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Sequences

Structure

Protein Structure Modeling

Small Compounds


Sequences
   Search
   Analysis
   Alignement
   Convert
Structure
   Search
   Edit
   Superpose 2 structures
   Analyse
Protein Structure Modeling
   model banks
   Structural prediction
   Automated model building
   Evaluation of model quality
Small Compounds
   FAFDrugs
   Pockets
   Screening Test Sets
   Utilities

Sequences

Search


  from a keyword

     PubMed  external ressource
         search pubmed


     SRS  external ressource
         Sequence Retrival System


     SwissProt  external ressource
         search swissprot


  from a sequence

     AutomatP  available in p-server
         Search for homologous sequences and align them with your query


     AutomatN  available in p-server
         Search for homologous sequences and align them with your query (nucleic acids)


     psiBlast  RPBS services - available in p-server
         run psi-blast on your sequence


     Prosite  external ressource
         Scan prosite


     ProDom  external ressource
         Scan ProDom


  PDB

     PDBSeqres  available in p-server
         PDB Sequences


Analysis


  Composition

     MM-PI-Composition  external ressource
         Some properties such as Molecular Weigth, pI, ...


  Motifs

     MotifScan  external ressource
         Search your sequence for known motifs


     InterProScan  external ressource
         Search your sequence for known motifs


  Hydrophobicity

     HCA  available in p-server
         Draw an HCAplot - Based on Hydrophobic Cluster Analysis


  Function

     ProtFun  external ressource
         Predict function from protein sequence


  Useful links

     Infobiogen  external ressource
         Infobiogen Sequence analysis tools


     Expasy  external ressource
         ExPASy Catalogue of Proteomics tools


Alignement


  Sequence alignement

     clustalw  RPBS services - available in p-server
         Multiple sequence alignement, limited to protein sequences


     tcoffee  RPBS services - available in p-server
         Multiple sequence alignement


Convert


  Sequence Format conversion

     squizz  RPBS services - available in p-server
         Format conversion of sequence files.
Structure

Search


  search the PDB

     PDBlite  external ressource
         Interface to PDBlite service.


     MSDlite  RPBS services - available in p-server
         Simple search of relational PDB


  from a sequence

     Blast  RPBS services - available in p-server
         Search for sequence from PDB entry similar to that of your query using Blast.


     SAM-t02  external ressource
         HMM-based threader Protein Structure Prediction


     3DPSSM  external ressource
         3D-PSSM profile threader Protein Structure Prediction


     123D  external ressource
         123D threader


  Browse classifications of protein structures

     SCOP  external ressource
         SCOP: Structural Classification of Proteins


     CATH  external ressource
         CATH: automated Protein Structure Classification


     SARF-tree  external ressource
         SARF: classification of structures


     ASTRAL  external ressource
         ASTRAL


  from a structure

     Yakusa  available in p-server
         Recherche rapide dans une base de structure protéique PDB


     SA-search  available in p-server
         Search for similar 3D structures (based on structural alphabet)


     CE-all  external ressource
         Search the PDB for a structures similar to yours using CE


     DALI-all  external ressource
         Search the PDB for a structures similar to yours using DALI


     VAST  external ressource
         Search the PDB for a structures similar to yours using VAST


     MATRAS-all  external ressource
         Search the PDB for a structures similar to yours using MATRAS


  Utilities

     PDBTM  RPBS services - available in p-server
         3D transformation


     PDBPileUp  external ressource
         multiPDB file generation


     PDBpart  external ressource
         PDB part extraction


Edit


  Dihedrals

     BasicBuilder  available in p-server
        


     Substitutions  available in p-server
         Sub service of SCit, a set of tools for protein side chain conformation analysis and editing


     HydrogenBuilder  available in p-server
         Hydrogen positionning


Superpose 2 structures


  User provided alignment

     Superpose  available in p-server
        


  Automated search

     CE  external ressource
         Pairwise comparison of 2 strcutures using CE


     DALI  external ressource
         Pairwise comparison of 2 strcutures using DALI


     K2  external ressource
         Pairwise comparison of 2 strcutures using K2


     SARF  external ressource
         SARF structural alignement


     MATRAS  external ressource
         MATRAS structural alignement of 2 structures


Analyse


  Dihedrals

     phi-psi  available in p-server
         protein backbone


     SCit  available in p-server
         Side chain conformation analysis and editing


  Secondary structure

     stride  RPBS services - available in p-server
         Identify secondary structures


     p-sea  RPBS services - available in p-server
         Identify secondary structures


     extract-Turn  available in p-server
         Beta turn identification


     HMMSA-Encoder  available in p-server
         Structure encoding as letters of a structural alphabet Hidden Markov Model derived


  Hydrogen bonds

     H-bonds  available in p-server
        


  Solvent accessible surface area

     ASA  available in p-server
        


     VADAR  external ressource
         VADAR (Volume, Area, Dihedral Angle Reporter) suite of services


  Electrostatics

     mead-pKa  available in p-server
         Calculate a protein pKa


     mead-pot  available in p-server
         Calculate the electrostatic potential and display a graphic view of results


  Domains

     3Dee  external ressource
        


     PDP  external ressource
        
Protein Structure Modeling

model banks


  model banks

     ModBase  external ressource
         Database of hree-dimensional comparative protein structure models, at Sali lab.


     SwissModel  external ressource
         Database of three-dimensional comparative protein structure models, maintained at expasy.


Structural prediction


  Secondary structure

     psi-Pred  RPBS services - available in p-server
         method for protein secondary structure prediction


     Jnet  RPBS services - available in p-server
         Jnet - Method of protein secondary structure prediction


     PROF  external ressource
         PROF - Secondary Structure Prediction System at Aberystwyth, Wales


     COUDES  external ressource
         Beta turn prediction from sequence


  Local Structure

     LocPred  external ressource
         Prediction of protein local conformation, using protein blocks structural alphabet


  Acessible surface Area

     PredAcc  available in p-server
         Prediction of solvent accessibility


     NetASA  RPBS services - available in p-server
         Prediction of solvent accessibility using a neural network algorithm


     RVP-net  external ressource
        


  Disulfide bridges

     CysState  available in p-server
         Cysteine oxydation state from sequence


     Cystein bonding and connnectivity  external ressource
         Prediction of disulfide bonding state and connectivity pattern of the cysteines given a sequence


Automated model building


  Homology modeling

     CBSmetaserver  external ressource
         Homology modelling server


     Geno3D  external ressource
         Homology modelling server


  Ab initio modeling

     HMMStr  external ressource
         HMMStr server (Rosetta)


Evaluation of model quality


  Structure validation services

     Eval123D  external ressource
         Structure validation suite service at CBS (Montpellier, France)


     PROCHECK  external ressource
        


     verify3D  external ressource
         VAnalysis of the quality of a putative crystal structure for protein


     Biotech validation suite  external ressource
        


     Aqua  external ressource
        
Small Compounds

FAFDrugs


  ADME-Tox filter

     ADMETox  available in p-server
         adme-tox filter.


  Collections of small compounds

     Collections  available in p-server
         Collections of small compounds


     AmbInter  available in p-server
         Ambinter 2008


Pockets


  Pocket identification

     PASS  RPBS services - available in p-server
         Putative Pocket identification from Protein Structure.


Screening Test Sets


  In silico Screening

     TestSets  available in p-server
         Test sets for in silico screening.


Utilities


  octanol-water partition

     LogP  RPBS services - available in p-server
         logP calculation


  Salt removal

     DeSalt  RPBS services - available in p-server
         Salt removal


  Format conversion

     OpenBabel  RPBS services - available in p-server
         Data format conversion


  Graphical Editor

     JME  RPBS services - available in p-server
         Molecular Editor
 

ADME-Tox filter
     ADMETox
Collections of small compounds
     Collections
     AmbInter

Pocket identification
     PASS

In silico Screening
     TestSets

octanol-water partition
     LogP
Salt removal
     DeSalt
Format conversion
     OpenBabel
Graphical Editor
     JME