30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1

1KP8: Chain D TLS Analysis


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Chain D Optimization Residual
1KP8_CHAIND_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 D

# 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_CHAIND_NTLS1_BMEAN
Analysis of TLS Group 1 Chain Segments (overall rmsd_b=10.38 and residual=9.07)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-5265253855 55.623.001.0010.50 44.2 0.00, 3.82, 0.00 55.60.64


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_CHAIND_NTLS2_BMEAN
Analysis of TLS Group 2 Chain Segments (overall rmsd_b=9.03 and residual=6.87)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-111110785 38.7 9.771.00 6.23 27.9 5.15, 0.00, 0.63 38.70.81
green112-5264153070 59.923.411.0010.10 40.2 3.82, 0.23, 0.00 59.90.64


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
1KP8_CHAIND_NTLS3_BMEAN
Analysis of TLS Group 3 Chain Segments (overall rmsd_b=7.42 and residual=4.64)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1491481059 39.1 9.451.00 6.66 24.8 3.63, 0.73, 0.00 39.10.84
green150-3391901417 77.318.991.00 8.05 47.4 7.75, 2.67, 0.91 77.30.75
magenta340-5261871379 46.015.971.00 8.04 30.4 0.00, 1.91, 3.06 46.00.72


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_CHAIND_NTLS4_BMEAN
Analysis of TLS Group 4 Chain Segments (overall rmsd_b=6.67 and residual=3.75)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-111110785 38.7 9.771.00 6.23 27.9 5.15, 0.00, 0.63 38.70.81
green112-2851741292 69.223.111.00 9.27 58.2 0.00, 4.71, 0.00 69.20.66
magenta286-398113852 69.617.761.00 7.03 45.3 0.00, 4.39, 5.72 69.60.75
red399-526128926 38.1 9.901.00 6.15 27.7 5.74, 0.89, 0.66 38.10.81


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_CHAIND_NTLS5_BMEAN
Analysis of TLS Group 5 Chain Segments (overall rmsd_b=6.16 and residual=3.20)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-101100721 38.610.061.00 6.26 27.3 5.45, 0.00, 0.75 38.60.80
green102-18786611 48.613.861.00 6.84 26.9 9.12, 0.00, 2.95 48.60.75
magenta188-307120901 82.217.921.00 6.61 52.6 0.00, 7.59, 5.05 82.20.77
red308-39891696 68.316.931.00 6.42 47.4 7.27, 0.00, 3.51 68.30.77
cyan399-526128926 38.1 9.901.00 6.15 27.7 5.74, 0.89, 0.66 38.10.81


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_CHAIND_NTLS6_BMEAN
Analysis of TLS Group 6 Chain Segments (overall rmsd_b=5.83 and residual=2.86)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-15072498 38.6 8.561.00 5.33 25.111.43, 0.00, 3.38 38.60.82
magenta151-19343308 59.511.671.00 5.38 46.614.46, 0.00, 6.96 59.50.82
red194-307114858 83.317.511.00 6.47 52.8 0.00, 7.79, 5.22 83.30.78
cyan308-39891696 68.316.931.00 6.42 47.4 7.27, 0.00, 3.51 68.30.77
yellow399-526128926 38.1 9.901.00 6.15 27.7 5.74, 0.89, 0.66 38.10.81


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_CHAIND_NTLS7_BMEAN
Analysis of TLS Group 7 Chain Segments (overall rmsd_b=5.60 and residual=2.64)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-15072498 38.6 8.561.00 5.33 25.111.43, 0.00, 3.38 38.60.82
magenta151-19343308 59.511.671.00 5.38 46.614.46, 0.00, 6.96 59.50.82
red194-307114858 83.317.511.00 6.47 52.8 0.00, 7.79, 5.22 83.30.78
cyan308-39790688 68.416.991.00 6.38 47.7 7.49, 0.00, 3.47 68.40.77
yellow398-44447329 39.2 9.001.00 4.87 27.613.67, 1.67, 0.00 39.20.80
violet445-52682605 37.810.551.00 5.70 24.4 9.70, 0.00, 2.48 37.80.78


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_CHAIND_NTLS8_BMEAN
Analysis of TLS Group 8 Chain Segments (overall rmsd_b=5.43 and residual=2.48)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-15072498 38.6 8.561.00 5.33 25.111.43, 0.00, 3.38 38.60.82
magenta151-19343308 59.511.671.00 5.38 46.614.46, 0.00, 6.96 59.50.82
red194-28390680 84.916.631.00 6.01 53.3 0.00, 4.41, 7.07 84.90.79
cyan284-34360448 77.817.891.00 5.64 53.1 0.00, 8.84, 10.72 77.80.77
yellow344-39754418 62.113.851.00 6.63 46.3 8.54, 0.00, 4.09 62.10.80
violet398-44447329 39.2 9.001.00 4.87 27.613.67, 1.67, 0.00 39.20.80
purpleblue445-52682605 37.810.551.00 5.70 24.4 9.70, 0.00, 2.48 37.80.78


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_CHAIND_NTLS9_BMEAN
Analysis of TLS Group 9 Chain Segments (overall rmsd_b=5.22 and residual=2.29)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-15072498 38.6 8.561.00 5.33 25.111.43, 0.00, 3.38 38.60.82
magenta151-19343308 59.511.671.00 5.38 46.614.46, 0.00, 6.96 59.50.82
red194-28390680 84.916.631.00 6.01 53.3 0.00, 4.41, 7.07 84.90.79
cyan284-33350380 78.818.911.00 5.51 50.7 0.00, 9.47, 8.31 78.80.75
yellow334-36835279 60.610.411.00 5.73 48.022.04, 0.00, 5.30 60.60.84
violet369-40335250 64.316.631.00 4.57 9.5 7.68, 0.00, 1.22 64.30.73
purpleblue404-44441286 37.7 8.441.00 4.70 25.915.02, 0.00, 1.07 37.70.81
salmon445-52682605 37.810.551.00 5.70 24.4 9.70, 0.00, 2.48 37.80.78


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_CHAIND_NTLS10_BMEAN
Analysis of TLS Group 10 Chain Segments (overall rmsd_b=5.06 and residual=2.16)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-15072498 38.6 8.561.00 5.33 25.111.43, 0.00, 3.38 38.60.82
magenta151-19343308 59.511.671.00 5.38 46.614.46, 0.00, 6.96 59.50.82
red194-28390680 84.916.631.00 6.01 53.3 0.00, 4.41, 7.07 84.90.79
cyan284-33350380 78.818.911.00 5.51 50.7 0.00, 9.47, 8.31 78.80.75
yellow334-36835279 60.610.411.00 5.73 48.022.04, 0.00, 5.30 60.60.84
violet369-40335250 64.316.631.00 4.57 9.5 7.68, 0.00, 1.22 64.30.73
purpleblue404-44441286 37.7 8.441.00 4.70 25.915.02, 0.00, 1.07 37.70.81
salmon445-49450370 37.6 8.131.00 4.66 24.5 0.00, 9.55, 6.82 37.60.81
lime495-52632235 38.013.501.00 4.50 30.318.68, 0.00, 0.00 38.00.72


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_CHAIND_NTLS11_BMEAN
Analysis of TLS Group 11 Chain Segments (overall rmsd_b=4.91 and residual=2.03)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-15072498 38.6 8.561.00 5.33 25.111.43, 0.00, 3.38 38.60.82
magenta151-18333231 57.610.961.00 4.26 43.2 0.00, 16.73, 8.79 57.60.82
red184-20926217 72.514.301.00 4.46 52.111.49, 2.93, 0.00 72.50.77
cyan210-28374540 87.116.531.00 6.01 47.5 0.00, 7.87, 5.63 87.10.80
yellow284-33350380 78.818.911.00 5.51 50.7 0.00, 9.47, 8.31 78.80.75
violet334-36835279 60.610.411.00 5.73 48.022.04, 0.00, 5.30 60.60.84
purpleblue369-40335250 64.316.631.00 4.57 9.5 7.68, 0.00, 1.22 64.30.73
salmon404-44441286 37.7 8.441.00 4.70 25.915.02, 0.00, 1.07 37.70.81
lime445-49450370 37.6 8.131.00 4.66 24.5 0.00, 9.55, 6.82 37.60.81
slate495-52632235 38.013.501.00 4.50 30.318.68, 0.00, 0.00 38.00.72


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_CHAIND_NTLS12_BMEAN
Analysis of TLS Group 12 Chain Segments (overall rmsd_b=4.77 and residual=1.92)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-15072498 38.6 8.561.00 5.33 25.111.43, 0.00, 3.38 38.60.82
magenta151-18333231 57.610.961.00 4.26 43.2 0.00, 16.73, 8.79 57.60.82
red184-20926217 72.514.301.00 4.46 52.111.49, 2.93, 0.00 72.50.77
cyan210-28374540 87.116.531.00 6.01 47.5 0.00, 7.87, 5.63 87.10.80
yellow284-33350380 78.818.911.00 5.51 50.7 0.00, 9.47, 8.31 78.80.75
violet334-36027205 62.010.501.00 4.61 46.417.51, 0.00, 5.33 62.00.83
purpleblue361-38828205 61.715.841.00 5.02 44.323.39, 4.72, 0.00 61.70.76
salmon389-41325188 54.718.471.00 3.68-38.824.46, 0.00, 0.98 54.70.66
lime414-45138270 37.1 8.001.00 4.97 26.922.74, 1.59, 0.00 37.10.81
slate452-49443317 37.9 7.681.00 4.31 26.7 0.00, 12.06, 8.56 37.90.82
bluegreen495-52632235 38.013.501.00 4.50 30.318.68, 0.00, 0.00 38.00.72


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_CHAIND_NTLS13_BMEAN
Analysis of TLS Group 13 Chain Segments (overall rmsd_b=4.64 and residual=1.81)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-15072498 38.6 8.561.00 5.33 25.111.43, 0.00, 3.38 38.60.82
magenta151-18333231 57.610.961.00 4.26 43.2 0.00, 16.73, 8.79 57.60.82
red184-20926217 72.514.301.00 4.46 52.111.49, 2.93, 0.00 72.50.77
cyan210-28273532 87.016.651.00 5.99 44.5 0.00, 7.89, 5.15 87.00.80
yellow283-30220148 70.413.611.00 3.79 56.017.57, 2.77, 0.00 70.40.81
violet303-3141293105.8 4.411.00 2.17103.910.19, 0.00, 0.00105.80.96
purpleblue315-36046352 65.611.811.00 4.79 45.6 0.00, 10.63, 4.86 65.60.82
salmon361-38828205 61.715.841.00 5.02 44.323.39, 4.72, 0.00 61.70.76
lime389-41325188 54.718.471.00 3.68-38.824.46, 0.00, 0.98 54.70.66
slate414-45138270 37.1 8.001.00 4.97 26.922.74, 1.59, 0.00 37.10.81
bluegreen452-49443317 37.9 7.681.00 4.31 26.7 0.00, 12.06, 8.56 37.90.82
hotpink495-52632235 38.013.501.00 4.50 30.318.68, 0.00, 0.00 38.00.72


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_CHAIND_NTLS14_BMEAN
Analysis of TLS Group 14 Chain Segments (overall rmsd_b=4.51 and residual=1.72)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-13153368 37.2 8.691.00 4.80 24.8 0.00, 10.42, 5.81 37.20.80
magenta132-15120136 42.9 6.981.00 3.25 36.5 0.00, 27.27, 0.00 42.90.85
red152-18332225 57.711.081.00 4.10 43.417.90, 0.00, 8.19 57.70.82
cyan184-20926217 72.514.301.00 4.46 52.111.49, 2.93, 0.00 72.50.77
yellow210-28273532 87.016.651.00 5.99 44.5 0.00, 7.89, 5.15 87.00.80
violet283-30220148 70.413.611.00 3.79 56.017.57, 2.77, 0.00 70.40.81
purpleblue303-3141293105.8 4.411.00 2.17103.910.19, 0.00, 0.00105.80.96
salmon315-36046352 65.611.811.00 4.79 45.6 0.00, 10.63, 4.86 65.60.82
lime361-38828205 61.715.841.00 5.02 44.323.39, 4.72, 0.00 61.70.76
slate389-41325188 54.718.471.00 3.68-38.824.46, 0.00, 0.98 54.70.66
bluegreen414-45138270 37.1 8.001.00 4.97 26.922.74, 1.59, 0.00 37.10.81
hotpink452-49443317 37.9 7.681.00 4.31 26.7 0.00, 12.06, 8.56 37.90.82
orange495-52632235 38.013.501.00 4.50 30.318.68, 0.00, 0.00 38.00.72


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_CHAIND_NTLS15_BMEAN
Analysis of TLS Group 15 Chain Segments (overall rmsd_b=4.38 and residual=1.61)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-14971490 38.4 8.501.00 5.19 25.311.03, 0.00, 3.32 38.40.82
magenta150-17526185 54.1 8.841.00 3.49 40.623.30, 0.00, 4.96 54.10.84
red176-20025194 65.310.301.00 4.99 52.9 0.00, 5.23, 6.32 65.30.85
cyan201-23030235 83.111.481.00 3.56 63.110.52, 2.68, 0.00 83.10.85
yellow231-24515111 97.3 9.181.00 3.46 92.518.26, 0.00, 0.00 97.30.91
violet246-28237263 86.418.911.00 5.71 78.511.88, 0.00, 0.00 86.40.78
purpleblue283-30220148 70.413.611.00 3.79 56.017.57, 2.77, 0.00 70.40.81
salmon303-3141293105.8 4.411.00 2.17103.910.19, 0.00, 0.00105.80.96
lime315-36046352 65.611.811.00 4.79 45.6 0.00, 10.63, 4.86 65.60.82
slate361-38828205 61.715.841.00 5.02 44.323.39, 4.72, 0.00 61.70.76
bluegreen389-41325188 54.718.471.00 3.68-38.824.46, 0.00, 0.98 54.70.66
hotpink414-45138270 37.1 8.001.00 4.97 26.922.74, 1.59, 0.00 37.10.81
orange452-49443317 37.9 7.681.00 4.31 26.7 0.00, 12.06, 8.56 37.90.82
yellowgreen495-52632235 38.013.501.00 4.50 30.318.68, 0.00, 0.00 38.00.72


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_CHAIND_NTLS16_BMEAN
Analysis of TLS Group 16 Chain Segments (overall rmsd_b=4.24 and residual=1.52)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-14971490 38.4 8.501.00 5.19 25.311.03, 0.00, 3.32 38.40.82
magenta150-17526185 54.1 8.841.00 3.49 40.623.30, 0.00, 4.96 54.10.84
red176-20025194 65.310.301.00 4.99 52.9 0.00, 5.23, 6.32 65.30.85
cyan201-23030235 83.111.481.00 3.56 63.110.52, 2.68, 0.00 83.10.85
yellow231-24515111 97.3 9.181.00 3.46 92.518.26, 0.00, 0.00 97.30.91
violet246-26722160 88.117.611.00 4.96 83.3 0.00, 12.59, 0.00 88.10.77
purpleblue268-28316111 84.119.801.00 3.62 55.1 0.00, 6.91, 13.61 84.10.78
salmon284-30219140 69.313.201.00 3.39 55.419.51, 1.23, 0.00 69.30.81
lime303-3141293105.8 4.411.00 2.17103.910.19, 0.00, 0.00105.80.96
slate315-36046352 65.611.811.00 4.79 45.6 0.00, 10.63, 4.86 65.60.82
bluegreen361-38828205 61.715.841.00 5.02 44.323.39, 4.72, 0.00 61.70.76
hotpink389-41325188 54.718.471.00 3.68-38.824.46, 0.00, 0.98 54.70.66
orange414-45138270 37.1 8.001.00 4.97 26.922.74, 1.59, 0.00 37.10.81
yellowgreen452-49443317 37.9 7.681.00 4.31 26.7 0.00, 12.06, 8.56 37.90.82
blueviolet495-52632235 38.013.501.00 4.50 30.318.68, 0.00, 0.00 38.00.72


Summary of Optimal TLS Group Partition using 17 Groups
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structimageClick on image for expanded view
1KP8_CHAIND_NTLS17_BMEAN
Analysis of TLS Group 17 Chain Segments (overall rmsd_b=4.12 and residual=1.43)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 39.610.161.00 5.80 33.2 9.41, 0.00, 0.00 39.60.80
green79-13153368 37.2 8.691.00 4.80 24.8 0.00, 10.42, 5.81 37.20.80
magenta132-15120136 42.9 6.981.00 3.25 36.5 0.00, 27.27, 0.00 42.90.85
red152-17524171 54.4 9.141.00 3.12 40.823.39, 0.00, 8.43 54.40.83
cyan176-20025194 65.310.301.00 4.99 52.9 0.00, 5.23, 6.32 65.30.85
yellow201-23030235 83.111.481.00 3.56 63.110.52, 2.68, 0.00 83.10.85
violet231-24515111 97.3 9.181.00 3.46 92.518.26, 0.00, 0.00 97.30.91
purpleblue246-26722160 88.117.611.00 4.96 83.3 0.00, 12.59, 0.00 88.10.77
salmon268-28316111 84.119.801.00 3.62 55.1 0.00, 6.91, 13.61 84.10.78
lime284-30219140 69.313.201.00 3.39 55.419.51, 1.23, 0.00 69.30.81
slate303-3141293105.8 4.411.00 2.17103.910.19, 0.00, 0.00105.80.96
bluegreen315-36046352 65.611.811.00 4.79 45.6 0.00, 10.63, 4.86 65.60.82
hotpink361-38828205 61.715.841.00 5.02 44.323.39, 4.72, 0.00 61.70.76
orange389-41325188 54.718.471.00 3.68-38.824.46, 0.00, 0.98 54.70.66
yellowgreen414-45138270 37.1 8.001.00 4.97 26.922.74, 1.59, 0.00 37.10.81
blueviolet452-49443317 37.9 7.681.00 4.31 26.7 0.00, 12.06, 8.56 37.90.82
marine495-52632235 38.013.501.00 4.50 30.318.68, 0.00, 0.00 38.00.72


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_CHAIND_NTLS18_BMEAN
Analysis of TLS Group 18 Chain Segments (overall rmsd_b=4.01 and residual=1.35)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-4847338 38.911.281.00 4.78 30.8 9.79, 0.00, 0.00 38.90.74
green49-7830231 40.7 8.121.00 4.19 31.118.35, 4.35, 0.00 40.70.83
magenta79-13153368 37.2 8.691.00 4.80 24.8 0.00, 10.42, 5.81 37.20.80
red132-15120136 42.9 6.981.00 3.25 36.5 0.00, 27.27, 0.00 42.90.85
cyan152-17524171 54.4 9.141.00 3.12 40.823.39, 0.00, 8.43 54.40.83
yellow176-20025194 65.310.301.00 4.99 52.9 0.00, 5.23, 6.32 65.30.85
violet201-23030235 83.111.481.00 3.56 63.110.52, 2.68, 0.00 83.10.85
purpleblue231-24515111 97.3 9.181.00 3.46 92.518.26, 0.00, 0.00 97.30.91
salmon246-26722160 88.117.611.00 4.96 83.3 0.00, 12.59, 0.00 88.10.77
lime268-28316111 84.119.801.00 3.62 55.1 0.00, 6.91, 13.61 84.10.78
slate284-30219140 69.313.201.00 3.39 55.419.51, 1.23, 0.00 69.30.81
bluegreen303-3141293105.8 4.411.00 2.17103.910.19, 0.00, 0.00105.80.96
hotpink315-36046352 65.611.811.00 4.79 45.6 0.00, 10.63, 4.86 65.60.82
orange361-38828205 61.715.841.00 5.02 44.323.39, 4.72, 0.00 61.70.76
yellowgreen389-41325188 54.718.471.00 3.68-38.824.46, 0.00, 0.98 54.70.66
blueviolet414-45138270 37.1 8.001.00 4.97 26.922.74, 1.59, 0.00 37.10.81
marine452-49443317 37.9 7.681.00 4.31 26.7 0.00, 12.06, 8.56 37.90.82
olive495-52632235 38.013.501.00 4.50 30.318.68, 0.00, 0.00 38.00.72


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_CHAIND_NTLS19_BMEAN
Analysis of TLS Group 19 Chain Segments (overall rmsd_b=3.89 and residual=1.28)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-4847338 38.911.281.00 4.78 30.8 9.79, 0.00, 0.00 38.90.74
green49-7830231 40.7 8.121.00 4.19 31.118.35, 4.35, 0.00 40.70.83
magenta79-13153368 37.2 8.691.00 4.80 24.8 0.00, 10.42, 5.81 37.20.80
red132-15120136 42.9 6.981.00 3.25 36.5 0.00, 27.27, 0.00 42.90.85
cyan152-17524171 54.4 9.141.00 3.12 40.823.39, 0.00, 8.43 54.40.83
yellow176-20025194 65.310.301.00 4.99 52.9 0.00, 5.23, 6.32 65.30.85
violet201-23030235 83.111.481.00 3.56 63.110.52, 2.68, 0.00 83.10.85
purpleblue231-24515111 97.3 9.181.00 3.46 92.518.26, 0.00, 0.00 97.30.91
salmon246-26722160 88.117.611.00 4.96 83.3 0.00, 12.59, 0.00 88.10.77
lime268-28316111 84.119.801.00 3.62 55.1 0.00, 6.91, 13.61 84.10.78
slate284-30219140 69.313.201.00 3.39 55.419.51, 1.23, 0.00 69.30.81
bluegreen303-3141293105.8 4.411.00 2.17103.910.19, 0.00, 0.00105.80.96
hotpink315-36046352 65.611.811.00 4.79 45.6 0.00, 10.63, 4.86 65.60.82
orange361-38020152 53.6 7.661.00 4.07 46.826.70, 0.31, 0.00 53.60.87
yellowgreen381-40121160 72.515.311.00 4.11 69.3 0.00, 21.87, 0.00 72.50.78
blueviolet402-42221139 36.3 9.091.00 2.85 26.3 9.02, 2.33, 0.00 36.30.77
marine423-45129212 38.4 8.341.00 4.45 24.424.72, 1.49, 0.00 38.40.81
olive452-49443317 37.9 7.681.00 4.31 26.7 0.00, 12.06, 8.56 37.90.82
purple495-52632235 38.013.501.00 4.50 30.318.68, 0.00, 0.00 38.00.72


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_CHAIND_NTLS20_BMEAN
Analysis of TLS Group 20 Chain Segments (overall rmsd_b=3.77 and residual=1.20)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-4847338 38.911.281.00 4.78 30.8 9.79, 0.00, 0.00 38.90.74
green49-7830231 40.7 8.121.00 4.19 31.118.35, 4.35, 0.00 40.70.83
magenta79-13153368 37.2 8.691.00 4.80 24.8 0.00, 10.42, 5.81 37.20.80
red132-15120136 42.9 6.981.00 3.25 36.5 0.00, 27.27, 0.00 42.90.85
cyan152-17524171 54.4 9.141.00 3.12 40.823.39, 0.00, 8.43 54.40.83
yellow176-20025194 65.310.301.00 4.99 52.9 0.00, 5.23, 6.32 65.30.85
violet201-23030235 83.111.481.00 3.56 63.110.52, 2.68, 0.00 83.10.85
purpleblue231-24515111 97.3 9.181.00 3.46 92.518.26, 0.00, 0.00 97.30.91
salmon246-26722160 88.117.611.00 4.96 83.3 0.00, 12.59, 0.00 88.10.77
lime268-28316111 84.119.801.00 3.62 55.1 0.00, 6.91, 13.61 84.10.78
slate284-30219140 69.313.201.00 3.39 55.419.51, 1.23, 0.00 69.30.81
bluegreen303-3141293105.8 4.411.00 2.17103.910.19, 0.00, 0.00105.80.96
hotpink315-34531230 70.211.211.00 4.15 46.112.27, 0.35, 2.88 70.20.85
orange346-36116130 57.3 7.401.00 4.48 53.1 0.00, 20.38, 0.00 57.30.88
yellowgreen362-37817127 52.9 7.581.00 3.43 48.031.80, 0.00, 0.00 52.90.87
blueviolet379-40123177 70.815.531.00 4.49 68.5 0.00, 10.33, 0.00 70.80.76
marine402-42221139 36.3 9.091.00 2.85 26.3 9.02, 2.33, 0.00 36.30.77
olive423-45129212 38.4 8.341.00 4.45 24.424.72, 1.49, 0.00 38.40.81
purple452-49443317 37.9 7.681.00 4.31 26.7 0.00, 12.06, 8.56 37.90.82
teal495-52632235 38.013.501.00 4.50 30.318.68, 0.00, 0.00 38.00.72

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