30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1

1KP8: Chain M TLS Analysis


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Chain M Optimization Residual
1KP8_CHAINM_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 M

# 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
1KP8_CHAINM_NTLS1_BMEAN
Analysis of TLS Group 1 Chain Segments (overall rmsd_b=13.32 and residual=14.95)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-5265253855 86.543.041.0013.39-116.1 3.91, 0.00, 0.55 86.50.56


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
1KP8_CHAINM_NTLS2_BMEAN
Analysis of TLS Group 2 Chain Segments (overall rmsd_b=10.14 and residual=8.66)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-128127911 43.010.001.00 6.73 33.6 3.99, 1.72, 0.00 43.00.83
green129-5263982944 99.940.351.0012.43-50.7 0.00, 0.73, 3.73 99.90.62


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
1KP8_CHAINM_NTLS3_BMEAN
Analysis of TLS Group 3 Chain Segments (overall rmsd_b=6.88 and residual=3.99)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-138137985 44.811.641.00 6.67 34.5 4.51, 1.54, 0.00 44.80.80
green139-3952571920126.220.531.00 7.68 75.5 5.76, 1.18, 0.00126.20.82
magenta396-526131950 49.412.801.00 6.11 32.4 6.05, 2.17, 0.04 49.40.77


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
1KP8_CHAINM_NTLS4_BMEAN
Analysis of TLS Group 4 Chain Segments (overall rmsd_b=6.21 and residual=3.25)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-128127911 43.010.001.00 6.73 33.6 3.99, 1.72, 0.00 43.00.83
green129-3352071536123.624.731.00 6.58108.5 2.55, 0.33, 0.00123.60.78
magenta336-39560458125.416.201.00 5.74102.0 7.27, 3.96, 0.00125.40.86
red396-526131950 49.412.801.00 6.11 32.4 6.05, 2.17, 0.04 49.40.77


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
1KP8_CHAINM_NTLS5_BMEAN
Analysis of TLS Group 5 Chain Segments (overall rmsd_b=5.61 and residual=2.65)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-104103742 42.910.471.00 6.21 33.6 6.86, 1.03, 0.00 42.90.80
green105-18480565 77.226.211.00 5.89 35.6 6.99, 0.00, 2.26 77.20.66
magenta185-3351511140134.715.851.00 5.35129.7 3.18, 0.00, 0.00134.70.86
red336-39560458125.416.201.00 5.74102.0 7.27, 3.96, 0.00125.40.86
cyan396-526131950 49.412.801.00 6.11 32.4 6.05, 2.17, 0.04 49.40.77


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
1KP8_CHAINM_NTLS6_BMEAN
Analysis of TLS Group 6 Chain Segments (overall rmsd_b=5.29 and residual=2.36)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-104103742 42.910.471.00 6.21 33.6 6.86, 1.03, 0.00 42.90.80
green105-18480565 77.226.211.00 5.89 35.6 6.99, 0.00, 2.26 77.20.66
magenta185-3221381044136.415.271.00 5.29132.3 2.57, 0.00, 0.25136.40.87
red323-36745352132.212.401.00 3.49 98.8 0.00, 1.84, 2.81132.20.89
cyan368-40841298 98.017.871.00 5.73 90.6 0.00, 6.99, 0.00 98.00.82
yellow409-526118854 46.6 9.661.00 5.79 33.7 5.28, 0.00, 2.39 46.60.82


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
1KP8_CHAINM_NTLS7_BMEAN
Analysis of TLS Group 7 Chain Segments (overall rmsd_b=4.98 and residual=2.09)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7271524 42.410.411.00 5.69 35.110.22, 0.00, 0.00 42.40.81
green73-12856387 43.8 9.361.00 4.71 34.1 0.00, 5.01, 7.30 43.80.81
magenta129-20375552 98.518.381.00 5.33 49.7 6.74, 1.49, 0.00 98.50.80
red204-303100741139.113.871.00 4.75138.2 0.00, 0.97, 0.00139.10.88
cyan304-36764499135.812.531.00 3.77129.4 3.78, 0.21, 0.00135.80.89
yellow368-40841298 98.017.871.00 5.73 90.6 0.00, 6.99, 0.00 98.00.82
violet409-526118854 46.6 9.661.00 5.79 33.7 5.28, 0.00, 2.39 46.60.82


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
1KP8_CHAINM_NTLS8_BMEAN
Analysis of TLS Group 8 Chain Segments (overall rmsd_b=4.75 and residual=1.90)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7271524 42.410.411.00 5.69 35.110.22, 0.00, 0.00 42.40.81
green73-12856387 43.8 9.361.00 4.71 34.1 0.00, 5.01, 7.30 43.80.81
magenta129-20375552 98.518.381.00 5.33 49.7 6.74, 1.49, 0.00 98.50.80
red204-303100741139.113.871.00 4.75138.2 0.00, 0.97, 0.00139.10.88
cyan304-36764499135.812.531.00 3.77129.4 3.78, 0.21, 0.00135.80.89
yellow368-40841298 98.017.871.00 5.73 90.6 0.00, 6.99, 0.00 98.00.82
violet409-48274525 45.8 8.001.00 4.99 35.5 5.75, 0.00, 2.02 45.80.85
purpleblue483-52644329 47.911.731.00 4.85 32.011.89, 0.00, 0.90 47.90.78


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
1KP8_CHAINM_NTLS9_BMEAN
Analysis of TLS Group 9 Chain Segments (overall rmsd_b=4.53 and residual=1.73)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7271524 42.410.411.00 5.69 35.110.22, 0.00, 0.00 42.40.81
green73-12856387 43.8 9.361.00 4.71 34.1 0.00, 5.01, 7.30 43.80.81
magenta129-20375552 98.518.381.00 5.33 49.7 6.74, 1.49, 0.00 98.50.80
red204-27370527145.9 9.091.00 3.82145.1 0.00, 1.26, 0.00145.90.93
cyan274-29926184119.9 5.931.00 2.22113.9 8.93, 3.60, 0.00119.90.95
yellow300-36768529135.912.201.00 3.80129.2 3.92, 0.36, 0.00135.90.89
violet368-40841298 98.017.871.00 5.73 90.6 0.00, 6.99, 0.00 98.00.82
purpleblue409-48274525 45.8 8.001.00 4.99 35.5 5.75, 0.00, 2.02 45.80.85
salmon483-52644329 47.911.731.00 4.85 32.011.89, 0.00, 0.90 47.90.78


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
1KP8_CHAINM_NTLS10_BMEAN
Analysis of TLS Group 10 Chain Segments (overall rmsd_b=4.31 and residual=1.57)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7271524 42.410.411.00 5.69 35.110.22, 0.00, 0.00 42.40.81
green73-12856387 43.8 9.361.00 4.71 34.1 0.00, 5.01, 7.30 43.80.81
magenta129-20375552 98.518.381.00 5.33 49.7 6.74, 1.49, 0.00 98.50.80
red204-27370527145.9 9.091.00 3.82145.1 0.00, 1.26, 0.00145.90.93
cyan274-29926184119.9 5.931.00 2.22113.9 8.93, 3.60, 0.00119.90.95
yellow300-35657433137.012.911.00 3.52130.9 0.00, 4.44, 0.00137.00.88
violet357-38832238118.412.041.00 2.77100.9 3.08, 0.52, 0.00118.40.91
purpleblue389-41325188 81.021.671.00 3.05 75.3 0.00, 14.09, 0.00 81.00.73
salmon414-48269493 45.5 8.011.00 5.03 35.0 6.65, 0.00, 2.63 45.50.85
lime483-52644329 47.911.731.00 4.85 32.011.89, 0.00, 0.90 47.90.78


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
1KP8_CHAINM_NTLS11_BMEAN
Analysis of TLS Group 11 Chain Segments (overall rmsd_b=4.09 and residual=1.41)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7271524 42.410.411.00 5.69 35.110.22, 0.00, 0.00 42.40.81
green73-15078543 53.117.571.00 5.21 33.1 0.00, 4.68, 8.93 53.10.69
magenta151-18333231100.5 9.741.00 3.72 86.4 5.79, 0.00, 2.66100.50.90
red184-21835279124.612.071.00 3.58101.2 3.25, 0.00, 0.00124.60.89
cyan219-27254406148.8 8.201.00 3.75147.8 1.85, 0.00, 0.00148.80.94
yellow273-30331221123.0 8.941.00 2.83116.2 8.39, 3.39, 0.00123.00.92
violet304-36057436137.012.911.00 3.44131.0 3.73, 0.02, 0.00137.00.88
purpleblue361-38828205115.4 9.831.00 2.85101.7 3.30, 0.62, 0.00115.40.92
salmon389-41325188 81.021.671.00 3.05 75.3 0.00, 14.09, 0.00 81.00.73
lime414-48269493 45.5 8.011.00 5.03 35.0 6.65, 0.00, 2.63 45.50.85
slate483-52644329 47.911.731.00 4.85 32.011.89, 0.00, 0.90 47.90.78


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
1KP8_CHAINM_NTLS12_BMEAN
Analysis of TLS Group 12 Chain Segments (overall rmsd_b=3.91 and residual=1.29)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7271524 42.410.411.00 5.69 35.110.22, 0.00, 0.00 42.40.81
green73-15078543 53.117.571.00 5.21 33.1 0.00, 4.68, 8.93 53.10.69
magenta151-18333231100.5 9.741.00 3.72 86.4 5.79, 0.00, 2.66100.50.90
red184-21835279124.612.071.00 3.58101.2 3.25, 0.00, 0.00124.60.89
cyan219-27254406148.8 8.201.00 3.75147.8 1.85, 0.00, 0.00148.80.94
yellow273-30331221123.0 8.941.00 2.83116.2 8.39, 3.39, 0.00123.00.92
violet304-36057436137.012.911.00 3.44131.0 3.73, 0.02, 0.00137.00.88
purpleblue361-38828205115.4 9.831.00 2.85101.7 3.30, 0.62, 0.00115.40.92
salmon389-41325188 81.021.671.00 3.05 75.3 0.00, 14.09, 0.00 81.00.73
lime414-45037262 45.2 8.031.00 4.46 35.619.20, 0.00, 2.39 45.20.84
slate451-49444325 48.4 8.541.00 4.19 35.1 0.00, 7.47, 7.99 48.40.83
bluegreen495-52632235 45.012.241.00 4.63 36.2 0.00, 18.87, 0.00 45.00.78


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
1KP8_CHAINM_NTLS13_BMEAN
Analysis of TLS Group 13 Chain Segments (overall rmsd_b=3.73 and residual=1.17)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.4 6.741.00 4.72 39.1 0.00, 18.06, 0.00 43.40.88
green18-7255409 42.211.221.00 5.02 32.5 9.94, 1.57, 0.00 42.20.77
magenta73-15078543 53.117.571.00 5.21 33.1 0.00, 4.68, 8.93 53.10.69
red151-18333231100.5 9.741.00 3.72 86.4 5.79, 0.00, 2.66100.50.90
cyan184-21835279124.612.071.00 3.58101.2 3.25, 0.00, 0.00124.60.89
yellow219-27254406148.8 8.201.00 3.75147.8 1.85, 0.00, 0.00148.80.94
violet273-30331221123.0 8.941.00 2.83116.2 8.39, 3.39, 0.00123.00.92
purpleblue304-36057436137.012.911.00 3.44131.0 3.73, 0.02, 0.00137.00.88
salmon361-38828205115.4 9.831.00 2.85101.7 3.30, 0.62, 0.00115.40.92
lime389-41325188 81.021.671.00 3.05 75.3 0.00, 14.09, 0.00 81.00.73
slate414-45037262 45.2 8.031.00 4.46 35.619.20, 0.00, 2.39 45.20.84
bluegreen451-49444325 48.4 8.541.00 4.19 35.1 0.00, 7.47, 7.99 48.40.83
hotpink495-52632235 45.012.241.00 4.63 36.2 0.00, 18.87, 0.00 45.00.78


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
1KP8_CHAINM_NTLS14_BMEAN
Analysis of TLS Group 14 Chain Segments (overall rmsd_b=3.58 and residual=1.08)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.4 6.741.00 4.72 39.1 0.00, 18.06, 0.00 43.40.88
green18-7255409 42.211.221.00 5.02 32.5 9.94, 1.57, 0.00 42.20.77
magenta73-12856387 43.8 9.361.00 4.71 34.1 0.00, 5.01, 7.30 43.80.81
red129-15224167 77.010.571.00 3.24 61.316.73, 3.23, 0.00 77.00.84
cyan153-18331220101.1 9.601.00 3.50 82.4 8.15, 0.00, 0.83101.10.91
yellow184-21835279124.612.071.00 3.58101.2 3.25, 0.00, 0.00124.60.89
violet219-27254406148.8 8.201.00 3.75147.8 1.85, 0.00, 0.00148.80.94
purpleblue273-30331221123.0 8.941.00 2.83116.2 8.39, 3.39, 0.00123.00.92
salmon304-36057436137.012.911.00 3.44131.0 3.73, 0.02, 0.00137.00.88
lime361-38828205115.4 9.831.00 2.85101.7 3.30, 0.62, 0.00115.40.92
slate389-41325188 81.021.671.00 3.05 75.3 0.00, 14.09, 0.00 81.00.73
bluegreen414-45037262 45.2 8.031.00 4.46 35.619.20, 0.00, 2.39 45.20.84
hotpink451-49444325 48.4 8.541.00 4.19 35.1 0.00, 7.47, 7.99 48.40.83
orange495-52632235 45.012.241.00 4.63 36.2 0.00, 18.87, 0.00 45.00.78


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
1KP8_CHAINM_NTLS15_BMEAN
Analysis of TLS Group 15 Chain Segments (overall rmsd_b=3.45 and residual=1.00)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.4 6.741.00 4.72 39.1 0.00, 18.06, 0.00 43.40.88
green18-6750375 42.811.501.00 5.00 33.0 9.62, 2.17, 0.00 42.80.76
magenta68-9932216 43.510.731.00 3.61 41.4 0.00, 5.50, 0.00 43.50.75
red100-12829205 42.7 7.441.00 3.82 32.320.19, 2.65, 0.00 42.70.84
cyan129-15224167 77.010.571.00 3.24 61.316.73, 3.23, 0.00 77.00.84
yellow153-18331220101.1 9.601.00 3.50 82.4 8.15, 0.00, 0.83101.10.91
violet184-21835279124.612.071.00 3.58101.2 3.25, 0.00, 0.00124.60.89
purpleblue219-27254406148.8 8.201.00 3.75147.8 1.85, 0.00, 0.00148.80.94
salmon273-30331221123.0 8.941.00 2.83116.2 8.39, 3.39, 0.00123.00.92
lime304-36057436137.012.911.00 3.44131.0 3.73, 0.02, 0.00137.00.88
slate361-38828205115.4 9.831.00 2.85101.7 3.30, 0.62, 0.00115.40.92
bluegreen389-41325188 81.021.671.00 3.05 75.3 0.00, 14.09, 0.00 81.00.73
hotpink414-45037262 45.2 8.031.00 4.46 35.619.20, 0.00, 2.39 45.20.84
orange451-49444325 48.4 8.541.00 4.19 35.1 0.00, 7.47, 7.99 48.40.83
yellowgreen495-52632235 45.012.241.00 4.63 36.2 0.00, 18.87, 0.00 45.00.78


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
1KP8_CHAINM_NTLS16_BMEAN
Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.32 and residual=0.93)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.4 6.741.00 4.72 39.1 0.00, 18.06, 0.00 43.40.88
green18-6750375 42.811.501.00 5.00 33.0 9.62, 2.17, 0.00 42.80.76
magenta68-9932216 43.510.731.00 3.61 41.4 0.00, 5.50, 0.00 43.50.75
red100-12829205 42.7 7.441.00 3.82 32.320.19, 2.65, 0.00 42.70.84
cyan129-15224167 77.010.571.00 3.24 61.316.73, 3.23, 0.00 77.00.84
yellow153-18331220101.1 9.601.00 3.50 82.4 8.15, 0.00, 0.83101.10.91
violet184-21835279124.612.071.00 3.58101.2 3.25, 0.00, 0.00124.60.89
purpleblue219-27254406148.8 8.201.00 3.75147.8 1.85, 0.00, 0.00148.80.94
salmon273-30331221123.0 8.941.00 2.83116.2 8.39, 3.39, 0.00123.00.92
lime304-36057436137.012.911.00 3.44131.0 3.73, 0.02, 0.00137.00.88
slate361-38828205115.4 9.831.00 2.85101.7 3.30, 0.62, 0.00115.40.92
bluegreen389-41325188 81.021.671.00 3.05 75.3 0.00, 14.09, 0.00 81.00.73
hotpink414-44835250 45.7 7.891.00 4.39 36.621.80, 0.00, 2.91 45.70.85
orange449-48234243 45.3 8.121.00 3.70 30.7 0.00, 4.49, 9.38 45.30.83
yellowgreen483-51432238 47.7 8.151.00 3.11 6.7 6.70, 0.00, 0.57 47.70.82
blueviolet515-5261291 48.417.981.00 3.50 28.919.21, 6.50, 0.00 48.40.65


Summary of Optimal TLS Group Partition using 17 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
1KP8_CHAINM_NTLS17_BMEAN
Analysis of TLS Group 17 Chain Segments (overall rmsd_b=3.19 and residual=0.86)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.4 6.741.00 4.72 39.1 0.00, 18.06, 0.00 43.40.88
green18-6750375 42.811.501.00 5.00 33.0 9.62, 2.17, 0.00 42.80.76
magenta68-9932216 43.510.731.00 3.61 41.4 0.00, 5.50, 0.00 43.50.75
red100-12829205 42.7 7.441.00 3.82 32.320.19, 2.65, 0.00 42.70.84
cyan129-15224167 77.010.571.00 3.24 61.316.73, 3.23, 0.00 77.00.84
yellow153-17927197 98.7 6.741.00 3.58 86.1 8.49, 0.00, 1.37 98.70.93
violet180-20122169115.5 7.191.00 2.02 99.3 5.40, 0.00, 0.93115.50.93
purpleblue202-22726207137.1 3.611.00 1.70130.0 2.66, 1.29, 0.00137.10.97
salmon228-27346339150.6 7.661.00 3.89149.7 0.00, 1.94, 0.00150.60.94
lime274-29926184119.9 5.931.00 2.22113.9 8.93, 3.60, 0.00119.90.95
slate300-35657433137.012.911.00 3.52130.9 0.00, 4.44, 0.00137.00.88
bluegreen357-38832238118.412.041.00 2.77100.9 3.08, 0.52, 0.00118.40.91
hotpink389-41325188 81.021.671.00 3.05 75.3 0.00, 14.09, 0.00 81.00.73
orange414-44835250 45.7 7.891.00 4.39 36.621.80, 0.00, 2.91 45.70.85
yellowgreen449-48234243 45.3 8.121.00 3.70 30.7 0.00, 4.49, 9.38 45.30.83
blueviolet483-51432238 47.7 8.151.00 3.11 6.7 6.70, 0.00, 0.57 47.70.82
marine515-5261291 48.417.981.00 3.50 28.919.21, 6.50, 0.00 48.40.65


Summary of Optimal TLS Group Partition using 18 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
1KP8_CHAINM_NTLS18_BMEAN
Analysis of TLS Group 18 Chain Segments (overall rmsd_b=3.10 and residual=0.81)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.4 6.741.00 4.72 39.1 0.00, 18.06, 0.00 43.40.88
green18-5336259 42.012.341.00 4.59 32.7 9.77, 0.00, 2.61 42.00.74
magenta54-7421165 42.6 8.531.00 3.94 32.026.22, 5.94, 0.00 42.60.82
red75-9925167 45.211.451.00 2.89 23.0 6.29, 0.00, 1.19 45.20.75
cyan100-12829205 42.7 7.441.00 3.82 32.320.19, 2.65, 0.00 42.70.84
yellow129-15224167 77.010.571.00 3.24 61.316.73, 3.23, 0.00 77.00.84
violet153-17927197 98.7 6.741.00 3.58 86.1 8.49, 0.00, 1.37 98.70.93
purpleblue180-20122169115.5 7.191.00 2.02 99.3 5.40, 0.00, 0.93115.50.93
salmon202-22726207137.1 3.611.00 1.70130.0 2.66, 1.29, 0.00137.10.97
lime228-27346339150.6 7.661.00 3.89149.7 0.00, 1.94, 0.00150.60.94
slate274-29926184119.9 5.931.00 2.22113.9 8.93, 3.60, 0.00119.90.95
bluegreen300-35657433137.012.911.00 3.52130.9 0.00, 4.44, 0.00137.00.88
hotpink357-38832238118.412.041.00 2.77100.9 3.08, 0.52, 0.00118.40.91
orange389-41325188 81.021.671.00 3.05 75.3 0.00, 14.09, 0.00 81.00.73
yellowgreen414-44835250 45.7 7.891.00 4.39 36.621.80, 0.00, 2.91 45.70.85
blueviolet449-48234243 45.3 8.121.00 3.70 30.7 0.00, 4.49, 9.38 45.30.83
marine483-51432238 47.7 8.151.00 3.11 6.7 6.70, 0.00, 0.57 47.70.82
olive515-5261291 48.417.981.00 3.50 28.919.21, 6.50, 0.00 48.40.65


Summary of Optimal TLS Group Partition using 19 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
1KP8_CHAINM_NTLS19_BMEAN
Analysis of TLS Group 19 Chain Segments (overall rmsd_b=3.00 and residual=0.76)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.4 6.741.00 4.72 39.1 0.00, 18.06, 0.00 43.40.88
green18-5336259 42.012.341.00 4.59 32.7 9.77, 0.00, 2.61 42.00.74
magenta54-7421165 42.6 8.531.00 3.94 32.026.22, 5.94, 0.00 42.60.82
red75-9925167 45.211.451.00 2.89 23.0 6.29, 0.00, 1.19 45.20.75
cyan100-12829205 42.7 7.441.00 3.82 32.320.19, 2.65, 0.00 42.70.84
yellow129-15224167 77.010.571.00 3.24 61.316.73, 3.23, 0.00 77.00.84
violet153-17927197 98.7 6.741.00 3.58 86.1 8.49, 0.00, 1.37 98.70.93
purpleblue180-20122169115.5 7.191.00 2.02 99.3 5.40, 0.00, 0.93115.50.93
salmon202-22726207137.1 3.611.00 1.70130.0 2.66, 1.29, 0.00137.10.97
lime228-27346339150.6 7.661.00 3.89149.7 0.00, 1.94, 0.00150.60.94
slate274-29926184119.9 5.931.00 2.22113.9 8.93, 3.60, 0.00119.90.95
bluegreen300-35657433137.012.911.00 3.52130.9 0.00, 4.44, 0.00137.00.88
hotpink357-38832238118.412.041.00 2.77100.9 3.08, 0.52, 0.00118.40.91
orange389-40113107 95.615.481.00 2.62 48.9 7.24, 2.29, 0.00 95.60.83
yellowgreen402-42322144 54.211.921.00 2.26 41.5 8.77, 1.31, 0.00 54.20.80
blueviolet424-44724178 46.1 8.981.00 3.63 33.921.04, 0.00, 5.95 46.10.83
marine448-48235252 45.2 8.071.00 3.73 30.0 0.00, 4.11, 10.12 45.20.83
olive483-51432238 47.7 8.151.00 3.11 6.7 6.70, 0.00, 0.57 47.70.82
purple515-5261291 48.417.981.00 3.50 28.919.21, 6.50, 0.00 48.40.65


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
1KP8_CHAINM_NTLS20_BMEAN
Analysis of TLS Group 20 Chain Segments (overall rmsd_b=2.92 and residual=0.72)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.4 6.741.00 4.72 39.1 0.00, 18.06, 0.00 43.40.88
green18-5336259 42.012.341.00 4.59 32.7 9.77, 0.00, 2.61 42.00.74
magenta54-7421165 42.6 8.531.00 3.94 32.026.22, 5.94, 0.00 42.60.82
red75-9925167 45.211.451.00 2.89 23.0 6.29, 0.00, 1.19 45.20.75
cyan100-12829205 42.7 7.441.00 3.82 32.320.19, 2.65, 0.00 42.70.84
yellow129-15224167 77.010.571.00 3.24 61.316.73, 3.23, 0.00 77.00.84
violet153-17927197 98.7 6.741.00 3.58 86.1 8.49, 0.00, 1.37 98.70.93
purpleblue180-20122169115.5 7.191.00 2.02 99.3 5.40, 0.00, 0.93115.50.93
salmon202-22726207137.1 3.611.00 1.70130.0 2.66, 1.29, 0.00137.10.97
lime228-27245332150.8 7.651.00 3.88150.0 0.00, 1.71, 0.00150.80.94
slate273-30331221123.0 8.941.00 2.83116.2 8.39, 3.39, 0.00123.00.92
bluegreen304-32219147144.5 7.671.00 2.33144.1 1.27, 0.00, 0.00144.50.94
hotpink323-35634256132.614.001.00 2.75129.8 4.22, 0.26, 0.00132.60.87
orange357-38832238118.412.041.00 2.77100.9 3.08, 0.52, 0.00118.40.91
yellowgreen389-40113107 95.615.481.00 2.62 48.9 7.24, 2.29, 0.00 95.60.83
blueviolet402-42322144 54.211.921.00 2.26 41.5 8.77, 1.31, 0.00 54.20.80
marine424-44724178 46.1 8.981.00 3.63 33.921.04, 0.00, 5.95 46.10.83
olive448-48235252 45.2 8.071.00 3.73 30.0 0.00, 4.11, 10.12 45.20.83
purple483-51432238 47.7 8.151.00 3.11 6.7 6.70, 0.00, 0.57 47.70.82
teal515-5261291 48.417.981.00 3.50 28.919.21, 6.50, 0.00 48.40.65

30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1 Released 11 February 2010