 3.09
297-309 2.62 3.00 2.82 2.75 3.19 3.74 2.19 2.69 2.96 2.04 2.95 2.48 3.07 2.46 2.22 2.50 1.33 3.10 1.89 2.88
310-318 3.21 3.08 3.40 2.29 3.49 3.67 2.90 3.18 3.78 2.54 2.91 3.31 2.80 2.89 3.28 2.98 3.10 1.60 2.33 2.68
319-336 2.22 2.79 2.56 2.27 2.57 3.31 1.96 2.25 2.16 1.80 2.11 2.37 2.53 2.22 2.04 1.99 1.89 2.33 1.23 2.67
337-351 3.10 3.30 3.43 3.21 3.06 3.56 2.85 3.05 3.71 2.68 3.04 3.38 4.02 3.32 3.08 3.09 2.88 2.68 2.67 2.52

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
1JG6_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
1JG6_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
1JG6_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
1JG6_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 1-21
1JG6_CHAINA_TLSA1_21_BoBc

Distribution Histogram of TLS Group 22-43
1JG6_CHAINA_TLSA22_43_BoBc

Distribution Histogram of TLS Group 44-69
1JG6_CHAINA_TLSA44_69_BoBc

Distribution Histogram of TLS Group 70-83
1JG6_CHAINA_TLSA70_83_BoBc

Distribution Histogram of TLS Group 84-105
1JG6_CHAINA_TLSA84_105_BoBc

Distribution Histogram of TLS Group 106-128
1JG6_CHAINA_TLSA106_128_BoBc

Distribution Histogram of TLS Group 129-148
1JG6_CHAINA_TLSA129_148_BoBc

Distribution Histogram of TLS Group 149-165
1JG6_CHAINA_TLSA149_165_BoBc

Distribution Histogram of TLS Group 166-176
1JG6_CHAINA_TLSA166_176_BoBc

Distribution Histogram of TLS Group 177-214
1JG6_CHAINA_TLSA177_214_BoBc

Distribution Histogram of TLS Group 215-220
1JG6_CHAINA_TLSA215_220_BoBc

Distribution Histogram of TLS Group 221-237
1JG6_CHAINA_TLSA221_237_BoBc

Distribution Histogram of TLS Group 238-249
1JG6_CHAINA_TLSA238_249_BoBc

Distribution Histogram of TLS Group 250-269
1JG6_CHAINA_TLSA250_269_BoBc

Distribution Histogram of TLS Group 270-284
1JG6_CHAINA_TLSA270_284_BoBc

Distribution Histogram of TLS Group 285-296
1JG6_CHAINA_TLSA285_296_BoBc

Distribution Histogram of TLS Group 297-309
1JG6_CHAINA_TLSA297_309_BoBc

Distribution Histogram of TLS Group 310-318
1JG6_CHAINA_TLSA310_318_BoBc

Distribution Histogram of TLS Group 319-336
1JG6_CHAINA_TLSA319_336_BoBc

Distribution Histogram of TLS Group 337-351
1JG6_CHAINA_TLSA337_351_BoBc
26 Mar 2010JobID: TLSMD7768_GeqMHSlETLSMD Version 1.4.1 Released 11 February 2010