30 Mar 2010JobID: TLSMD7784_zxWfiZTDTLSMD Version 1.4.1

1KP8: Chain N TLS Analysis


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Chain N Optimization Residual
1KP8_CHAINN_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 N

# 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_CHAINN_NTLS1_BMEAN
Analysis of TLS Group 1 Chain Segments (overall rmsd_b=11.93 and residual=11.98)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-5265253855 69.829.391.0012.03 56.6 4.48, 0.31, 0.00 69.80.63


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_CHAINN_NTLS2_BMEAN
Analysis of TLS Group 2 Chain Segments (overall rmsd_b=9.35 and residual=7.37)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1411401005 43.311.521.00 6.74 33.3 3.61, 0.00, 1.67 43.30.81
green142-5263852850 79.228.041.0011.69 64.8 5.17, 0.23, 0.00 79.20.68


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_CHAINN_NTLS3_BMEAN
Analysis of TLS Group 3 Chain Segments (overall rmsd_b=6.78 and residual=3.87)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-138137985 42.510.151.00 6.78 33.1 3.58, 0.00, 1.60 42.50.83
green139-3992611949 95.317.181.00 7.55 71.3 7.47, 0.97, 1.99 95.30.82
magenta400-526127921 45.310.601.00 5.69 31.5 6.27, 0.43, 1.25 45.30.81


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_CHAINN_NTLS4_BMEAN
Analysis of TLS Group 4 Chain Segments (overall rmsd_b=6.32 and residual=3.36)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-128127911 41.4 9.461.00 6.80 32.1 3.28, 0.00, 1.56 41.40.84
green129-22294701 81.514.611.00 7.97 73.0 0.00, 6.27, 0.00 81.50.82
magenta223-3981761317100.516.661.00 7.12 73.7 6.67, 1.32, 2.90100.50.83
red399-526128926 45.410.701.00 5.70 31.5 6.26, 0.32, 1.38 45.40.81


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_CHAINN_NTLS5_BMEAN
Analysis of TLS Group 5 Chain Segments (overall rmsd_b=5.89 and residual=2.92)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-104103742 41.4 9.881.00 6.39 32.4 5.74, 1.04, 0.00 41.40.82
green105-18581573 64.818.751.00 5.83 33.310.04, 1.87, 0.00 64.80.70
magenta186-312127958100.015.391.00 6.40 73.4 7.37, 0.17, 3.65100.00.84
red313-39886656 97.017.511.00 6.27 75.4 6.33, 0.00, 2.98 97.00.82
cyan399-526128926 45.410.701.00 5.70 31.5 6.26, 0.32, 1.38 45.40.81


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_CHAINN_NTLS6_BMEAN
Analysis of TLS Group 6 Chain Segments (overall rmsd_b=5.52 and residual=2.57)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-104103742 41.4 9.881.00 6.39 32.4 5.74, 1.04, 0.00 41.40.82
green105-18581573 64.818.751.00 5.83 33.310.04, 1.87, 0.00 64.80.70
magenta186-303118889 98.515.001.00 6.34 73.3 0.04, 3.80, 7.39 98.50.84
red304-36764499105.516.911.00 4.89 34.8 6.75, 0.00, 0.89105.50.82
cyan368-41346330 76.116.651.00 5.51 69.5 0.00, 5.83, 0.00 76.10.76
yellow414-526113822 43.9 9.591.00 5.42 32.1 5.65, 1.73, 0.00 43.90.82


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_CHAINN_NTLS7_BMEAN
Analysis of TLS Group 7 Chain Segments (overall rmsd_b=5.13 and residual=2.22)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 41.8 9.581.00 5.55 35.110.25, 0.00, 0.00 41.80.83
green79-15072498 48.515.131.00 5.00 29.211.54, 0.00, 5.08 48.50.71
magenta151-20050371 81.4 8.571.00 4.73 71.4 7.62, 0.00, 3.44 81.40.90
red201-303103766100.914.571.00 6.14 71.1 8.21, 2.10, 0.86100.90.85
cyan304-36764499105.516.911.00 4.89 34.8 6.75, 0.00, 0.89105.50.82
yellow368-41346330 76.116.651.00 5.51 69.5 0.00, 5.83, 0.00 76.10.76
violet414-526113822 43.9 9.591.00 5.42 32.1 5.65, 1.73, 0.00 43.90.82


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_CHAINN_NTLS8_BMEAN
Analysis of TLS Group 8 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 41.8 9.581.00 5.55 35.110.25, 0.00, 0.00 41.80.83
green79-15072498 48.515.131.00 5.00 29.211.54, 0.00, 5.08 48.50.71
magenta151-20050371 81.4 8.571.00 4.73 71.4 7.62, 0.00, 3.44 81.40.90
red201-27676569103.413.971.00 5.80 26.6 7.94, 0.00, 1.85103.40.86
cyan277-30327197 93.613.781.00 4.78 88.6 0.00, 10.89, 0.00 93.60.84
yellow304-36764499105.516.911.00 4.89 34.8 6.75, 0.00, 0.89105.50.82
violet368-41346330 76.116.651.00 5.51 69.5 0.00, 5.83, 0.00 76.10.76
purpleblue414-526113822 43.9 9.591.00 5.42 32.1 5.65, 1.73, 0.00 43.90.82


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_CHAINN_NTLS9_BMEAN
Analysis of TLS Group 9 Chain Segments (overall rmsd_b=4.72 and residual=1.88)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 41.8 9.581.00 5.55 35.110.25, 0.00, 0.00 41.80.83
green79-15072498 48.515.131.00 5.00 29.211.54, 0.00, 5.08 48.50.71
magenta151-20050371 81.4 8.571.00 4.73 71.4 7.62, 0.00, 3.44 81.40.90
red201-27676569103.413.971.00 5.80 26.6 7.94, 0.00, 1.85103.40.86
cyan277-30327197 93.613.781.00 4.78 88.6 0.00, 10.89, 0.00 93.60.84
yellow304-36764499105.516.911.00 4.89 34.8 6.75, 0.00, 0.89105.50.82
violet368-41346330 76.116.651.00 5.51 69.5 0.00, 5.83, 0.00 76.10.76
purpleblue414-45946331 41.1 7.471.00 4.39 29.613.19, 0.74, 0.00 41.10.84
salmon460-52667491 45.810.371.00 5.01 31.3 8.49, 0.00, 2.37 45.80.80


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_CHAINN_NTLS10_BMEAN
Analysis of TLS Group 10 Chain Segments (overall rmsd_b=4.56 and residual=1.75)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 41.8 9.581.00 5.55 35.110.25, 0.00, 0.00 41.80.83
green79-15072498 48.515.131.00 5.00 29.211.54, 0.00, 5.08 48.50.71
magenta151-20050371 81.4 8.571.00 4.73 71.4 7.62, 0.00, 3.44 81.40.90
red201-27676569103.413.971.00 5.80 26.6 7.94, 0.00, 1.85103.40.86
cyan277-30327197 93.613.781.00 4.78 88.6 0.00, 10.89, 0.00 93.60.84
yellow304-36764499105.516.911.00 4.89 34.8 6.75, 0.00, 0.89105.50.82
violet368-40336261 82.011.671.00 4.44 73.0 0.00, 6.93, 0.00 82.00.84
purpleblue404-44441286 45.310.031.00 4.27 35.414.70, 0.00, 1.66 45.30.81
salmon445-49450370 45.0 7.921.00 3.95 28.0 9.22, 0.00, 4.36 45.00.83
lime495-52632235 43.213.101.00 4.15 34.918.44, 0.00, 0.00 43.20.76


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_CHAINN_NTLS11_BMEAN
Analysis of TLS Group 11 Chain Segments (overall rmsd_b=4.41 and residual=1.64)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 41.8 9.581.00 5.55 35.110.25, 0.00, 0.00 41.80.83
green79-15072498 48.515.131.00 5.00 29.211.54, 0.00, 5.08 48.50.71
magenta151-18333231 79.0 8.081.00 3.51 68.0 8.81, 4.72, 1.75 79.00.90
red184-22239314 91.211.881.00 4.67 82.4 6.49, 2.94, 0.00 91.20.84
cyan223-26745332107.313.721.00 6.00-248.5 7.88, 0.52, 0.00107.30.86
yellow268-30336260 96.013.851.00 4.81 84.6 0.00, 11.97, 0.00 96.00.84
violet304-36764499105.516.911.00 4.89 34.8 6.75, 0.00, 0.89105.50.82
purpleblue368-40336261 82.011.671.00 4.44 73.0 0.00, 6.93, 0.00 82.00.84
salmon404-44441286 45.310.031.00 4.27 35.414.70, 0.00, 1.66 45.30.81
lime445-49450370 45.0 7.921.00 3.95 28.0 9.22, 0.00, 4.36 45.00.83
slate495-52632235 43.213.101.00 4.15 34.918.44, 0.00, 0.00 43.20.76


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_CHAINN_NTLS12_BMEAN
Analysis of TLS Group 12 Chain Segments (overall rmsd_b=4.27 and residual=1.54)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 41.8 9.581.00 5.55 35.110.25, 0.00, 0.00 41.80.83
green79-15072498 48.515.131.00 5.00 29.211.54, 0.00, 5.08 48.50.71
magenta151-18333231 79.0 8.081.00 3.51 68.0 8.81, 4.72, 1.75 79.00.90
red184-22239314 91.211.881.00 4.67 82.4 6.49, 2.94, 0.00 91.20.84
cyan223-24624179111.110.361.00 4.65109.2 0.00, 2.90, 0.00111.10.90
yellow247-26721153102.815.661.00 4.52 98.910.44, 0.00, 0.00102.80.82
violet268-30336260 96.013.851.00 4.81 84.6 0.00, 11.97, 0.00 96.00.84
purpleblue304-36764499105.516.911.00 4.89 34.8 6.75, 0.00, 0.89105.50.82
salmon368-40336261 82.011.671.00 4.44 73.0 0.00, 6.93, 0.00 82.00.84
lime404-44441286 45.310.031.00 4.27 35.414.70, 0.00, 1.66 45.30.81
slate445-49450370 45.0 7.921.00 3.95 28.0 9.22, 0.00, 4.36 45.00.83
bluegreen495-52632235 43.213.101.00 4.15 34.918.44, 0.00, 0.00 43.20.76


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_CHAINN_NTLS13_BMEAN
Analysis of TLS Group 13 Chain Segments (overall rmsd_b=4.14 and residual=1.44)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-7877569 41.8 9.581.00 5.55 35.110.25, 0.00, 0.00 41.80.83
green79-15072498 48.515.131.00 5.00 29.211.54, 0.00, 5.08 48.50.71
magenta151-18333231 79.0 8.081.00 3.51 68.0 8.81, 4.72, 1.75 79.00.90
red184-22239314 91.211.881.00 4.67 82.4 6.49, 2.94, 0.00 91.20.84
cyan223-24624179111.110.361.00 4.65109.2 0.00, 2.90, 0.00111.10.90
yellow247-26721153102.815.661.00 4.52 98.910.44, 0.00, 0.00102.80.82
violet268-30336260 96.013.851.00 4.81 84.6 0.00, 11.97, 0.00 96.00.84
purpleblue304-33936272 96.416.711.00 4.11 71.4 9.24, 0.00, 3.62 96.40.81
salmon340-36728227116.3 8.921.00 3.20114.0 0.00, 5.18, 0.00116.30.91
lime368-40336261 82.011.671.00 4.44 73.0 0.00, 6.93, 0.00 82.00.84
slate404-44441286 45.310.031.00 4.27 35.414.70, 0.00, 1.66 45.30.81
bluegreen445-49450370 45.0 7.921.00 3.95 28.0 9.22, 0.00, 4.36 45.00.83
hotpink495-52632235 43.213.101.00 4.15 34.918.44, 0.00, 0.00 43.20.76


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_CHAINN_NTLS14_BMEAN
Analysis of TLS Group 14 Chain Segments (overall rmsd_b=4.02 and residual=1.36)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-5251370 41.110.021.00 5.13 32.8 9.20, 0.01, 0.00 41.10.80
green53-7826199 43.0 8.561.00 3.81 32.923.71, 0.00, 5.02 43.00.82
magenta79-15072498 48.515.131.00 5.00 29.211.54, 0.00, 5.08 48.50.71
red151-18333231 79.0 8.081.00 3.51 68.0 8.81, 4.72, 1.75 79.00.90
cyan184-22239314 91.211.881.00 4.67 82.4 6.49, 2.94, 0.00 91.20.84
yellow223-24624179111.110.361.00 4.65109.2 0.00, 2.90, 0.00111.10.90
violet247-26721153102.815.661.00 4.52 98.910.44, 0.00, 0.00102.80.82
purpleblue268-30336260 96.013.851.00 4.81 84.6 0.00, 11.97, 0.00 96.00.84
salmon304-33936272 96.416.711.00 4.11 71.4 9.24, 0.00, 3.62 96.40.81
lime340-36728227116.3 8.921.00 3.20114.0 0.00, 5.18, 0.00116.30.91
slate368-40336261 82.011.671.00 4.44 73.0 0.00, 6.93, 0.00 82.00.84
bluegreen404-44441286 45.310.031.00 4.27 35.414.70, 0.00, 1.66 45.30.81
hotpink445-49450370 45.0 7.921.00 3.95 28.0 9.22, 0.00, 4.36 45.00.83
orange495-52632235 43.213.101.00 4.15 34.918.44, 0.00, 0.00 43.20.76


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_CHAINN_NTLS15_BMEAN
Analysis of TLS Group 15 Chain Segments (overall rmsd_b=3.92 and residual=1.29)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-5251370 41.110.021.00 5.13 32.8 9.20, 0.01, 0.00 41.10.80
green53-7826199 43.0 8.561.00 3.81 32.923.71, 0.00, 5.02 43.00.82
magenta79-15072498 48.515.131.00 5.00 29.211.54, 0.00, 5.08 48.50.71
red151-18333231 79.0 8.081.00 3.51 68.0 8.81, 4.72, 1.75 79.00.90
cyan184-22239314 91.211.881.00 4.67 82.4 6.49, 2.94, 0.00 91.20.84
yellow223-24624179111.110.361.00 4.65109.2 0.00, 2.90, 0.00111.10.90
violet247-26721153102.815.661.00 4.52 98.910.44, 0.00, 0.00102.80.82
purpleblue268-28316111101.411.601.00 2.79 80.6 7.73, 0.00, 2.11101.40.88
salmon284-30320149 92.014.021.00 3.15 84.2 0.00, 4.71, 10.35 92.00.84
lime304-33936272 96.416.711.00 4.11 71.4 9.24, 0.00, 3.62 96.40.81
slate340-36728227116.3 8.921.00 3.20114.0 0.00, 5.18, 0.00116.30.91
bluegreen368-40336261 82.011.671.00 4.44 73.0 0.00, 6.93, 0.00 82.00.84
hotpink404-44441286 45.310.031.00 4.27 35.414.70, 0.00, 1.66 45.30.81
orange445-49450370 45.0 7.921.00 3.95 28.0 9.22, 0.00, 4.36 45.00.83
yellowgreen495-52632235 43.213.101.00 4.15 34.918.44, 0.00, 0.00 43.20.76


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_CHAINN_NTLS16_BMEAN
Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.81 and residual=1.22)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-5251370 41.110.021.00 5.13 32.8 9.20, 0.01, 0.00 41.10.80
green53-7826199 43.0 8.561.00 3.81 32.923.71, 0.00, 5.02 43.00.82
magenta79-13961422 44.111.491.00 4.89 29.011.27, 0.00, 5.40 44.10.77
red140-17738267 75.8 7.261.00 3.63 65.816.48, 2.12, 0.00 75.80.91
cyan178-20023180 86.2 7.711.00 4.06 76.4 5.87, 3.01, 0.00 86.20.91
yellow201-22525196 96.811.921.00 3.62 66.811.09, 2.07, 0.00 96.80.86
violet226-24621157112.410.261.00 4.51110.8 0.00, 2.55, 0.00112.40.91
purpleblue247-26721153102.815.661.00 4.52 98.910.44, 0.00, 0.00102.80.82
salmon268-28316111101.411.601.00 2.79 80.6 7.73, 0.00, 2.11101.40.88
lime284-30320149 92.014.021.00 3.15 84.2 0.00, 4.71, 10.35 92.00.84
slate304-33936272 96.416.711.00 4.11 71.4 9.24, 0.00, 3.62 96.40.81
bluegreen340-36728227116.3 8.921.00 3.20114.0 0.00, 5.18, 0.00116.30.91
hotpink368-40336261 82.011.671.00 4.44 73.0 0.00, 6.93, 0.00 82.00.84
orange404-44441286 45.310.031.00 4.27 35.414.70, 0.00, 1.66 45.30.81
yellowgreen445-49450370 45.0 7.921.00 3.95 28.0 9.22, 0.00, 4.36 45.00.83
blueviolet495-52632235 43.213.101.00 4.15 34.918.44, 0.00, 0.00 43.20.76


Summary of Optimal TLS Group Partition using 17 Groups
Full TLS Partition Analysis    View with Jmol    Animate Screw Displacement with Jmol
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structimageClick on image for expanded view
1KP8_CHAINN_NTLS17_BMEAN
Analysis of TLS Group 17 Chain Segments (overall rmsd_b=3.71 and residual=1.16)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.0 6.401.00 4.39 38.518.53, 0.00, 0.00 43.00.88
green18-7255409 40.610.201.00 4.94 32.0 8.91, 1.46, 0.00 40.60.78
magenta73-861495 51.8 5.901.00 3.74 49.7 0.00, 23.39, 0.00 51.80.90
red87-13953372 42.711.481.00 5.02 28.210.85, 0.00, 5.50 42.70.75
cyan140-17738267 75.8 7.261.00 3.63 65.816.48, 2.12, 0.00 75.80.91
yellow178-20023180 86.2 7.711.00 4.06 76.4 5.87, 3.01, 0.00 86.20.91
violet201-22525196 96.811.921.00 3.62 66.811.09, 2.07, 0.00 96.80.86
purpleblue226-24621157112.410.261.00 4.51110.8 0.00, 2.55, 0.00112.40.91
salmon247-26721153102.815.661.00 4.52 98.910.44, 0.00, 0.00102.80.82
lime268-28316111101.411.601.00 2.79 80.6 7.73, 0.00, 2.11101.40.88
slate284-30320149 92.014.021.00 3.15 84.2 0.00, 4.71, 10.35 92.00.84
bluegreen304-33936272 96.416.711.00 4.11 71.4 9.24, 0.00, 3.62 96.40.81
hotpink340-36728227116.3 8.921.00 3.20114.0 0.00, 5.18, 0.00116.30.91
orange368-40336261 82.011.671.00 4.44 73.0 0.00, 6.93, 0.00 82.00.84
yellowgreen404-44441286 45.310.031.00 4.27 35.414.70, 0.00, 1.66 45.30.81
blueviolet445-49450370 45.0 7.921.00 3.95 28.0 9.22, 0.00, 4.36 45.00.83
marine495-52632235 43.213.101.00 4.15 34.918.44, 0.00, 0.00 43.20.76


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_CHAINN_NTLS18_BMEAN
Analysis of TLS Group 18 Chain Segments (overall rmsd_b=3.60 and residual=1.09)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.0 6.401.00 4.39 38.518.53, 0.00, 0.00 43.00.88
green18-7255409 40.610.201.00 4.94 32.0 8.91, 1.46, 0.00 40.60.78
magenta73-861495 51.8 5.901.00 3.74 49.7 0.00, 23.39, 0.00 51.80.90
red87-13953372 42.711.481.00 5.02 28.210.85, 0.00, 5.50 42.70.75
cyan140-17738267 75.8 7.261.00 3.63 65.816.48, 2.12, 0.00 75.80.91
yellow178-20023180 86.2 7.711.00 4.06 76.4 5.87, 3.01, 0.00 86.20.91
violet201-22525196 96.811.921.00 3.62 66.811.09, 2.07, 0.00 96.80.86
purpleblue226-24621157112.410.261.00 4.51110.8 0.00, 2.55, 0.00112.40.91
salmon247-26721153102.815.661.00 4.52 98.910.44, 0.00, 0.00102.80.82
lime268-28316111101.411.601.00 2.79 80.6 7.73, 0.00, 2.11101.40.88
slate284-30320149 92.014.021.00 3.15 84.2 0.00, 4.71, 10.35 92.00.84
bluegreen304-33936272 96.416.711.00 4.11 71.4 9.24, 0.00, 3.62 96.40.81
hotpink340-36526209116.9 8.981.00 2.88115.1 0.00, 5.19, 0.00116.90.91
orange366-3791498 86.114.171.00 3.20 78.7 9.95, 0.00, 0.30 86.10.83
yellowgreen380-41334250 74.618.101.00 4.53 69.7 0.00, 14.99, 0.00 74.60.75
blueviolet414-44734241 42.7 7.481.00 4.03 34.721.62, 1.59, 0.00 42.70.84
marine448-49447346 45.2 7.741.00 3.80 31.8 0.00, 9.27, 5.60 45.20.83
olive495-52632235 43.213.101.00 4.15 34.918.44, 0.00, 0.00 43.20.76


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_CHAINN_NTLS19_BMEAN
Analysis of TLS Group 19 Chain Segments (overall rmsd_b=3.51 and residual=1.04)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.0 6.401.00 4.39 38.518.53, 0.00, 0.00 43.00.88
green18-7255409 40.610.201.00 4.94 32.0 8.91, 1.46, 0.00 40.60.78
magenta73-861495 51.8 5.901.00 3.74 49.7 0.00, 23.39, 0.00 51.80.90
red87-13953372 42.711.481.00 5.02 28.210.85, 0.00, 5.50 42.70.75
cyan140-17738267 75.8 7.261.00 3.63 65.816.48, 2.12, 0.00 75.80.91
yellow178-20023180 86.2 7.711.00 4.06 76.4 5.87, 3.01, 0.00 86.20.91
violet201-22525196 96.811.921.00 3.62 66.811.09, 2.07, 0.00 96.80.86
purpleblue226-24621157112.410.261.00 4.51110.8 0.00, 2.55, 0.00112.40.91
salmon247-26721153102.815.661.00 4.52 98.910.44, 0.00, 0.00102.80.82
lime268-28316111101.411.601.00 2.79 80.6 7.73, 0.00, 2.11101.40.88
slate284-30320149 92.014.021.00 3.15 84.2 0.00, 4.71, 10.35 92.00.84
bluegreen304-33936272 96.416.711.00 4.11 71.4 9.24, 0.00, 3.62 96.40.81
hotpink340-36526209116.9 8.981.00 2.88115.1 0.00, 5.19, 0.00116.90.91
orange366-3791498 86.114.171.00 3.20 78.7 9.95, 0.00, 0.30 86.10.83
yellowgreen380-41334250 74.618.101.00 4.53 69.7 0.00, 14.99, 0.00 74.60.75
blueviolet414-44734241 42.7 7.481.00 4.03 34.721.62, 1.59, 0.00 42.70.84
marine448-49447346 45.2 7.741.00 3.80 31.8 0.00, 9.27, 5.60 45.20.83
olive495-51723166 39.0 4.131.00 1.92 34.720.68, 0.00, 0.94 39.00.90
purple518-526969 53.419.931.00 2.79 29.619.93, 16.62, 2.27 53.40.68


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_CHAINN_NTLS20_BMEAN
Analysis of TLS Group 20 Chain Segments (overall rmsd_b=3.42 and residual=0.99)
Input StructureTLS Predictions
ColorSegmentResiduesAtoms<B>Brmsd<Aniso>RMSD BTr Beval(L) DEG2<B><Aniso>
blue2-1716115 43.0 6.401.00 4.39 38.518.53, 0.00, 0.00 43.00.88
green18-5235255 40.311.181.00 4.53 31.2 8.63, 3.25, 0.00 40.30.76
magenta53-7826199 43.0 8.561.00 3.81 32.923.71, 0.00, 5.02 43.00.82
red79-9921137 40.911.471.00 2.52 28.9 0.00, 4.67, 7.78 40.90.74
cyan100-13940285 45.711.171.00 4.70 30.718.17, 0.00, 4.54 45.70.78
yellow140-17738267 75.8 7.261.00 3.63 65.816.48, 2.12, 0.00 75.80.91
violet178-20023180 86.2 7.711.00 4.06 76.4 5.87, 3.01, 0.00 86.20.91
purpleblue201-22525196 96.811.921.00 3.62 66.811.09, 2.07, 0.00 96.80.86
salmon226-24621157112.410.261.00 4.51110.8 0.00, 2.55, 0.00112.40.91
lime247-26721153102.815.661.00 4.52 98.910.44, 0.00, 0.00102.80.82
slate268-28316111101.411.601.00 2.79 80.6 7.73, 0.00, 2.11101.40.88
bluegreen284-30320149 92.014.021.00 3.15 84.2 0.00, 4.71, 10.35 92.00.84
hotpink304-33936272 96.416.711.00 4.11 71.4 9.24, 0.00, 3.62 96.40.81
orange340-36526209116.9 8.981.00 2.88115.1 0.00, 5.19, 0.00116.90.91
yellowgreen366-3791498 86.114.171.00 3.20 78.7 9.95, 0.00, 0.30 86.10.83
blueviolet380-41334250 74.618.101.00 4.53 69.7 0.00, 14.99, 0.00 74.60.75
marine414-44734241 42.7 7.481.00 4.03 34.721.62, 1.59, 0.00 42.70.84
olive448-49447346 45.2 7.741.00 3.80 31.8 0.00, 9.27, 5.60 45.20.83
purple495-51723166 39.0 4.131.00 1.92 34.720.68, 0.00, 0.94 39.00.90
teal518-526969 53.419.931.00 2.79 29.619.93, 16.62, 2.27 53.40.68

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