26 Mar 2010JobID: TLSMD7775_MdtkYfhaTLSMD Version 1.4.1

1ABE: Chain A TLS Analysis


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Chain A Optimization Residual
1ABE_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
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
1ABE_CHAINA_NTLS1_BMEAN
Analysis of TLS Group 1 Chain Segments (overall rmsd_b=7.41 and residual=2.68)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-3063052316 18.310.591.00 7.41 4.6 7.61, 1.37, 0.47 18.30.62


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
1ABE_CHAINA_NTLS2_BMEAN
Analysis of TLS Group 2 Chain Segments (overall rmsd_b=5.96 and residual=1.74)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2942932230 17.3 8.791.00 5.92 5.4 5.91, 0.02, 1.94 17.30.64
green295-3061286 43.918.231.00 7.46 15.977.64, 0.00, 26.74 43.90.64


Summary of Optimal TLS Group Partition using 3 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
1ABE_CHAINA_NTLS3_BMEAN
Analysis of TLS Group 3 Chain Segments (overall rmsd_b=5.50 and residual=1.48)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-108107809 18.0 9.131.00 5.07 5.8 0.00, 4.64, 6.23 18.00.60
green109-2941861421 16.8 8.561.00 5.65 5.6 6.30, 2.20, 0.00 16.80.65
magenta295-3061286 43.918.231.00 7.46 15.977.64, 0.00, 26.74 43.90.64


Summary of Optimal TLS Group Partition using 4 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
1ABE_CHAINA_NTLS4_BMEAN
Analysis of TLS Group 4 Chain Segments (overall rmsd_b=5.14 and residual=1.29)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-121120906 17.8 9.011.00 5.31 5.0 0.00, 6.41, 3.37 17.80.61
green122-15029236 20.510.301.00 5.41 1.626.57, 0.00, 5.92 20.50.64
magenta151-2941441088 16.1 7.991.00 4.96 5.9 5.49, 2.13, 0.00 16.10.65
red295-3061286 43.918.231.00 7.46 15.977.64, 0.00, 26.74 43.90.64


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
1ABE_CHAINA_NTLS5_BMEAN
Analysis of TLS Group 5 Chain Segments (overall rmsd_b=4.90 and residual=1.18)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-3433273 16.2 9.391.00 4.80 7.715.31, 0.00, 5.40 16.20.56
green35-12288645 18.6 8.781.00 4.66 2.6 9.06, 0.08, 2.85 18.60.61
magenta123-15028224 20.410.361.00 5.50 1.426.41, 0.00, 5.90 20.40.63
red151-2941441088 16.1 7.991.00 4.96 5.9 5.49, 2.13, 0.00 16.10.65
cyan295-3061286 43.918.231.00 7.46 15.977.64, 0.00, 26.74 43.90.64


Summary of Optimal TLS Group Partition using 6 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
1ABE_CHAINA_NTLS6_BMEAN
Analysis of TLS Group 6 Chain Segments (overall rmsd_b=4.68 and residual=1.07)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-3433273 16.2 9.391.00 4.80 7.715.31, 0.00, 5.40 16.20.56
green35-12288645 18.6 8.781.00 4.66 2.6 9.06, 0.08, 2.85 18.60.61
magenta123-15028224 20.410.361.00 5.50 1.426.41, 0.00, 5.90 20.40.63
red151-272122908 14.9 6.911.00 4.57 6.8 5.23, 1.85, 0.00 14.90.67
cyan273-29826215 23.311.141.00 5.61 6.319.35, 0.00, 3.33 23.30.61
yellow299-306851 53.215.331.00 4.94 38.246.71, 11.08, 0.00 53.20.74


Summary of Optimal TLS Group Partition using 7 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
1ABE_CHAINA_NTLS7_BMEAN
Analysis of TLS Group 7 Chain Segments (overall rmsd_b=4.53 and residual=1.00)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-3433273 16.2 9.391.00 4.80 7.715.31, 0.00, 5.40 16.20.56
green35-12288645 18.6 8.781.00 4.66 2.6 9.06, 0.08, 2.85 18.60.61
magenta123-15028224 20.410.361.00 5.50 1.426.41, 0.00, 5.90 20.40.63
red151-19747354 18.2 7.751.00 5.26 6.1 0.00, 5.71, 9.67 18.20.71
cyan198-27275554 12.9 5.371.00 3.47 7.6 3.29, 0.00, 1.65 12.90.69
yellow273-29826215 23.311.141.00 5.61 6.319.35, 0.00, 3.33 23.30.61
violet299-306851 53.215.331.00 4.94 38.246.71, 11.08, 0.00 53.20.74


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
1ABE_CHAINA_NTLS8_BMEAN
Analysis of TLS Group 8 Chain Segments (overall rmsd_b=4.37 and residual=0.94)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-3433273 16.2 9.391.00 4.80 7.715.31, 0.00, 5.40 16.20.56
green35-9056399 17.8 7.651.00 4.38 5.8 8.78, 1.18, 4.20 17.80.64
magenta91-12131234 19.710.261.00 4.54 12.012.35, 0.00, 2.77 19.70.58
red122-15029236 20.510.301.00 5.41 1.626.57, 0.00, 5.92 20.50.64
cyan151-19747354 18.2 7.751.00 5.26 6.1 0.00, 5.71, 9.67 18.20.71
yellow198-27275554 12.9 5.371.00 3.47 7.6 3.29, 0.00, 1.65 12.90.69
violet273-29826215 23.311.141.00 5.61 6.319.35, 0.00, 3.33 23.30.61
purpleblue299-306851 53.215.331.00 4.94 38.246.71, 11.08, 0.00 53.20.74


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
1ABE_CHAINA_NTLS9_BMEAN
Analysis of TLS Group 9 Chain Segments (overall rmsd_b=4.24 and residual=0.88)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2120173 13.5 7.541.00 2.46 7.9 8.63, 0.00, 3.94 13.50.62
green22-3413100 21.010.311.00 4.82 8.938.35, 0.00, 10.73 21.00.63
magenta35-9056399 17.8 7.651.00 4.38 5.8 8.78, 1.18, 4.20 17.80.64
red91-12131234 19.710.261.00 4.54 12.012.35, 0.00, 2.77 19.70.58
cyan122-15029236 20.510.301.00 5.41 1.626.57, 0.00, 5.92 20.50.64
yellow151-19747354 18.2 7.751.00 5.26 6.1 0.00, 5.71, 9.67 18.20.71
violet198-27275554 12.9 5.371.00 3.47 7.6 3.29, 0.00, 1.65 12.90.69
purpleblue273-29826215 23.311.141.00 5.61 6.319.35, 0.00, 3.33 23.30.61
salmon299-306851 53.215.331.00 4.94 38.246.71, 11.08, 0.00 53.20.74


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
1ABE_CHAINA_NTLS10_BMEAN
Analysis of TLS Group 10 Chain Segments (overall rmsd_b=4.10 and residual=0.82)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-3433273 16.2 9.391.00 4.80 7.715.31, 0.00, 5.40 16.20.56
green35-9056399 17.8 7.651.00 4.38 5.8 8.78, 1.18, 4.20 17.80.64
magenta91-12131234 19.710.261.00 4.54 12.012.35, 0.00, 2.77 19.70.58
red122-15029236 20.510.301.00 5.41 1.626.57, 0.00, 5.92 20.50.64
cyan151-19747354 18.2 7.751.00 5.26 6.1 0.00, 5.71, 9.67 18.20.71
yellow198-27073542 12.5 4.751.00 3.34 7.7 3.27, 0.00, 1.44 12.50.72
violet271-276645 37.0 8.471.00 3.06 26.257.05, 4.15, 0.00 37.00.77
purpleblue277-29014109 18.2 5.171.00 2.46 9.937.72, 0.62, 0.00 18.20.75
salmon291-299982 26.213.691.00 4.26 13.375.45, 9.22, 0.00 26.20.56
lime300-306742 54.715.331.00 3.32 48.338.04, 0.00, 0.00 54.70.73


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
1ABE_CHAINA_NTLS11_BMEAN
Analysis of TLS Group 11 Chain Segments (overall rmsd_b=3.96 and residual=0.77)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2120173 13.5 7.541.00 2.46 7.9 8.63, 0.00, 3.94 13.50.62
green22-3413100 21.010.311.00 4.82 8.938.35, 0.00, 10.73 21.00.63
magenta35-9056399 17.8 7.651.00 4.38 5.8 8.78, 1.18, 4.20 17.80.64
red91-12131234 19.710.261.00 4.54 12.012.35, 0.00, 2.77 19.70.58
cyan122-15029236 20.510.301.00 5.41 1.626.57, 0.00, 5.92 20.50.64
yellow151-19747354 18.2 7.751.00 5.26 6.1 0.00, 5.71, 9.67 18.20.71
violet198-27073542 12.5 4.751.00 3.34 7.7 3.27, 0.00, 1.44 12.50.72
purpleblue271-276645 37.0 8.471.00 3.06 26.257.05, 4.15, 0.00 37.00.77
salmon277-29014109 18.2 5.171.00 2.46 9.937.72, 0.62, 0.00 18.20.75
lime291-299982 26.213.691.00 4.26 13.375.45, 9.22, 0.00 26.20.56
slate300-306742 54.715.331.00 3.32 48.338.04, 0.00, 0.00 54.70.73


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
1ABE_CHAINA_NTLS12_BMEAN
Analysis of TLS Group 12 Chain Segments (overall rmsd_b=3.81 and residual=0.71)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2120173 13.5 7.541.00 2.46 7.9 8.63, 0.00, 3.94 13.50.62
green22-3413100 21.010.311.00 4.82 8.938.35, 0.00, 10.73 21.00.63
magenta35-9056399 17.8 7.651.00 4.38 5.8 8.78, 1.18, 4.20 17.80.64
red91-12131234 19.710.261.00 4.54 12.012.35, 0.00, 2.77 19.70.58
cyan122-14726209 20.1 9.941.00 5.24 2.024.91, 0.00, 5.60 20.10.64
yellow148-18841307 18.4 8.331.00 4.60 4.8 0.00, 9.20, 12.39 18.40.68
violet189-197974 19.2 8.001.00 4.12 7.3 0.00, 24.56, 21.32 19.20.64
purpleblue198-27073542 12.5 4.751.00 3.34 7.7 3.27, 0.00, 1.44 12.50.72
salmon271-276645 37.0 8.471.00 3.06 26.257.05, 4.15, 0.00 37.00.77
lime277-29014109 18.2 5.171.00 2.46 9.937.72, 0.62, 0.00 18.20.75
slate291-299982 26.213.691.00 4.26 13.375.45, 9.22, 0.00 26.20.56
bluegreen300-306742 54.715.331.00 3.32 48.338.04, 0.00, 0.00 54.70.73


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
1ABE_CHAINA_NTLS13_BMEAN
Analysis of TLS Group 13 Chain Segments (overall rmsd_b=3.67 and residual=0.66)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2120173 13.5 7.541.00 2.46 7.9 8.63, 0.00, 3.94 13.50.62
green22-3413100 21.010.311.00 4.82 8.938.35, 0.00, 10.73 21.00.63
magenta35-6935247 17.3 7.291.00 3.98 6.5 1.67, 4.79, 8.07 17.30.65
red70-9324179 18.0 7.701.00 4.21 9.1 0.00, 14.39, 5.52 18.00.63
cyan94-12128207 20.410.691.00 4.62 12.012.99, 0.00, 2.35 20.40.57
yellow122-14726209 20.1 9.941.00 5.24 2.024.91, 0.00, 5.60 20.10.64
violet148-18841307 18.4 8.331.00 4.60 4.8 0.00, 9.20, 12.39 18.40.68
purpleblue189-197974 19.2 8.001.00 4.12 7.3 0.00, 24.56, 21.32 19.20.64
salmon198-27073542 12.5 4.751.00 3.34 7.7 3.27, 0.00, 1.44 12.50.72
lime271-276645 37.0 8.471.00 3.06 26.257.05, 4.15, 0.00 37.00.77
slate277-29014109 18.2 5.171.00 2.46 9.937.72, 0.62, 0.00 18.20.75
bluegreen291-299982 26.213.691.00 4.26 13.375.45, 9.22, 0.00 26.20.56
hotpink300-306742 54.715.331.00 3.32 48.338.04, 0.00, 0.00 54.70.73


Summary of Optimal TLS Group Partition using 14 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
1ABE_CHAINA_NTLS14_BMEAN
Analysis of TLS Group 14 Chain Segments (overall rmsd_b=3.57 and residual=0.63)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2019159 13.6 7.831.00 2.49 7.6 8.83, 0.00, 4.03 13.60.61
green21-3313105 18.7 8.561.00 4.94 -2.928.77, 0.00, 3.86 18.70.65
magenta34-451290 18.1 9.971.00 4.39 6.533.32, 10.53, 0.00 18.10.58
red46-6722150 17.6 6.931.00 3.39 8.1 0.00, 4.79, 9.56 17.60.66
cyan68-9023168 18.6 8.281.00 4.24 7.5 0.00, 16.91, 6.78 18.60.61
yellow91-12131234 19.710.261.00 4.54 12.012.35, 0.00, 2.77 19.70.58
violet122-14726209 20.1 9.941.00 5.24 2.024.91, 0.00, 5.60 20.10.64
purpleblue148-18841307 18.4 8.331.00 4.60 4.8 0.00, 9.20, 12.39 18.40.68
salmon189-197974 19.2 8.001.00 4.12 7.3 0.00, 24.56, 21.32 19.20.64
lime198-27073542 12.5 4.751.00 3.34 7.7 3.27, 0.00, 1.44 12.50.72
slate271-276645 37.0 8.471.00 3.06 26.257.05, 4.15, 0.00 37.00.77
bluegreen277-29014109 18.2 5.171.00 2.46 9.937.72, 0.62, 0.00 18.20.75
hotpink291-299982 26.213.691.00 4.26 13.375.45, 9.22, 0.00 26.20.56
orange300-306742 54.715.331.00 3.32 48.338.04, 0.00, 0.00 54.70.73


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
1ABE_CHAINA_NTLS15_BMEAN
Analysis of TLS Group 15 Chain Segments (overall rmsd_b=3.46 and residual=0.59)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2120173 13.5 7.541.00 2.46 7.9 8.63, 0.00, 3.94 13.50.62
green22-3413100 21.010.311.00 4.82 8.938.35, 0.00, 10.73 21.00.63
magenta35-6935247 17.3 7.291.00 3.98 6.5 1.67, 4.79, 8.07 17.30.65
red70-9324179 18.0 7.701.00 4.21 9.1 0.00, 14.39, 5.52 18.00.63
cyan94-12128207 20.410.691.00 4.62 12.012.99, 0.00, 2.35 20.40.57
yellow122-14726209 20.1 9.941.00 5.24 2.024.91, 0.00, 5.60 20.10.64
violet148-16316114 18.0 8.291.00 2.26 7.941.13, 0.00, 6.08 18.00.61
purpleblue164-170765 21.110.021.00 3.15 10.852.37, 19.52, 0.00 21.10.61
salmon171-18818128 17.4 7.051.00 4.10 10.6 0.00, 10.86, 15.83 17.40.69
lime189-197974 19.2 8.001.00 4.12 7.3 0.00, 24.56, 21.32 19.20.64
slate198-27073542 12.5 4.751.00 3.34 7.7 3.27, 0.00, 1.44 12.50.72
bluegreen271-276645 37.0 8.471.00 3.06 26.257.05, 4.15, 0.00 37.00.77
hotpink277-29014109 18.2 5.171.00 2.46 9.937.72, 0.62, 0.00 18.20.75
orange291-299982 26.213.691.00 4.26 13.375.45, 9.22, 0.00 26.20.56
yellowgreen300-306742 54.715.331.00 3.32 48.338.04, 0.00, 0.00 54.70.73


Summary of Optimal TLS Group Partition using 16 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
1ABE_CHAINA_NTLS16_BMEAN
Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.35 and residual=0.55)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2019159 13.6 7.831.00 2.49 7.6 8.83, 0.00, 4.03 13.60.61
green21-3313105 18.7 8.561.00 4.94 -2.928.77, 0.00, 3.86 18.70.65
magenta34-451290 18.1 9.971.00 4.39 6.533.32, 10.53, 0.00 18.10.58
red46-6722150 17.6 6.931.00 3.39 8.1 0.00, 4.79, 9.56 17.60.66
cyan68-9023168 18.6 8.281.00 4.24 7.5 0.00, 16.91, 6.78 18.60.61
yellow91-12131234 19.710.261.00 4.54 12.012.35, 0.00, 2.77 19.70.58
violet122-14726209 20.1 9.941.00 5.24 2.024.91, 0.00, 5.60 20.10.64
purpleblue148-16316114 18.0 8.291.00 2.26 7.941.13, 0.00, 6.08 18.00.61
salmon164-170765 21.110.021.00 3.15 10.852.37, 19.52, 0.00 21.10.61
lime171-18818128 17.4 7.051.00 4.10 10.6 0.00, 10.86, 15.83 17.40.69
slate189-197974 19.2 8.001.00 4.12 7.3 0.00, 24.56, 21.32 19.20.64
bluegreen198-27073542 12.5 4.751.00 3.34 7.7 3.27, 0.00, 1.44 12.50.72
hotpink271-276645 37.0 8.471.00 3.06 26.257.05, 4.15, 0.00 37.00.77
orange277-29014109 18.2 5.171.00 2.46 9.937.72, 0.62, 0.00 18.20.75
yellowgreen291-299982 26.213.691.00 4.26 13.375.45, 9.22, 0.00 26.20.56
blueviolet300-306742 54.715.331.00 3.32 48.338.04, 0.00, 0.00 54.70.73


Summary of Optimal TLS Group Partition using 17 Groups
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structimageClick on image for expanded view
1ABE_CHAINA_NTLS17_BMEAN
Analysis of TLS Group 17 Chain Segments (overall rmsd_b=3.25 and residual=0.52)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2019159 13.6 7.831.00 2.49 7.6 8.83, 0.00, 4.03 13.60.61
green21-3313105 18.7 8.561.00 4.94 -2.928.77, 0.00, 3.86 18.70.65
magenta34-451290 18.1 9.971.00 4.39 6.533.32, 10.53, 0.00 18.10.58
red46-6722150 17.6 6.931.00 3.39 8.1 0.00, 4.79, 9.56 17.60.66
cyan68-9023168 18.6 8.281.00 4.24 7.5 0.00, 16.91, 6.78 18.60.61
yellow91-12131234 19.710.261.00 4.54 12.012.35, 0.00, 2.77 19.70.58
violet122-14726209 20.1 9.941.00 5.24 2.024.91, 0.00, 5.60 20.10.64
purpleblue148-16316114 18.0 8.291.00 2.26 7.941.13, 0.00, 6.08 18.00.61
salmon164-170765 21.110.021.00 3.15 10.852.37, 19.52, 0.00 21.10.61
lime171-18818128 17.4 7.051.00 4.10 10.6 0.00, 10.86, 15.83 17.40.69
slate189-197974 19.2 8.001.00 4.12 7.3 0.00, 24.56, 21.32 19.20.64
bluegreen198-25962446 11.5 3.711.00 2.88 8.4 3.48, 1.22, 0.00 11.50.78
hotpink260-2701196 16.8 6.401.00 2.89 11.224.72, 0.01, 0.00 16.80.66
orange271-276645 37.0 8.471.00 3.06 26.257.05, 4.15, 0.00 37.00.77
yellowgreen277-29014109 18.2 5.171.00 2.46 9.937.72, 0.62, 0.00 18.20.75
blueviolet291-299982 26.213.691.00 4.26 13.375.45, 9.22, 0.00 26.20.56
marine300-306742 54.715.331.00 3.32 48.338.04, 0.00, 0.00 54.70.73


Summary of Optimal TLS Group Partition using 18 Groups
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structimageClick on image for expanded view
1ABE_CHAINA_NTLS18_BMEAN
Analysis of TLS Group 18 Chain Segments (overall rmsd_b=3.17 and residual=0.49)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2019159 13.6 7.831.00 2.49 7.6 8.83, 0.00, 4.03 13.60.61
green21-3313105 18.7 8.561.00 4.94 -2.928.77, 0.00, 3.86 18.70.65
magenta34-451290 18.1 9.971.00 4.39 6.533.32, 10.53, 0.00 18.10.58
red46-6722150 17.6 6.931.00 3.39 8.1 0.00, 4.79, 9.56 17.60.66
cyan68-9023168 18.6 8.281.00 4.24 7.5 0.00, 16.91, 6.78 18.60.61
yellow91-12131234 19.710.261.00 4.54 12.012.35, 0.00, 2.77 19.70.58
violet122-14726209 20.1 9.941.00 5.24 2.024.91, 0.00, 5.60 20.10.64
purpleblue148-16316114 18.0 8.291.00 2.26 7.941.13, 0.00, 6.08 18.00.61
salmon164-170765 21.110.021.00 3.15 10.852.37, 19.52, 0.00 21.10.61
lime171-179969 18.3 7.531.00 4.19 5.3 0.00, 15.71, 18.86 18.30.67
slate180-1901175 17.0 6.621.00 3.09 8.943.51, 0.00, 8.65 17.00.68
bluegreen191-197758 19.2 8.161.00 3.99 7.3 0.00, 27.31, 22.23 19.20.64
hotpink198-25962446 11.5 3.711.00 2.88 8.4 3.48, 1.22, 0.00 11.50.78
orange260-2701196 16.8 6.401.00 2.89 11.224.72, 0.01, 0.00 16.80.66
yellowgreen271-276645 37.0 8.471.00 3.06 26.257.05, 4.15, 0.00 37.00.77
blueviolet277-29014109 18.2 5.171.00 2.46 9.937.72, 0.62, 0.00 18.20.75
marine291-299982 26.213.691.00 4.26 13.375.45, 9.22, 0.00 26.20.56
olive300-306742 54.715.331.00 3.32 48.338.04, 0.00, 0.00 54.70.73


Summary of Optimal TLS Group Partition using 19 Groups
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structimageClick on image for expanded view
1ABE_CHAINA_NTLS19_BMEAN
Analysis of TLS Group 19 Chain Segments (overall rmsd_b=3.07 and residual=0.46)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2019159 13.6 7.831.00 2.49 7.6 8.83, 0.00, 4.03 13.60.61
green21-3313105 18.7 8.561.00 4.94 -2.928.77, 0.00, 3.86 18.70.65
magenta34-451290 18.1 9.971.00 4.39 6.533.32, 10.53, 0.00 18.10.58
red46-6722150 17.6 6.931.00 3.39 8.1 0.00, 4.79, 9.56 17.60.66
cyan68-9023168 18.6 8.281.00 4.24 7.5 0.00, 16.91, 6.78 18.60.61
yellow91-12131234 19.710.261.00 4.54 12.012.35, 0.00, 2.77 19.70.58
violet122-127656 23.912.061.00 4.18 12.666.62, 0.00, 5.94 23.90.58
purpleblue128-1381188 19.9 9.421.00 3.29 9.024.19, 0.00, 3.90 19.90.60
salmon139-147965 17.2 7.161.00 3.27 6.339.47, 0.00, 7.53 17.20.65
lime148-16316114 18.0 8.291.00 2.26 7.941.13, 0.00, 6.08 18.00.61
slate164-170765 21.110.021.00 3.15 10.852.37, 19.52, 0.00 21.10.61
bluegreen171-18818128 17.4 7.051.00 4.10 10.6 0.00, 10.86, 15.83 17.40.69
hotpink189-197974 19.2 8.001.00 4.12 7.3 0.00, 24.56, 21.32 19.20.64
orange198-25962446 11.5 3.711.00 2.88 8.4 3.48, 1.22, 0.00 11.50.78
yellowgreen260-2701196 16.8 6.401.00 2.89 11.224.72, 0.01, 0.00 16.80.66
blueviolet271-276645 37.0 8.471.00 3.06 26.257.05, 4.15, 0.00 37.00.77
marine277-29014109 18.2 5.171.00 2.46 9.937.72, 0.62, 0.00 18.20.75
olive291-299982 26.213.691.00 4.26 13.375.45, 9.22, 0.00 26.20.56
purple300-306742 54.715.331.00 3.32 48.338.04, 0.00, 0.00 54.70.73


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
1ABE_CHAINA_NTLS20_BMEAN
Analysis of TLS Group 20 Chain Segments (overall rmsd_b=2.99 and residual=0.44)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2019159 13.6 7.831.00 2.49 7.6 8.83, 0.00, 4.03 13.60.61
green21-3313105 18.7 8.561.00 4.94 -2.928.77, 0.00, 3.86 18.70.65
magenta34-451290 18.1 9.971.00 4.39 6.533.32, 10.53, 0.00 18.10.58
red46-6722150 17.6 6.931.00 3.39 8.1 0.00, 4.79, 9.56 17.60.66
cyan68-9023168 18.6 8.281.00 4.24 7.5 0.00, 16.91, 6.78 18.60.61
yellow91-12131234 19.710.261.00 4.54 12.012.35, 0.00, 2.77 19.70.58
violet122-127656 23.912.061.00 4.18 12.666.62, 0.00, 5.94 23.90.58
purpleblue128-1381188 19.9 9.421.00 3.29 9.024.19, 0.00, 3.90 19.90.60
salmon139-147965 17.2 7.161.00 3.27 6.339.47, 0.00, 7.53 17.20.65
lime148-16316114 18.0 8.291.00 2.26 7.941.13, 0.00, 6.08 18.00.61
slate164-170765 21.110.021.00 3.15 10.852.37, 19.52, 0.00 21.10.61
bluegreen171-179969 18.3 7.531.00 4.19 5.3 0.00, 15.71, 18.86 18.30.67
hotpink180-1901175 17.0 6.621.00 3.09 8.943.51, 0.00, 8.65 17.00.68
orange191-197758 19.2 8.161.00 3.99 7.3 0.00, 27.31, 22.23 19.20.64
yellowgreen198-25962446 11.5 3.711.00 2.88 8.4 3.48, 1.22, 0.00 11.50.78
blueviolet260-2701196 16.8 6.401.00 2.89 11.224.72, 0.01, 0.00 16.80.66
marine271-276645 37.0 8.471.00 3.06 26.257.05, 4.15, 0.00 37.00.77
olive277-29014109 18.2 5.171.00 2.46 9.937.72, 0.62, 0.00 18.20.75
purple291-299982 26.213.691.00 4.26 13.375.45, 9.22, 0.00 26.20.56
teal300-306742 54.715.331.00 3.32 48.338.04, 0.00, 0.00 54.70.73

26 Mar 2010JobID: TLSMD7775_MdtkYfhaTLSMD Version 1.4.1 Released 11 February 2010