26 Mar 2010JobID: TLSMD7770_nGcUBtSaTLSMD Version 1.4.1

1HNF: Chain A Partitioned by 18 TLS Groups


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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=4.87 and residual=0.68)
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
magenta23-29756 74.112.361.00 4.43 37.153.47, 10.62, 0.00 74.10.82
red30-4516134 34.313.931.00 4.98 15.7 0.00, 13.49, 19.31 34.30.62
cyan46-51658 67.823.881.00 5.52 63.034.84, 0.00, 0.00 67.80.64
yellow52-58762 70.022.201.00 6.92 57.956.78, 0.00, 0.00 70.00.69
violet59-63547 40.314.351.00 3.68 21.143.62, 12.71, 0.00 40.30.65
purpleblue64-751296 36.014.551.00 5.61 19.144.97, 11.05, 0.00 36.00.64
salmon76-80541 33.014.701.00 4.08 26.4 0.00, 62.30, 0.00 33.00.60
lime81-9818151 31.011.381.00 5.44 11.627.15, 0.00, 6.35 31.00.65
slate99-1081084 24.8 8.081.00 4.79 18.733.27, 0.00, 0.00 24.80.76
bluegreen109-1181080 21.211.131.00 9.01 15.0 0.00, 61.30, 0.00 21.20.74
hotpink119-13214103 26.510.591.00 5.54 19.2 0.00, 38.29, 0.00 26.50.68
orange133-1441299 30.7 9.881.00 5.09 19.3 0.00, 13.38, 40.98 30.70.72
yellowgreen145-152875 27.716.791.00 6.49 12.442.54, 2.28, 0.00 27.70.54
blueviolet153-160859 31.812.591.00 4.98 10.033.76, 0.00, 5.91 31.80.63
marine161-17616114 25.3 9.341.00 5.14 16.370.70, 0.00, 0.00 25.30.74
olive177-182645 44.525.881.00 5.63 14.087.99, 0.00, 14.67 44.50.47


Mean BFactor Analysis
1HNF_CHAINA_NTLS18_BMEAN

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



RMSD B Values of Combined TLS Groups
4-910-2223-2930-4546-5152-5859-6364-7576-8081-9899-108109-118119-132133-144145-152153-160161-176177-182
4-9 5.51 7.11 7.81 5.72 6.69 8.59 6.06 6.70 6.78 6.84 7.30 9.54 7.32 7.82 8.10 8.61 7.97 9.12
10-22 7.11 4.52 5.63 5.99 6.17 7.63 5.81 5.85 6.58 6.09 5.82 7.95 6.41 6.11 6.91 6.05 5.99 7.54
23-29 7.81 5.63 3.31 6.18 5.36 8.83 4.93 6.59 6.36 7.29 5.63 7.23 5.59 6.58 5.81 5.76 5.57 8.32
30-45 5.72 5.99 6.18 4.78 6.19 7.80 5.61 6.38 5.81 6.32 6.34 8.07 7.00 6.09 6.99 6.27 7.19 6.67
46-51 6.69 6.17 5.36 6.19 5.08 9.43 5.11 6.29 5.91 6.74 7.19 9.94 8.42 6.99 7.86 7.44 7.60 7.01
52-58 8.59 7.63 8.83 7.80 9.43 5.96 7.76 8.54 6.98 7.77 7.66 9.58 8.88 7.63 9.02 7.24 7.57 7.81
59-63 6.06 5.81 4.93 5.61 5.11 7.76 3.63 6.29 4.83 5.04 4.40 7.17 5.12 5.94 5.70 5.16 5.72 7.39
64-75 6.70 5.85 6.59 6.38 6.29 8.54 6.29 5.22 7.87 6.21 6.20 8.16 5.87 6.74 6.14 6.78 6.27 8.31
76-80 6.78 6.58 6.36 5.81 5.91 6.98 4.83 7.87 3.81 6.35 5.44 7.86 6.02 6.36 7.44 6.10 6.26 6.94
81-98 6.84 6.09 7.29 6.32 6.74 7.77 5.04 6.21 6.35 4.89 5.98 7.28 6.34 6.29 6.46 6.40 6.60 7.88
99-108 7.30 5.82 5.63 6.34 7.19 7.66 4.40 6.20 5.44 5.98 4.09 7.04 5.74 5.66 5.87 5.93 6.05 6.80
109-118 9.54 7.95 7.23 8.07 9.94 9.58 7.17 8.16 7.86 7.28 7.04 6.09 7.46 7.43 8.84 7.74 7.78 12.88
119-132 7.32 6.41 5.59 7.00 8.42 8.88 5.12 5.87 6.02 6.34 5.74 7.46 5.16 6.66 5.88 6.60 6.03 8.79
133-144 7.82 6.11 6.58 6.09 6.99 7.63 5.94 6.74 6.36 6.29 5.66 7.43 6.66 4.31 6.61 7.19 6.90 5.54
145-152 8.10 6.91 5.81 6.99 7.86 9.02 5.70 6.14 7.44 6.46 5.87 8.84 5.88 6.61 5.49 6.62 6.53 10.06
153-160 8.61 6.05 5.76 6.27 7.44 7.24 5.16 6.78 6.10 6.40 5.93 7.74 6.60 7.19 6.62 4.29 6.75 6.03
161-176 7.97 5.99 5.57 7.19 7.60 7.57 5.72 6.27 6.26 6.60 6.05 7.78 6.03 6.90 6.53 6.75 4.63 6.81
177-182 9.12 7.54 8.32 6.67 7.01 7.81 7.39 8.31 6.94 7.88 6.80 12.88 8.79 5.54 10.06 6.03 6.81 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_NTLS18_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_NTLS18_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_NTLS18_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_NTLS18_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 23-29
1HNF_CHAINA_TLSA23_29_BoBc

Distribution Histogram of TLS Group 30-45
1HNF_CHAINA_TLSA30_45_BoBc

Distribution Histogram of TLS Group 46-51
1HNF_CHAINA_TLSA46_51_BoBc

Distribution Histogram of TLS Group 52-58
1HNF_CHAINA_TLSA52_58_BoBc

Distribution Histogram of TLS Group 59-63
1HNF_CHAINA_TLSA59_63_BoBc

Distribution Histogram of TLS Group 64-75
1HNF_CHAINA_TLSA64_75_BoBc

Distribution Histogram of TLS Group 76-80
1HNF_CHAINA_TLSA76_80_BoBc

Distribution Histogram of TLS Group 81-98
1HNF_CHAINA_TLSA81_98_BoBc

Distribution Histogram of TLS Group 99-108
1HNF_CHAINA_TLSA99_108_BoBc

Distribution Histogram of TLS Group 109-118
1HNF_CHAINA_TLSA109_118_BoBc

Distribution Histogram of TLS Group 119-132
1HNF_CHAINA_TLSA119_132_BoBc

Distribution Histogram of TLS Group 133-144
1HNF_CHAINA_TLSA133_144_BoBc

Distribution Histogram of TLS Group 145-152
1HNF_CHAINA_TLSA145_152_BoBc

Distribution Histogram of TLS Group 153-160
1HNF_CHAINA_TLSA153_160_BoBc

Distribution Histogram of TLS Group 161-176
1HNF_CHAINA_TLSA161_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