|26 Mar 2010||JobID: TLSMD7764_DYslxYNH||TLSMD Version 1.4.1
1T3R: TLSMD Thermal Parameter Analysis of Structure
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|Title||HIV PROTEASE WILD-TYPE IN COMPLEX WITH TMC114 INHIBITOR|
|Experimental Method||X-RAY DIFFRACTION|
|Minimum TLS Segment Length||4 Residues|
TLS Partitions and Motion Analysis of Individual Chains
For each protein chain, this analysis show the optimal division into
1 TLS group, 2 TLS groups, 3 TLS groups, etc, up to 20 groups.
It goes on to analyze the implied rigid body translational and rotational
motion of each group, as well as its quality of fit to the refined atomic
displacement parameters (B-factors). If you have multiple chains in your
structure, they are treated independently.
1T3R: Chain A TLS Analysis
1T3R: Chain B TLS Analysis
Multi-Chain TLS Group Alignment
When multiple chains are present in your input structure, a side-by-side
sequence alignment is generated to show how the TLS group selection for one
chain aligns with the selection for the other chains. This analysis is only
meaningful when there are multiple chains of the same sequence in the
1T3R: Multi-Chain Alignment Analysis of TLS Groups
Generate input files for multigroup TLS Refinement
The CCP4 refinement program Refmac5
and the PHENIX program PHENIX.refine
both implement a refinement mode in which individual isotropic temperature factors
are supplemented by refinement of one or more TLS groups.
TLSMD will help you choose how many TLS groups to subdivide your protein chains
into, and it will generate a input files for you to use in further refinement
using Refmac5 or PHENIX.
1T3R: Generate input files for multigroup TLS Refinement
|26 Mar 2010||JobID: TLSMD7764_DYslxYNH||TLSMD Version 1.4.1 Released 11 February 2010|