26 Mar 2010JobID: TLSMD7779_PGZeKVnRTLSMD Version 1.4.1

1VJU: Chain A Partitioned by 20 TLS Groups


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Analysis of TLS Group 20 Chain Segments (overall rmsd_b=2.56 and residual=0.31)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue8-201396 20.5 8.831.00 2.47 12.237.61, 0.00, 5.36 20.50.64
green21-3616121 16.7 5.531.00 2.55 11.033.35, 1.39, 0.00 16.70.74
magenta37-5519134 23.0 7.061.00 3.09 12.943.07, 4.94, 0.00 23.00.74
red56-691498 17.3 5.811.00 3.04 10.119.43, 0.00, 1.57 17.30.71
cyan70-76758 17.9 5.541.00 3.39 14.0 0.00, 54.96, 0.00 17.90.76
yellow77-971069 24.3 9.181.00 3.74 16.0 0.00, 56.85, 0.00 24.30.69
violet98-11619139 11.4 3.191.00 2.64 8.815.50, 0.89, 0.00 11.40.84
purpleblue117-13014115 25.012.651.00 2.94 7.649.79, 8.06, 0.00 25.00.55
salmon131-14717144 13.4 4.121.00 1.76 10.0 6.89, 0.64, 0.00 13.40.72
lime148-16316131 17.2 9.081.00 3.40 10.337.89, 0.00, 4.35 17.20.57
slate164-18825218 14.9 5.121.00 3.23 10.318.85, 1.13, 0.00 14.90.75
bluegreen189-20517143 16.4 6.211.00 3.07 7.923.77, 1.43, 0.00 16.40.68
hotpink206-22722174 13.8 2.961.00 1.65 11.413.62, 0.78, 0.00 13.80.82
orange228-235872 16.9 5.901.00 2.69 5.924.26, 2.35, 0.00 16.90.71
yellowgreen236-240543 19.611.361.00 2.56 10.669.12, 13.96, 0.00 19.60.53
blueviolet241-25717153 12.4 3.341.00 2.59 9.2 9.44, 0.00, 2.19 12.40.82
marine258-2671063 27.2 9.391.00 2.61 16.637.78, 0.00, 9.63 27.20.71
olive268-28518146 15.4 6.911.00 3.42 4.917.38, 0.00, 1.80 15.40.65
purple286-291654 21.210.131.00 5.91 13.9 0.00, 0.00, 0.00 21.20.66
teal292-30918156 17.2 6.921.00 2.78 9.916.40, 0.00, 5.15 17.20.67


Mean BFactor Analysis
1VJU_CHAINA_NTLS20_BMEAN

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



RMSD B Values of Combined TLS Groups
8-2021-3637-5556-6970-7677-9798-116117-130131-147148-163164-188189-205206-227228-235236-240241-257258-267268-285286-291292-309
8-20 2.00 2.99 4.37 3.87 4.74 4.70 3.38 4.68 3.71 4.40 3.75 4.23 3.03 3.37 4.23 3.32 3.39 4.41 5.90 3.17
21-36 2.99 2.24 3.50 3.30 3.64 4.60 3.10 4.11 2.74 4.48 4.09 3.88 2.53 3.48 4.42 3.42 3.71 4.42 5.63 3.53
37-55 4.37 3.50 2.96 3.60 3.74 4.87 3.86 3.77 3.57 5.27 4.32 4.35 3.28 4.07 4.24 3.97 4.41 4.13 6.02 4.02
56-69 3.87 3.30 3.60 2.88 4.47 4.29 3.15 4.44 2.92 4.68 3.88 4.04 2.76 3.48 3.97 3.35 3.66 3.48 5.84 3.51
70-76 4.74 3.64 3.74 4.47 2.53 4.01 3.76 4.29 3.38 5.12 4.19 4.53 2.97 4.36 5.58 3.64 5.06 4.88 6.42 3.84
77-97 4.70 4.60 4.87 4.29 4.01 3.23 4.11 4.83 4.11 5.74 4.71 4.73 3.88 4.76 5.13 4.37 5.01 5.98 6.94 4.74
98-116 3.38 3.10 3.86 3.15 3.76 4.11 2.64 4.50 2.24 4.16 3.60 3.36 2.29 3.06 4.29 2.75 3.34 4.02 5.12 3.25
117-130 4.68 4.11 3.77 4.44 4.29 4.83 4.50 2.91 4.88 5.77 4.71 5.18 4.43 5.21 5.95 4.77 5.36 5.70 7.20 4.78
131-147 3.71 2.74 3.57 2.92 3.38 4.11 2.24 4.88 1.42 3.85 3.35 2.55 1.86 2.88 4.29 2.39 2.77 3.95 4.87 2.82
148-163 4.40 4.48 5.27 4.68 5.12 5.74 4.16 5.77 3.85 3.24 4.26 3.94 3.56 4.39 5.40 3.86 4.72 5.10 6.22 3.33
164-188 3.75 4.09 4.32 3.88 4.19 4.71 3.60 4.71 3.35 4.26 2.96 3.70 3.39 4.42 4.61 3.44 4.09 4.19 5.17 4.03
189-205 4.23 3.88 4.35 4.04 4.53 4.73 3.36 5.18 2.55 3.94 3.70 2.70 3.10 3.89 4.85 3.26 3.72 4.70 5.01 3.15
206-227 3.03 2.53 3.28 2.76 2.97 3.88 2.29 4.43 1.86 3.56 3.39 3.10 1.62 2.77 4.21 2.42 3.10 3.90 4.38 2.85
228-235 3.37 3.48 4.07 3.48 4.36 4.76 3.06 5.21 2.88 4.39 4.42 3.89 2.77 2.66 3.84 2.99 3.55 2.85 5.07 3.71
236-240 4.23 4.42 4.24 3.97 5.58 5.13 4.29 5.95 4.29 5.40 4.61 4.85 4.21 3.84 1.98 3.98 4.03 3.17 3.83 3.85
241-257 3.32 3.42 3.97 3.35 3.64 4.37 2.75 4.77 2.39 3.86 3.44 3.26 2.42 2.99 3.98 2.30 3.82 3.66 4.56 3.21
258-267 3.39 3.71 4.41 3.66 5.06 5.01 3.34 5.36 2.77 4.72 4.09 3.72 3.10 3.55 4.03 3.82 2.48 3.92 5.21 3.53
268-285 4.41 4.42 4.13 3.48 4.88 5.98 4.02 5.70 3.95 5.10 4.19 4.70 3.90 2.85 3.17 3.66 3.92 2.39 4.53 3.54
286-291 5.90 5.63 6.02 5.84 6.42 6.94 5.12 7.20 4.87 6.22 5.17 5.01 4.38 5.07 3.83 4.56 5.21 4.53 2.24 5.18
292-309 3.17 3.53 4.02 3.51 3.84 4.74 3.25 4.78 2.82 3.33 4.03 3.15 2.85 3.71 3.85 3.21 3.53 3.54 5.18 2.76

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
1VJU_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
1VJU_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
1VJU_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
1VJU_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 8-20
1VJU_CHAINA_TLSA8_20_BoBc

Distribution Histogram of TLS Group 21-36
1VJU_CHAINA_TLSA21_36_BoBc

Distribution Histogram of TLS Group 37-55
1VJU_CHAINA_TLSA37_55_BoBc

Distribution Histogram of TLS Group 56-69
1VJU_CHAINA_TLSA56_69_BoBc

Distribution Histogram of TLS Group 70-76
1VJU_CHAINA_TLSA70_76_BoBc

Distribution Histogram of TLS Group 77-97
1VJU_CHAINA_TLSA77_97_BoBc

Distribution Histogram of TLS Group 98-116
1VJU_CHAINA_TLSA98_116_BoBc

Distribution Histogram of TLS Group 117-130
1VJU_CHAINA_TLSA117_130_BoBc

Distribution Histogram of TLS Group 131-147
1VJU_CHAINA_TLSA131_147_BoBc

Distribution Histogram of TLS Group 148-163
1VJU_CHAINA_TLSA148_163_BoBc

Distribution Histogram of TLS Group 164-188
1VJU_CHAINA_TLSA164_188_BoBc

Distribution Histogram of TLS Group 189-205
1VJU_CHAINA_TLSA189_205_BoBc

Distribution Histogram of TLS Group 206-227
1VJU_CHAINA_TLSA206_227_BoBc

Distribution Histogram of TLS Group 228-235
1VJU_CHAINA_TLSA228_235_BoBc

Distribution Histogram of TLS Group 236-240
1VJU_CHAINA_TLSA236_240_BoBc

Distribution Histogram of TLS Group 241-257
1VJU_CHAINA_TLSA241_257_BoBc

Distribution Histogram of TLS Group 258-267
1VJU_CHAINA_TLSA258_267_BoBc

Distribution Histogram of TLS Group 268-285
1VJU_CHAINA_TLSA268_285_BoBc

Distribution Histogram of TLS Group 286-291
1VJU_CHAINA_TLSA286_291_BoBc

Distribution Histogram of TLS Group 292-309
1VJU_CHAINA_TLSA292_309_BoBc
26 Mar 2010JobID: TLSMD7779_PGZeKVnRTLSMD Version 1.4.1 Released 11 February 2010