26 Mar 2010JobID: TLSMD7778_dGusjLfPTLSMD Version 1.4.1

1LUG: Chain A TLS Analysis


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Chain A Optimization Residual
1LUG_CHAINA_RESID

TLSMD selects the optimal partition of a chain into 1 to 20 TLS groups by minimizing an overall residual function. This plot shows the value of the residual as a function of the number of TLS groups allowed in the partition. Adding additional TLS groups will always make this residual lower, but there is an issue of diminishing returns as you go to larger numbers of groups. The individual TLS segments are analyzed below.

TLS Partition Segment Alignment of Chain A

# of TLS
Groups
Segment/Sequence Alignment

Sequence Alignment Plot

This plot shows the location along the protein sequence of the optimal TLS group segments, and how those segments align with the optimal TLS group segments as the number of TLS groups used increases.


Summary of Optimal TLS Group Partition using 1 Groups
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structimageClick on image for expanded view
1LUG_CHAINA_NTLS1_BMEAN
Analysis of TLS Group 1 Chain Segments (overall rmsd_b=5.91 and residual=1.45)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-2602592120 12.6 8.070.41 5.57 7.5, 5.7, 4.7 1.11, 1.31, 1.51 12.60.37


Summary of Optimal TLS Group Partition using 2 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView    Group description for PHENIX    Generate PDBIN/TLSIN Files for REFMAC5/PHENIX
structimageClick on image for expanded view
1LUG_CHAINA_NTLS2_BMEAN
Analysis of TLS Group 2 Chain Segments (overall rmsd_b=5.63 and residual=1.32)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-8079657 15.3 9.320.35 6.41 9.1, 6.7, 1.7 2.29, 1.46, 1.23 15.30.32
green81-2601801463 11.4 7.110.44 4.81 7.0, 5.3, 4.4 0.98, 1.23, 1.55 11.40.40


Summary of Optimal TLS Group Partition using 3 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
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structimageClick on image for expanded view
1LUG_CHAINA_NTLS3_BMEAN
Analysis of TLS Group 3 Chain Segments (overall rmsd_b=5.38 and residual=1.20)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-7372598 14.5 8.060.35 5.60 9.0, 6.4, 1.9 2.28, 1.34, 1.14 14.50.33
green74-80759 23.915.100.34 7.01 24.9, 2.1, 12.542.96, 0.00, 4.98 23.90.26
magenta81-2601801463 11.4 7.110.44 4.81 7.0, 5.3, 4.4 0.98, 1.23, 1.55 11.40.40


Summary of Optimal TLS Group Partition using 4 Groups
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structimageClick on image for expanded view
1LUG_CHAINA_NTLS4_BMEAN
Analysis of TLS Group 4 Chain Segments (overall rmsd_b=5.16 and residual=1.11)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-2827232 15.4 8.830.32 4.32 10.9, 4.2, 5.1 7.35, 3.81, 2.60 15.40.33
green29-7345366 13.9 7.460.37 4.56 -3.4, 8.5, 6.9 0.79, 2.02, 3.88 13.90.32
magenta74-80759 23.915.100.34 7.01 24.9, 2.1, 12.542.96, 0.00, 4.98 23.90.26
red81-2601801463 11.4 7.110.44 4.81 7.0, 5.3, 4.4 0.98, 1.23, 1.55 11.40.40


Summary of Optimal TLS Group Partition using 5 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView    Group description for PHENIX    Generate PDBIN/TLSIN Files for REFMAC5/PHENIX
structimageClick on image for expanded view
1LUG_CHAINA_NTLS5_BMEAN
Analysis of TLS Group 5 Chain Segments (overall rmsd_b=4.97 and residual=1.03)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-2827232 15.4 8.830.32 4.32 10.9, 4.2, 5.1 7.35, 3.81, 2.60 15.40.33
green29-7345366 13.9 7.460.37 4.56 -3.4, 8.5, 6.9 0.79, 2.02, 3.88 13.90.32
magenta74-80759 23.915.100.34 7.01 24.9, 2.1, 12.542.96, 0.00, 4.98 23.90.26
red81-2551751413 11.1 6.590.44 4.55 7.0, 5.4, 5.0 1.45, 0.88, 1.09 11.10.43
cyan256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 6 Groups
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structimageClick on image for expanded view
1LUG_CHAINA_NTLS6_BMEAN
Analysis of TLS Group 6 Chain Segments (overall rmsd_b=4.83 and residual=0.97)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-2827232 15.4 8.830.32 4.32 10.9, 4.2, 5.1 7.35, 3.81, 2.60 15.40.33
green29-7345366 13.9 7.460.37 4.56 -3.4, 8.5, 6.9 0.79, 2.02, 3.88 13.90.32
magenta74-80759 23.915.100.34 7.01 24.9, 2.1, 12.542.96, 0.00, 4.98 23.90.26
red81-16383655 10.0 5.530.47 3.97 4.5, 4.9, 6.4 0.78, 1.96, 1.29 10.00.46
cyan164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
yellow175-26086729 11.8 7.210.43 4.59 2.8, 5.5, 7.6 0.93, 1.46, 1.59 11.80.37


Summary of Optimal TLS Group Partition using 7 Groups
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Download TLSOUT File for TLSView    Group description for PHENIX    Generate PDBIN/TLSIN Files for REFMAC5/PHENIX
structimageClick on image for expanded view
1LUG_CHAINA_NTLS7_BMEAN
Analysis of TLS Group 7 Chain Segments (overall rmsd_b=4.65 and residual=0.90)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-2827232 15.4 8.830.32 4.32 10.9, 4.2, 5.1 7.35, 3.81, 2.60 15.40.33
green29-7345366 13.9 7.460.37 4.56 -3.4, 8.5, 6.9 0.79, 2.02, 3.88 13.90.32
magenta74-80759 23.915.100.34 7.01 24.9, 2.1, 12.542.96, 0.00, 4.98 23.90.26
red81-16383655 10.0 5.530.47 3.97 4.5, 4.9, 6.4 0.78, 1.96, 1.29 10.00.46
cyan164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
yellow175-25581679 11.2 6.130.44 3.95 7.5, 5.6, 4.4 1.39, 0.86, 1.08 11.20.43
violet256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 8 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView    Group description for PHENIX    Generate PDBIN/TLSIN Files for REFMAC5/PHENIX
structimageClick on image for expanded view
1LUG_CHAINA_NTLS8_BMEAN
Analysis of TLS Group 8 Chain Segments (overall rmsd_b=4.51 and residual=0.85)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-2827232 15.4 8.830.32 4.32 10.9, 4.2, 5.1 7.35, 3.81, 2.60 15.40.33
green29-7345366 13.9 7.460.37 4.56 -3.4, 8.5, 6.9 0.79, 2.02, 3.88 13.90.32
magenta74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
red80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
cyan87-16377616 9.8 5.520.47 3.97 4.3, 4.9, 6.3 0.76, 2.00, 1.27 9.80.46
yellow164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
violet175-25581679 11.2 6.130.44 3.95 7.5, 5.6, 4.4 1.39, 0.86, 1.08 11.20.43
purpleblue256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 9 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView    Group description for PHENIX    Generate PDBIN/TLSIN Files for REFMAC5/PHENIX
structimageClick on image for expanded view
1LUG_CHAINA_NTLS9_BMEAN
Analysis of TLS Group 9 Chain Segments (overall rmsd_b=4.41 and residual=0.81)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-9868 20.411.460.39 3.54 8.7, 17.2, 13.117.84, 9.36, 0.00 20.40.38
green10-2819164 13.4 6.430.29 3.78 3.9, 9.2, 7.3 8.79, 1.80, 2.70 13.40.32
magenta29-7345366 13.9 7.460.37 4.56 -3.4, 8.5, 6.9 0.79, 2.02, 3.88 13.90.32
red74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
cyan80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
yellow87-16377616 9.8 5.520.47 3.97 4.3, 4.9, 6.3 0.76, 2.00, 1.27 9.80.46
violet164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
purpleblue175-25581679 11.2 6.130.44 3.95 7.5, 5.6, 4.4 1.39, 0.86, 1.08 11.20.43
salmon256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 10 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView    Group description for PHENIX    Generate PDBIN/TLSIN Files for REFMAC5/PHENIX
structimageClick on image for expanded view
1LUG_CHAINA_NTLS10_BMEAN
Analysis of TLS Group 10 Chain Segments (overall rmsd_b=4.29 and residual=0.76)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-9868 20.411.460.39 3.54 8.7, 17.2, 13.117.84, 9.36, 0.00 20.40.38
green10-4132270 12.3 6.150.34 3.90 1.2, 7.6, 7.3 6.99, 0.86, 1.13 12.30.32
magenta42-531298 18.6 9.860.34 4.34 0.9, 8.6, 12.3 1.70, 3.95, 20.56 18.60.29
red54-7320162 13.0 5.260.34 3.74 13.1, 7.9, 5.0 3.66, 2.10, 0.00 13.00.39
cyan74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
yellow80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
violet87-16377616 9.8 5.520.47 3.97 4.3, 4.9, 6.3 0.76, 2.00, 1.27 9.80.46
purpleblue164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
salmon175-25581679 11.2 6.130.44 3.95 7.5, 5.6, 4.4 1.39, 0.86, 1.08 11.20.43
lime256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 11 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView    Group description for PHENIX    Generate PDBIN/TLSIN Files for REFMAC5/PHENIX
structimageClick on image for expanded view
1LUG_CHAINA_NTLS11_BMEAN
Analysis of TLS Group 11 Chain Segments (overall rmsd_b=4.19 and residual=0.73)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-1413106 19.410.290.35 4.28 19.9, 9.2, 10.612.33, 7.35, 0.10 19.40.36
green15-3521181 10.8 5.200.37 3.16 7.6, 4.1, 2.8 5.73, 1.23, 0.91 10.80.33
magenta36-5015120 15.8 6.180.33 2.51 4.1, 9.3, 11.016.91, 0.86, 1.68 15.80.35
red51-55541 20.912.960.35 5.15-13.4, 13.9, 8.3 2.99, 21.05, 33.79 20.90.27
cyan56-7318150 12.7 5.050.34 3.67 13.0, 8.0, 5.1 3.49, 2.06, 0.00 12.70.40
yellow74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
violet80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
purpleblue87-16377616 9.8 5.520.47 3.97 4.3, 4.9, 6.3 0.76, 2.00, 1.27 9.80.46
salmon164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
lime175-25581679 11.2 6.130.44 3.95 7.5, 5.6, 4.4 1.39, 0.86, 1.08 11.20.43
slate256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 12 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView    Group description for PHENIX    Generate PDBIN/TLSIN Files for REFMAC5/PHENIX
structimageClick on image for expanded view
1LUG_CHAINA_NTLS12_BMEAN
Analysis of TLS Group 12 Chain Segments (overall rmsd_b=4.10 and residual=0.70)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-1413106 19.410.290.35 4.28 19.9, 9.2, 10.612.33, 7.35, 0.10 19.40.36
green15-3521181 10.8 5.200.37 3.16 7.6, 4.1, 2.8 5.73, 1.23, 0.91 10.80.33
magenta36-5015120 15.8 6.180.33 2.51 4.1, 9.3, 11.016.91, 0.86, 1.68 15.80.35
red51-55541 20.912.960.35 5.15-13.4, 13.9, 8.3 2.99, 21.05, 33.79 20.90.27
cyan56-7318150 12.7 5.050.34 3.67 13.0, 8.0, 5.1 3.49, 2.06, 0.00 12.70.40
yellow74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
violet80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
purpleblue87-16377616 9.8 5.520.47 3.97 4.3, 4.9, 6.3 0.76, 2.00, 1.27 9.80.46
salmon164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
lime175-18713105 13.8 4.930.32 2.78 13.3, 8.2, 6.221.85, 1.17, 0.00 13.80.37
slate188-25568574 10.7 6.200.46 3.93 7.2, 4.5, 4.1 1.58, 0.98, 1.09 10.70.42
bluegreen256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 13 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView    Group description for PHENIX    Generate PDBIN/TLSIN Files for REFMAC5/PHENIX
structimageClick on image for expanded view
1LUG_CHAINA_NTLS13_BMEAN
Analysis of TLS Group 13 Chain Segments (overall rmsd_b=4.01 and residual=0.67)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-1413106 19.410.290.35 4.28 19.9, 9.2, 10.612.33, 7.35, 0.10 19.40.36
green15-3521181 10.8 5.200.37 3.16 7.6, 4.1, 2.8 5.73, 1.23, 0.91 10.80.33
magenta36-5015120 15.8 6.180.33 2.51 4.1, 9.3, 11.016.91, 0.86, 1.68 15.80.35
red51-55541 20.912.960.35 5.15-13.4, 13.9, 8.3 2.99, 21.05, 33.79 20.90.27
cyan56-7318150 12.7 5.050.34 3.67 13.0, 8.0, 5.1 3.49, 2.06, 0.00 12.70.40
yellow74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
violet80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
purpleblue87-15165528 9.0 5.110.48 3.81 6.1, 3.6, 4.5 0.76, 2.26, 1.41 9.00.46
salmon152-1631288 14.4 5.630.37 2.41 15.5, 5.3, 7.518.93, 0.95, 2.73 14.40.33
lime164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
slate175-18713105 13.8 4.930.32 2.78 13.3, 8.2, 6.221.85, 1.17, 0.00 13.80.37
bluegreen188-25568574 10.7 6.200.46 3.93 7.2, 4.5, 4.1 1.58, 0.98, 1.09 10.70.42
hotpink256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 14 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
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structimageClick on image for expanded view
1LUG_CHAINA_NTLS14_BMEAN
Analysis of TLS Group 14 Chain Segments (overall rmsd_b=3.92 and residual=0.64)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-1413106 19.410.290.35 4.28 19.9, 9.2, 10.612.33, 7.35, 0.10 19.40.36
green15-3521181 10.8 5.200.37 3.16 7.6, 4.1, 2.8 5.73, 1.23, 0.91 10.80.33
magenta36-5015120 15.8 6.180.33 2.51 4.1, 9.3, 11.016.91, 0.86, 1.68 15.80.35
red51-55541 20.912.960.35 5.15-13.4, 13.9, 8.3 2.99, 21.05, 33.79 20.90.27
cyan56-7318150 12.7 5.050.34 3.67 13.0, 8.0, 5.1 3.49, 2.06, 0.00 12.70.40
yellow74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
violet80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
purpleblue87-15165528 9.0 5.110.48 3.81 6.1, 3.6, 4.5 0.76, 2.26, 1.41 9.00.46
salmon152-1631288 14.4 5.630.37 2.41 15.5, 5.3, 7.518.93, 0.95, 2.73 14.40.33
lime164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
slate175-18713105 13.8 4.930.32 2.78 13.3, 8.2, 6.221.85, 1.17, 0.00 13.80.37
bluegreen188-22336294 8.4 4.300.51 2.80 1.0, 5.4, 6.3 2.49, 1.19, 0.80 8.40.44
hotpink224-25532280 13.0 6.980.41 4.25 2.7, 5.1, 8.9 3.61, 0.73, 1.53 13.00.39
orange256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 15 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView    Group description for PHENIX    Generate PDBIN/TLSIN Files for REFMAC5/PHENIX
structimageClick on image for expanded view
1LUG_CHAINA_NTLS15_BMEAN
Analysis of TLS Group 15 Chain Segments (overall rmsd_b=3.84 and residual=0.61)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-1413106 19.410.290.35 4.28 19.9, 9.2, 10.612.33, 7.35, 0.10 19.40.36
green15-3521181 10.8 5.200.37 3.16 7.6, 4.1, 2.8 5.73, 1.23, 0.91 10.80.33
magenta36-5015120 15.8 6.180.33 2.51 4.1, 9.3, 11.016.91, 0.86, 1.68 15.80.35
red51-55541 20.912.960.35 5.15-13.4, 13.9, 8.3 2.99, 21.05, 33.79 20.90.27
cyan56-7318150 12.7 5.050.34 3.67 13.0, 8.0, 5.1 3.49, 2.06, 0.00 12.70.40
yellow74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
violet80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
purpleblue87-15165528 9.0 5.110.48 3.81 6.1, 3.6, 4.5 0.76, 2.26, 1.41 9.00.46
salmon152-1631288 14.4 5.630.37 2.41 15.5, 5.3, 7.518.93, 0.95, 2.73 14.40.33
lime164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
slate175-18713105 13.8 4.930.32 2.78 13.3, 8.2, 6.221.85, 1.17, 0.00 13.80.37
bluegreen188-22639325 8.9 4.550.50 2.97 1.0, 5.3, 6.6 2.38, 1.33, 0.76 8.90.45
hotpink227-23812100 17.9 8.100.32 4.66 19.1, 11.3, 3.017.37, 5.61, 0.00 17.90.31
orange239-25517149 9.8 4.010.47 2.23 3.6, 5.1, 7.5 4.60, 0.95, 1.30 9.80.47
yellowgreen256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 16 Groups
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structimageClick on image for expanded view
1LUG_CHAINA_NTLS16_BMEAN
Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.77 and residual=0.59)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-1413106 19.410.290.35 4.28 19.9, 9.2, 10.612.33, 7.35, 0.10 19.40.36
green15-3521181 10.8 5.200.37 3.16 7.6, 4.1, 2.8 5.73, 1.23, 0.91 10.80.33
magenta36-5015120 15.8 6.180.33 2.51 4.1, 9.3, 11.016.91, 0.86, 1.68 15.80.35
red51-55541 20.912.960.35 5.15-13.4, 13.9, 8.3 2.99, 21.05, 33.79 20.90.27
cyan56-7318150 12.7 5.050.34 3.67 13.0, 8.0, 5.1 3.49, 2.06, 0.00 12.70.40
yellow74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
violet80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
purpleblue87-13448406 9.0 4.770.47 3.57 6.0, 3.8, 4.7 0.77, 1.38, 2.48 9.00.47
salmon135-15117122 9.0 6.110.52 3.16 7.0, 2.9, 1.311.98, 0.78, 1.40 9.00.40
lime152-1631288 14.4 5.630.37 2.41 15.5, 5.3, 7.518.93, 0.95, 2.73 14.40.33
slate164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
bluegreen175-18713105 13.8 4.930.32 2.78 13.3, 8.2, 6.221.85, 1.17, 0.00 13.80.37
hotpink188-22639325 8.9 4.550.50 2.97 1.0, 5.3, 6.6 2.38, 1.33, 0.76 8.90.45
orange227-23812100 17.9 8.100.32 4.66 19.1, 11.3, 3.017.37, 5.61, 0.00 17.90.31
yellowgreen239-25517149 9.8 4.010.47 2.23 3.6, 5.1, 7.5 4.60, 0.95, 1.30 9.80.47
blueviolet256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 17 Groups
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structimageClick on image for expanded view
1LUG_CHAINA_NTLS17_BMEAN
Analysis of TLS Group 17 Chain Segments (overall rmsd_b=3.70 and residual=0.57)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-1413106 19.410.290.35 4.28 19.9, 9.2, 10.612.33, 7.35, 0.10 19.40.36
green15-3521181 10.8 5.200.37 3.16 7.6, 4.1, 2.8 5.73, 1.23, 0.91 10.80.33
magenta36-5015120 15.8 6.180.33 2.51 4.1, 9.3, 11.016.91, 0.86, 1.68 15.80.35
red51-55541 20.912.960.35 5.15-13.4, 13.9, 8.3 2.99, 21.05, 33.79 20.90.27
cyan56-7318150 12.7 5.050.34 3.67 13.0, 8.0, 5.1 3.49, 2.06, 0.00 12.70.40
yellow74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
violet80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
purpleblue87-12539333 8.3 4.200.49 3.01 3.1, 5.9, 5.1 0.47, 1.12, 2.05 8.30.48
salmon126-134973 11.9 5.990.36 3.39 10.3, 2.5, 6.017.66, 5.76, 4.89 11.90.29
lime135-15117122 9.0 6.110.52 3.16 7.0, 2.9, 1.311.98, 0.78, 1.40 9.00.40
slate152-1631288 14.4 5.630.37 2.41 15.5, 5.3, 7.518.93, 0.95, 2.73 14.40.33
bluegreen164-1741179 20.010.570.28 3.93 18.9, 0.5, 8.019.37, 6.16, 9.51 20.00.21
hotpink175-18713105 13.8 4.930.32 2.78 13.3, 8.2, 6.221.85, 1.17, 0.00 13.80.37
orange188-22639325 8.9 4.550.50 2.97 1.0, 5.3, 6.6 2.38, 1.33, 0.76 8.90.45
yellowgreen227-23812100 17.9 8.100.32 4.66 19.1, 11.3, 3.017.37, 5.61, 0.00 17.90.31
blueviolet239-25517149 9.8 4.010.47 2.23 3.6, 5.1, 7.5 4.60, 0.95, 1.30 9.80.47
marine256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 18 Groups
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structimageClick on image for expanded view
1LUG_CHAINA_NTLS18_BMEAN
Analysis of TLS Group 18 Chain Segments (overall rmsd_b=3.64 and residual=0.55)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-1413106 19.410.290.35 4.28 19.9, 9.2, 10.612.33, 7.35, 0.10 19.40.36
green15-3521181 10.8 5.200.37 3.16 7.6, 4.1, 2.8 5.73, 1.23, 0.91 10.80.33
magenta36-5015120 15.8 6.180.33 2.51 4.1, 9.3, 11.016.91, 0.86, 1.68 15.80.35
red51-55541 20.912.960.35 5.15-13.4, 13.9, 8.3 2.99, 21.05, 33.79 20.90.27
cyan56-7318150 12.7 5.050.34 3.67 13.0, 8.0, 5.1 3.49, 2.06, 0.00 12.70.40
yellow74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
violet80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
purpleblue87-12539333 8.3 4.200.49 3.01 3.1, 5.9, 5.1 0.47, 1.12, 2.05 8.30.48
salmon126-134973 11.9 5.990.36 3.39 10.3, 2.5, 6.017.66, 5.76, 4.89 11.90.29
lime135-15117122 9.0 6.110.52 3.16 7.0, 2.9, 1.311.98, 0.78, 1.40 9.00.40
slate152-1631288 14.4 5.630.37 2.41 15.5, 5.3, 7.518.93, 0.95, 2.73 14.40.33
bluegreen164-169647 18.710.400.32 3.38 18.9, -2.0, 5.927.21, 10.74, 17.73 18.70.22
hotpink170-175643 20.2 9.570.25 3.01 22.3, 3.9, 9.032.68, 0.00, 3.84 20.20.20
orange176-1871294 13.6 5.130.32 2.76 13.3, 6.4, 7.626.41, 1.45, 0.00 13.60.35
yellowgreen188-22639325 8.9 4.550.50 2.97 1.0, 5.3, 6.6 2.38, 1.33, 0.76 8.90.45
blueviolet227-23812100 17.9 8.100.32 4.66 19.1, 11.3, 3.017.37, 5.61, 0.00 17.90.31
marine239-25517149 9.8 4.010.47 2.23 3.6, 5.1, 7.5 4.60, 0.95, 1.30 9.80.47
olive256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 19 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
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structimageClick on image for expanded view
1LUG_CHAINA_NTLS19_BMEAN
Analysis of TLS Group 19 Chain Segments (overall rmsd_b=3.59 and residual=0.54)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-1413106 19.410.290.35 4.28 19.9, 9.2, 10.612.33, 7.35, 0.10 19.40.36
green15-3521181 10.8 5.200.37 3.16 7.6, 4.1, 2.8 5.73, 1.23, 0.91 10.80.33
magenta36-5015120 15.8 6.180.33 2.51 4.1, 9.3, 11.016.91, 0.86, 1.68 15.80.35
red51-55541 20.912.960.35 5.15-13.4, 13.9, 8.3 2.99, 21.05, 33.79 20.90.27
cyan56-7318150 12.7 5.050.34 3.67 13.0, 8.0, 5.1 3.49, 2.06, 0.00 12.70.40
yellow74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
violet80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
purpleblue87-12539333 8.3 4.200.49 3.01 3.1, 5.9, 5.1 0.47, 1.12, 2.05 8.30.48
salmon126-134973 11.9 5.990.36 3.39 10.3, 2.5, 6.017.66, 5.76, 4.89 11.90.29
lime135-15117122 9.0 6.110.52 3.16 7.0, 2.9, 1.311.98, 0.78, 1.40 9.00.40
slate152-1631288 14.4 5.630.37 2.41 15.5, 5.3, 7.518.93, 0.95, 2.73 14.40.33
bluegreen164-169647 18.710.400.32 3.38 18.9, -2.0, 5.927.21, 10.74, 17.73 18.70.22
hotpink170-175643 20.2 9.570.25 3.01 22.3, 3.9, 9.032.68, 0.00, 3.84 20.20.20
orange176-1871294 13.6 5.130.32 2.76 13.3, 6.4, 7.626.41, 1.45, 0.00 13.60.35
yellowgreen188-22639325 8.9 4.550.50 2.97 1.0, 5.3, 6.6 2.38, 1.33, 0.76 8.90.45
blueviolet227-233757 14.7 7.270.36 2.54 16.2, 9.0, 2.321.74, 3.98, 0.00 14.70.32
marine234-238543 22.1 7.140.27 4.15 7.1, 14.7, 21.637.53, 9.61, 0.00 22.10.32
olive239-25517149 9.8 4.010.47 2.23 3.6, 5.1, 7.5 4.60, 0.95, 1.30 9.80.47
purple256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23


Summary of Optimal TLS Group Partition using 20 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView    Group description for PHENIX    Generate PDBIN/TLSIN Files for REFMAC5/PHENIX
structimageClick on image for expanded view
1LUG_CHAINA_NTLS20_BMEAN
Analysis of TLS Group 20 Chain Segments (overall rmsd_b=3.53 and residual=0.52)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD Beval(Tr) Beval(L) DEG2<B><Aniso>
blue2-9868 20.411.460.39 3.54 8.7, 17.2, 13.117.84, 9.36, 0.00 20.40.38
green10-15648 16.5 7.040.27 3.21-41.9, 9.9, 25.712.67, 6.75, 1.18 16.50.31
magenta16-3520171 10.7 5.320.37 3.23 7.4, 4.2, 3.0 5.88, 1.36, 0.95 10.70.34
red36-5015120 15.8 6.180.33 2.51 4.1, 9.3, 11.016.91, 0.86, 1.68 15.80.35
cyan51-55541 20.912.960.35 5.15-13.4, 13.9, 8.3 2.99, 21.05, 33.79 20.90.27
yellow56-7318150 12.7 5.050.34 3.67 13.0, 8.0, 5.1 3.49, 2.06, 0.00 12.70.40
violet74-79650 23.414.070.34 5.48 1.2, 12.2, 9.359.34, 5.32, 3.81 23.30.33
purpleblue80-86748 15.610.840.43 3.25 2.4, 11.0, 8.748.13, 0.00, 10.47 15.60.25
salmon87-12539333 8.3 4.200.49 3.01 3.1, 5.9, 5.1 0.47, 1.12, 2.05 8.30.48
lime126-134973 11.9 5.990.36 3.39 10.3, 2.5, 6.017.66, 5.76, 4.89 11.90.29
slate135-15117122 9.0 6.110.52 3.16 7.0, 2.9, 1.311.98, 0.78, 1.40 9.00.40
bluegreen152-1631288 14.4 5.630.37 2.41 15.5, 5.3, 7.518.93, 0.95, 2.73 14.40.33
hotpink164-169647 18.710.400.32 3.38 18.9, -2.0, 5.927.21, 10.74, 17.73 18.70.22
orange170-175643 20.2 9.570.25 3.01 22.3, 3.9, 9.032.68, 0.00, 3.84 20.20.20
yellowgreen176-1871294 13.6 5.130.32 2.76 13.3, 6.4, 7.626.41, 1.45, 0.00 13.60.35
blueviolet188-22639325 8.9 4.550.50 2.97 1.0, 5.3, 6.6 2.38, 1.33, 0.76 8.90.45
marine227-233757 14.7 7.270.36 2.54 16.2, 9.0, 2.321.74, 3.98, 0.00 14.70.32
olive234-238543 22.1 7.140.27 4.15 7.1, 14.7, 21.637.53, 9.61, 0.00 22.10.32
purple239-25517149 9.8 4.010.47 2.23 3.6, 5.1, 7.5 4.60, 0.95, 1.30 9.80.47
teal256-260550 19.913.320.32 3.46 12.3, 6.6, 2.430.93, 14.33, 4.46 19.90.23

26 Mar 2010JobID: TLSMD7778_dGusjLfPTLSMD Version 1.4.1 Released 11 February 2010