30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1

1KP8: Chain J TLS Analysis


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Chain J Optimization Residual
1KP8_CHAINJ_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 J

# 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_CHAINJ_NTLS1_BMEAN
Analysis of TLS Group 1 Chain Segments (overall rmsd_b=12.92 and residual=14.06)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-5265253855 81.737.531.0013.04 66.4 3.57, 0.37, 0.00 81.70.59


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_CHAINJ_NTLS2_BMEAN
Analysis of TLS Group 2 Chain Segments (overall rmsd_b=9.56 and residual=7.70)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-137136979 45.410.231.00 6.64 37.2 3.79, 1.28, 0.00 45.40.83
green138-5263892876 94.035.421.0012.49 79.7 3.84, 0.29, 0.00 94.00.65


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_CHAINJ_NTLS3_BMEAN
Analysis of TLS Group 3 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>
blue2-138137985 45.610.491.00 6.63 37.2 3.80, 1.34, 0.00 45.60.83
green139-3952571920116.118.001.00 6.36 56.2 6.32, 0.66, 0.00116.10.83
magenta396-526131950 49.412.771.00 6.21 33.0 5.95, 2.14, 0.00 49.40.78


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_CHAINJ_NTLS4_BMEAN
Analysis of TLS Group 4 Chain Segments (overall rmsd_b=5.74 and residual=2.77)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 44.7 9.721.00 5.37 38.110.51, 0.00, 0.00 44.70.83
green79-15678540 54.817.901.00 5.24 32.412.14, 4.49, 0.00 54.80.69
magenta157-3952391796118.515.891.00 6.11 77.7 6.08, 0.94, 0.00118.50.85
red396-526131950 49.412.771.00 6.21 33.0 5.95, 2.14, 0.00 49.40.78


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_CHAINJ_NTLS5_BMEAN
Analysis of TLS Group 5 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>
blue2-7877569 44.7 9.721.00 5.37 38.110.51, 0.00, 0.00 44.70.83
green79-184106738 65.223.331.00 6.36 35.6 8.23, 0.00, 3.02 65.20.64
magenta185-3351511140122.712.061.00 4.39 85.8 0.00, 1.55, 2.80122.70.89
red336-39560458118.916.911.00 4.99 93.3 0.00, 7.58, 4.70118.90.84
cyan396-526131950 49.412.771.00 6.21 33.0 5.95, 2.14, 0.00 49.40.78


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_CHAINJ_NTLS6_BMEAN
Analysis of TLS Group 6 Chain Segments (overall rmsd_b=4.94 and residual=2.05)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 44.7 9.721.00 5.37 38.110.51, 0.00, 0.00 44.70.83
green79-14971490 51.615.231.00 5.04 33.111.03, 4.47, 0.00 51.60.73
magenta150-19748355 95.7 8.841.00 4.72 79.7 0.00, 2.81, 3.93 95.70.91
red198-3681711300126.010.851.00 4.81110.5 4.60, 2.04, 0.48126.00.91
cyan369-41547327 86.421.351.00 4.95 80.6 0.00, 6.11, 0.00 86.40.73
yellow416-526111814 46.810.161.00 5.93 34.2 5.21, 0.00, 2.03 46.80.82


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_CHAINJ_NTLS7_BMEAN
Analysis of TLS Group 7 Chain Segments (overall rmsd_b=4.59 and residual=1.77)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 44.7 9.721.00 5.37 38.110.51, 0.00, 0.00 44.70.83
green79-15072498 52.015.421.00 5.14 32.911.36, 4.53, 0.00 52.00.72
magenta151-20353396 98.911.011.00 4.58 85.1 4.96, 2.05, 1.36 98.90.89
red204-303100741126.210.091.00 3.75107.6 0.00, 2.62, 1.44126.20.91
cyan304-36865510126.511.941.00 3.31 86.2 4.40, 0.70, 0.05126.50.88
yellow369-41547327 86.421.351.00 4.95 80.6 0.00, 6.11, 0.00 86.40.73
violet416-526111814 46.810.161.00 5.93 34.2 5.21, 0.00, 2.03 46.80.82


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_CHAINJ_NTLS8_BMEAN
Analysis of TLS Group 8 Chain Segments (overall rmsd_b=4.32 and residual=1.57)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 44.7 9.721.00 5.37 38.110.51, 0.00, 0.00 44.70.83
green79-15072498 52.015.421.00 5.14 32.911.36, 4.53, 0.00 52.00.72
magenta151-20353396 98.911.011.00 4.58 85.1 4.96, 2.05, 1.36 98.90.89
red204-303100741126.210.091.00 3.75107.6 0.00, 2.62, 1.44126.20.91
cyan304-36865510126.511.941.00 3.31 86.2 4.40, 0.70, 0.05126.50.88
yellow369-41547327 86.421.351.00 4.95 80.6 0.00, 6.11, 0.00 86.40.73
violet416-45944323 43.2 7.011.00 4.89 36.012.72, 0.63, 0.00 43.20.87
purpleblue460-52667491 49.111.181.00 5.44 32.4 8.50, 0.00, 3.00 49.10.80


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_CHAINJ_NTLS9_BMEAN
Analysis of TLS Group 9 Chain Segments (overall rmsd_b=4.15 and residual=1.45)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 44.7 9.721.00 5.37 38.110.51, 0.00, 0.00 44.70.83
green79-15072498 52.015.421.00 5.14 32.911.36, 4.53, 0.00 52.00.72
magenta151-20353396 98.911.011.00 4.58 85.1 4.96, 2.05, 1.36 98.90.89
red204-303100741126.210.091.00 3.75107.6 0.00, 2.62, 1.44126.20.91
cyan304-36865510126.511.941.00 3.31 86.2 4.40, 0.70, 0.05126.50.88
yellow369-41446323 86.920.901.00 4.88 81.0 0.00, 6.36, 0.00 86.90.74
violet415-45036258 44.3 6.941.00 4.60 37.316.34, 1.89, 0.00 44.30.87
purpleblue451-49444325 49.6 8.771.00 4.48 36.4 0.00, 11.18, 6.99 49.60.83
salmon495-52632235 45.513.421.00 4.30 36.517.91, 0.00, 0.04 45.50.78


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_CHAINJ_NTLS10_BMEAN
Analysis of TLS Group 10 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>
blue2-7877569 44.7 9.721.00 5.37 38.110.51, 0.00, 0.00 44.70.83
green79-15072498 52.015.421.00 5.14 32.911.36, 4.53, 0.00 52.00.72
magenta151-18333231 92.1 7.111.00 3.51 82.3 0.00, 5.99, 5.73 92.10.93
red184-20320165108.5 7.981.00 2.49103.8 6.00, 0.36, 0.00108.50.92
cyan204-303100741126.210.091.00 3.75107.6 0.00, 2.62, 1.44126.20.91
yellow304-36865510126.511.941.00 3.31 86.2 4.40, 0.70, 0.05126.50.88
violet369-41446323 86.920.901.00 4.88 81.0 0.00, 6.36, 0.00 86.90.74
purpleblue415-45036258 44.3 6.941.00 4.60 37.316.34, 1.89, 0.00 44.30.87
salmon451-49444325 49.6 8.771.00 4.48 36.4 0.00, 11.18, 6.99 49.60.83
lime495-52632235 45.513.421.00 4.30 36.517.91, 0.00, 0.04 45.50.78


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_CHAINJ_NTLS11_BMEAN
Analysis of TLS Group 11 Chain Segments (overall rmsd_b=3.87 and residual=1.26)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 44.7 9.721.00 5.37 38.110.51, 0.00, 0.00 44.70.83
green79-15072498 52.015.421.00 5.14 32.911.36, 4.53, 0.00 52.00.72
magenta151-18333231 92.1 7.111.00 3.51 82.3 0.00, 5.99, 5.73 92.10.93
red184-20926217113.211.001.00 2.69109.3 6.90, 0.00, 0.00113.20.88
cyan210-27162459131.3 7.771.00 3.11 86.9 2.37, 0.00, 0.86131.30.93
yellow272-30332230115.7 6.501.00 2.97109.8 6.46, 2.25, 0.00115.70.94
violet304-36865510126.511.941.00 3.31 86.2 4.40, 0.70, 0.05126.50.88
purpleblue369-41446323 86.920.901.00 4.88 81.0 0.00, 6.36, 0.00 86.90.74
salmon415-45036258 44.3 6.941.00 4.60 37.316.34, 1.89, 0.00 44.30.87
lime451-49444325 49.6 8.771.00 4.48 36.4 0.00, 11.18, 6.99 49.60.83
slate495-52632235 45.513.421.00 4.30 36.517.91, 0.00, 0.04 45.50.78


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_CHAINJ_NTLS12_BMEAN
Analysis of TLS Group 12 Chain Segments (overall rmsd_b=3.74 and residual=1.18)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 44.7 9.721.00 5.37 38.110.51, 0.00, 0.00 44.70.83
green79-12850342 43.6 9.071.00 4.50 33.0 0.00, 9.43, 5.12 43.60.82
magenta129-15628198 74.211.741.00 4.02 55.413.61, 0.00, 4.21 74.20.83
red157-18327189 92.8 7.291.00 3.11 86.110.11, 0.14, 0.00 92.80.92
cyan184-20926217113.211.001.00 2.69109.3 6.90, 0.00, 0.00113.20.88
yellow210-27162459131.3 7.771.00 3.11 86.9 2.37, 0.00, 0.86131.30.93
violet272-30332230115.7 6.501.00 2.97109.8 6.46, 2.25, 0.00115.70.94
purpleblue304-36865510126.511.941.00 3.31 86.2 4.40, 0.70, 0.05126.50.88
salmon369-41446323 86.920.901.00 4.88 81.0 0.00, 6.36, 0.00 86.90.74
lime415-45036258 44.3 6.941.00 4.60 37.316.34, 1.89, 0.00 44.30.87
slate451-49444325 49.6 8.771.00 4.48 36.4 0.00, 11.18, 6.99 49.60.83
bluegreen495-52632235 45.513.421.00 4.30 36.517.91, 0.00, 0.04 45.50.78


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_CHAINJ_NTLS13_BMEAN
Analysis of TLS Group 13 Chain Segments (overall rmsd_b=3.61 and residual=1.10)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 44.7 9.721.00 5.37 38.110.51, 0.00, 0.00 44.70.83
green79-12850342 43.6 9.071.00 4.50 33.0 0.00, 9.43, 5.12 43.60.82
magenta129-15628198 74.211.741.00 4.02 55.413.61, 0.00, 4.21 74.20.83
red157-18327189 92.8 7.291.00 3.11 86.110.11, 0.14, 0.00 92.80.92
cyan184-20926217113.211.001.00 2.69109.3 6.90, 0.00, 0.00113.20.88
yellow210-27162459131.3 7.771.00 3.11 86.9 2.37, 0.00, 0.86131.30.93
violet272-30332230115.7 6.501.00 2.97109.8 6.46, 2.25, 0.00115.70.94
purpleblue304-36764499126.711.961.00 3.18 73.8 4.13, 0.53, 0.00126.70.88
salmon368-40639282 94.714.751.00 4.61 86.3 0.00, 6.91, 0.00 94.70.83
lime407-44438265 45.7 7.171.00 3.73 39.210.63, 1.14, 0.00 45.70.86
slate445-47531223 46.4 9.511.00 4.03 30.610.49, 1.60, 4.04 46.40.82
bluegreen476-51439291 47.3 8.001.00 3.76 22.3 6.57, 0.00, 1.48 47.30.84
hotpink515-5261291 51.319.301.00 3.31 31.520.28, 9.87, 0.00 51.30.67


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_CHAINJ_NTLS14_BMEAN
Analysis of TLS Group 14 Chain Segments (overall rmsd_b=3.49 and residual=1.02)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2322160 42.3 7.431.00 5.05 38.514.64, 0.00, 0.00 42.30.86
green24-7855409 45.610.341.00 4.46 36.8 9.82, 0.00, 2.49 45.60.78
magenta79-12850342 43.6 9.071.00 4.50 33.0 0.00, 9.43, 5.12 43.60.82
red129-15628198 74.211.741.00 4.02 55.413.61, 0.00, 4.21 74.20.83
cyan157-18327189 92.8 7.291.00 3.11 86.110.11, 0.14, 0.00 92.80.92
yellow184-20926217113.211.001.00 2.69109.3 6.90, 0.00, 0.00113.20.88
violet210-27162459131.3 7.771.00 3.11 86.9 2.37, 0.00, 0.86131.30.93
purpleblue272-30332230115.7 6.501.00 2.97109.8 6.46, 2.25, 0.00115.70.94
salmon304-36764499126.711.961.00 3.18 73.8 4.13, 0.53, 0.00126.70.88
lime368-40639282 94.714.751.00 4.61 86.3 0.00, 6.91, 0.00 94.70.83
slate407-44438265 45.7 7.171.00 3.73 39.210.63, 1.14, 0.00 45.70.86
bluegreen445-47531223 46.4 9.511.00 4.03 30.610.49, 1.60, 4.04 46.40.82
hotpink476-51439291 47.3 8.001.00 3.76 22.3 6.57, 0.00, 1.48 47.30.84
orange515-5261291 51.319.301.00 3.31 31.520.28, 9.87, 0.00 51.30.67


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_CHAINJ_NTLS15_BMEAN
Analysis of TLS Group 15 Chain Segments (overall rmsd_b=3.35 and residual=0.95)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2322160 42.3 7.431.00 5.05 38.514.64, 0.00, 0.00 42.30.86
green24-6946346 45.110.531.00 4.14 36.2 8.49, 1.21, 0.00 45.10.78
magenta70-8516109 52.7 8.951.00 4.53 49.8 0.00, 31.63, 0.00 52.70.83
red86-12843296 41.2 7.091.00 4.47 32.0 0.00, 8.42, 5.69 41.20.85
cyan129-15628198 74.211.741.00 4.02 55.413.61, 0.00, 4.21 74.20.83
yellow157-18327189 92.8 7.291.00 3.11 86.110.11, 0.14, 0.00 92.80.92
violet184-20926217113.211.001.00 2.69109.3 6.90, 0.00, 0.00113.20.88
purpleblue210-27162459131.3 7.771.00 3.11 86.9 2.37, 0.00, 0.86131.30.93
salmon272-30332230115.7 6.501.00 2.97109.8 6.46, 2.25, 0.00115.70.94
lime304-36764499126.711.961.00 3.18 73.8 4.13, 0.53, 0.00126.70.88
slate368-40639282 94.714.751.00 4.61 86.3 0.00, 6.91, 0.00 94.70.83
bluegreen407-44438265 45.7 7.171.00 3.73 39.210.63, 1.14, 0.00 45.70.86
hotpink445-47531223 46.4 9.511.00 4.03 30.610.49, 1.60, 4.04 46.40.82
orange476-51439291 47.3 8.001.00 3.76 22.3 6.57, 0.00, 1.48 47.30.84
yellowgreen515-5261291 51.319.301.00 3.31 31.520.28, 9.87, 0.00 51.30.67


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_CHAINJ_NTLS16_BMEAN
Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.23 and residual=0.88)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2322160 42.3 7.431.00 5.05 38.514.64, 0.00, 0.00 42.30.86
green24-6946346 45.110.531.00 4.14 36.2 8.49, 1.21, 0.00 45.10.78
magenta70-8516109 52.7 8.951.00 4.53 49.8 0.00, 31.63, 0.00 52.70.83
red86-12843296 41.2 7.091.00 4.47 32.0 0.00, 8.42, 5.69 41.20.85
cyan129-15628198 74.211.741.00 4.02 55.413.61, 0.00, 4.21 74.20.83
yellow157-18327189 92.8 7.291.00 3.11 86.110.11, 0.14, 0.00 92.80.92
violet184-20926217113.211.001.00 2.69109.3 6.90, 0.00, 0.00113.20.88
purpleblue210-27162459131.3 7.771.00 3.11 86.9 2.37, 0.00, 0.86131.30.93
salmon272-30332230115.7 6.501.00 2.97109.8 6.46, 2.25, 0.00115.70.94
lime304-35653403125.112.231.00 2.87117.8 4.95, 0.48, 0.00125.10.88
slate357-37721161121.217.091.00 2.60121.0 0.00, 0.31, 0.00121.20.85
bluegreen378-40326196 94.613.691.00 2.78 92.9 7.76, 0.00, 0.00 94.60.84
hotpink404-44441286 47.5 9.831.00 4.17 38.011.49, 2.15, 0.00 47.50.82
orange445-47531223 46.4 9.511.00 4.03 30.610.49, 1.60, 4.04 46.40.82
yellowgreen476-51439291 47.3 8.001.00 3.76 22.3 6.57, 0.00, 1.48 47.30.84
blueviolet515-5261291 51.319.301.00 3.31 31.520.28, 9.87, 0.00 51.30.67


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_CHAINJ_NTLS17_BMEAN
Analysis of TLS Group 17 Chain Segments (overall rmsd_b=3.14 and residual=0.83)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2322160 42.3 7.431.00 5.05 38.514.64, 0.00, 0.00 42.30.86
green24-6946346 45.110.531.00 4.14 36.2 8.49, 1.21, 0.00 45.10.78
magenta70-8516109 52.7 8.951.00 4.53 49.8 0.00, 31.63, 0.00 52.70.83
red86-12843296 41.2 7.091.00 4.47 32.0 0.00, 8.42, 5.69 41.20.85
cyan129-15628198 74.211.741.00 4.02 55.413.61, 0.00, 4.21 74.20.83
yellow157-18327189 92.8 7.291.00 3.11 86.110.11, 0.14, 0.00 92.80.92
violet184-20926217113.211.001.00 2.69109.3 6.90, 0.00, 0.00113.20.88
purpleblue210-27162459131.3 7.771.00 3.11 86.9 2.37, 0.00, 0.86131.30.93
salmon272-30332230115.7 6.501.00 2.97109.8 6.46, 2.25, 0.00115.70.94
lime304-35653403125.112.231.00 2.87117.8 4.95, 0.48, 0.00125.10.88
slate357-37721161121.217.091.00 2.60121.0 0.00, 0.31, 0.00121.20.85
bluegreen378-40023174 97.711.141.00 2.67 95.9 7.76, 0.00, 0.00 97.70.87
hotpink401-42323154 53.912.321.00 2.48 44.5 9.22, 2.85, 0.00 53.90.79
orange424-44421154 44.3 7.161.00 3.20 34.911.90, 2.91, 0.00 44.30.85
yellowgreen445-47531223 46.4 9.511.00 4.03 30.610.49, 1.60, 4.04 46.40.82
blueviolet476-51439291 47.3 8.001.00 3.76 22.3 6.57, 0.00, 1.48 47.30.84
marine515-5261291 51.319.301.00 3.31 31.520.28, 9.87, 0.00 51.30.67


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_CHAINJ_NTLS18_BMEAN
Analysis of TLS Group 18 Chain Segments (overall rmsd_b=3.05 and residual=0.78)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2322160 42.3 7.431.00 5.05 38.514.64, 0.00, 0.00 42.30.86
green24-6946346 45.110.531.00 4.14 36.2 8.49, 1.21, 0.00 45.10.78
magenta70-8516109 52.7 8.951.00 4.53 49.8 0.00, 31.63, 0.00 52.70.83
red86-12843296 41.2 7.091.00 4.47 32.0 0.00, 8.42, 5.69 41.20.85
cyan129-15628198 74.211.741.00 4.02 55.413.61, 0.00, 4.21 74.20.83
yellow157-18327189 92.8 7.291.00 3.11 86.110.11, 0.14, 0.00 92.80.92
violet184-20219153107.0 6.241.00 2.46101.6 7.68, 0.00, 0.53107.00.94
purpleblue203-22523183124.9 4.071.00 1.18115.6 4.99, 0.00, 0.80124.90.96
salmon226-27146340134.0 6.841.00 3.10133.0 0.00, 1.66, 0.00134.00.94
lime272-30332230115.7 6.501.00 2.97109.8 6.46, 2.25, 0.00115.70.94
slate304-35653403125.112.231.00 2.87117.8 4.95, 0.48, 0.00125.10.88
bluegreen357-37721161121.217.091.00 2.60121.0 0.00, 0.31, 0.00121.20.85
hotpink378-40023174 97.711.141.00 2.67 95.9 7.76, 0.00, 0.00 97.70.87
orange401-42323154 53.912.321.00 2.48 44.5 9.22, 2.85, 0.00 53.90.79
yellowgreen424-44421154 44.3 7.161.00 3.20 34.911.90, 2.91, 0.00 44.30.85
blueviolet445-47531223 46.4 9.511.00 4.03 30.610.49, 1.60, 4.04 46.40.82
marine476-51439291 47.3 8.001.00 3.76 22.3 6.57, 0.00, 1.48 47.30.84
olive515-5261291 51.319.301.00 3.31 31.520.28, 9.87, 0.00 51.30.67


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_CHAINJ_NTLS19_BMEAN
Analysis of TLS Group 19 Chain Segments (overall rmsd_b=2.96 and residual=0.74)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2322160 42.3 7.431.00 5.05 38.514.64, 0.00, 0.00 42.30.86
green24-6946346 45.110.531.00 4.14 36.2 8.49, 1.21, 0.00 45.10.78
magenta70-8718121 52.7 8.531.00 4.76 50.8 0.00, 16.06, 0.00 52.70.84
red88-11730206 39.4 5.601.00 3.64 32.511.32, 0.00, 4.67 39.40.88
cyan118-1281178 44.3 8.401.00 3.13 39.6 0.00, 26.58, 0.00 44.30.84
yellow129-15628198 74.211.741.00 4.02 55.413.61, 0.00, 4.21 74.20.83
violet157-18327189 92.8 7.291.00 3.11 86.110.11, 0.14, 0.00 92.80.92
purpleblue184-20219153107.0 6.241.00 2.46101.6 7.68, 0.00, 0.53107.00.94
salmon203-22523183124.9 4.071.00 1.18115.6 4.99, 0.00, 0.80124.90.96
lime226-27146340134.0 6.841.00 3.10133.0 0.00, 1.66, 0.00134.00.94
slate272-30332230115.7 6.501.00 2.97109.8 6.46, 2.25, 0.00115.70.94
bluegreen304-35653403125.112.231.00 2.87117.8 4.95, 0.48, 0.00125.10.88
hotpink357-37721161121.217.091.00 2.60121.0 0.00, 0.31, 0.00121.20.85
orange378-40023174 97.711.141.00 2.67 95.9 7.76, 0.00, 0.00 97.70.87
yellowgreen401-42323154 53.912.321.00 2.48 44.5 9.22, 2.85, 0.00 53.90.79
blueviolet424-44421154 44.3 7.161.00 3.20 34.911.90, 2.91, 0.00 44.30.85
marine445-47531223 46.4 9.511.00 4.03 30.610.49, 1.60, 4.04 46.40.82
olive476-51439291 47.3 8.001.00 3.76 22.3 6.57, 0.00, 1.48 47.30.84
purple515-5261291 51.319.301.00 3.31 31.520.28, 9.87, 0.00 51.30.67


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_CHAINJ_NTLS20_BMEAN
Analysis of TLS Group 20 Chain Segments (overall rmsd_b=2.88 and residual=0.70)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-2322160 42.3 7.431.00 5.05 38.514.64, 0.00, 0.00 42.30.86
green24-6946346 45.110.531.00 4.14 36.2 8.49, 1.21, 0.00 45.10.78
magenta70-8718121 52.7 8.531.00 4.76 50.8 0.00, 16.06, 0.00 52.70.84
red88-11730206 39.4 5.601.00 3.64 32.511.32, 0.00, 4.67 39.40.88
cyan118-1271071 43.8 8.641.00 3.17 39.5 0.00, 27.11, 0.00 43.80.84
yellow128-1381181 61.3 7.741.00 2.56 40.435.29, 0.00, 2.00 61.30.87
violet139-15618124 81.2 7.701.00 2.96 68.913.25, 0.00, 6.32 81.20.90
purpleblue157-18327189 92.8 7.291.00 3.11 86.110.11, 0.14, 0.00 92.80.92
salmon184-20219153107.0 6.241.00 2.46101.6 7.68, 0.00, 0.53107.00.94
lime203-22523183124.9 4.071.00 1.18115.6 4.99, 0.00, 0.80124.90.96
slate226-27146340134.0 6.841.00 3.10133.0 0.00, 1.66, 0.00134.00.94
bluegreen272-30332230115.7 6.501.00 2.97109.8 6.46, 2.25, 0.00115.70.94
hotpink304-35653403125.112.231.00 2.87117.8 4.95, 0.48, 0.00125.10.88
orange357-37721161121.217.091.00 2.60121.0 0.00, 0.31, 0.00121.20.85
yellowgreen378-40023174 97.711.141.00 2.67 95.9 7.76, 0.00, 0.00 97.70.87
blueviolet401-42323154 53.912.321.00 2.48 44.5 9.22, 2.85, 0.00 53.90.79
marine424-44421154 44.3 7.161.00 3.20 34.911.90, 2.91, 0.00 44.30.85
olive445-47531223 46.4 9.511.00 4.03 30.610.49, 1.60, 4.04 46.40.82
purple476-51439291 47.3 8.001.00 3.76 22.3 6.57, 0.00, 1.48 47.30.84
teal515-5261291 51.319.301.00 3.31 31.520.28, 9.87, 0.00 51.30.67

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