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non-zero ddG of binding even without mutations

Category: 
Design

Hello,

I was trying to work with the "calculate protein-protein ddG" tutorial. The tutorial comes with a resfile for mutating an Alanine with Tryptophan at residue 98. Following the steps gives, I get a ddG value of -6.6533 REU.

However, when I replace the line "98 D PIKAA W" with "98 D PIKAA A" (i.e. esentially replacing the alanine with alanine), I'm still getting a ddG value of 6.6643 REU. Can anyone point out why I might be getting a non-zero ddG even though I'm not even 'mutating' the proteins.

Regards,

top-gun98

Post Situation: 

Changing amino acid profile while keeping the backbone conformation between 2 protein structures (need help)

Category: 
Design

Hello, i am a masters student trying to play around with rosetta. And i have a project in mind. I have two protein structures: nanocages. each with 60 monomers but the chains are a little bit different with different aa profiles. Now what I want to do is to make a structure with the backbone conformation profile of one of the nanocages but with the amino acid profile of the other one. How do i go about doing this? I'm sorry if I wasn't clear english is not my native language. 

Thanks for your help in advance. 

Post Situation: 

Error with residue selectors not counting indices correctly.

Category: 
Design

I have a 4 chain, 96 residues long PDB file. all four chains are identical, so I set up my rosettascript with the following indices to select each chain to mutate them.

<Index name="chain1" resnums="1-24"/>

<Index name="chain2" resnums="24-48"/>

<Index name="chain3" resnums="48-72"/>

<Index name="chain4" resnums="72-96"/>

However I get the follwoing error message when running this script: 

Post Situation: 

core.pose.util: (0) {0} [ ERROR ] Can't find residue type 'UNK' in type set of mode fa_standard

Category: 
Design

Hello there,

I am trying to run a protocol published on nature protocols about "Modeling and docking of antibody structures with Rosetta".But when I run the application using the fasta sequence (shown as follows) provided in the article antibody,

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Method for adding residues into PDB's w/ RosettaScripts.

Category: 
Design

I have been trying to insert residues into a PDB and then relaxing with Rosetta using rosettascripts. Currenlty I have managed a way to replace specified residues with another direct subsitution, but can;t figure out how to directly add more residues. I'm attempting another method by manually adding "dummy" residues into the pdb and then having rosetta replace those with the desired reisdue.  Would it be something accomplished using a resfile instead of a Rosettascripts function?

<ROSETTASCRIPTS>

<SCOREFXNS>

Post Situation: 

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