WEB SITES USED IN THE COURSE


Protein structure retrieval and visualization

The Protein Data Bank
Molmol home page

Data Banks, sequence search, and alignment

NCBI - National Center for Biotechnology Information (NCBI) home page
BLAST (Basic Local Alignment Search Tool): Sequence similarity search at NCBI
    Basic BLAST search
    Advanced BLAST
    Psi-BLAST: Position-Specific Iterated BLAST: a sensitive way to look for homologues
    Phi-Blast to search for motifs

The EMBL-European Bioinformatics Institute (EBI), UK
Database searching using the Sequence Retrieval System, version 6.0 (SRS6)

SWISS-PROT and TrEMBL at ExPASy (Expert Protein Analysis System)
SWISS-PROT full text search using SRS6
ClustalW Multiple Sequence Alignment

Protein Sequence Alignment and Database Scanning:
Geoffrey J. Barton in Protein Structure Prediction -  A Practical Approach, Edited by MJE Sternberg (Oxford University Press)

Secondary structure prediction

A. General

Guide to prediction and Flow-chart
Secondary Structure Prediction: Different Methods

B. Methods using single sequences

The most comprehensive web server for secondary structure prediction is Jpred2:
Introduction/information    Jpred2:Submit your sequence
 
The Chou & Fasman Prediction:  One of the earliest sec. str. prediction methods

   Chou-Fasman input form
 
Network Protein Sequence Analysis: Home page
Geourjon & Deleage, IBCP, France

GOR(Garnier, Osguthorpe, Robson):context dependent propensity for secondary structure
    Input form for GOR method
nnPredict: A neural network method (Cohen et al., UCSF)

    nnPredict: Input Form

BMERC PSA (Protein Sequence Analysis)

Probabilistic discrete state space method (smoothing and filtering functions)
     BMERC PSA: input form

 C. Methods using multiple sequence alignments

DSC: Discrimination of Protein Secondary Structure Class (King & Sternberg)
The method is based on the GOR approach and mean moment of hydrophobicity.

Linear discrimination method is used for the final prediction. Original DSC currently
unavailable; Program 'Prof' or 'Son of DSC' can be accessed at the following link:
    Prof: Input form
 
PREDATOR: Frischman & Argos (EMBL): Info page
Propensity of secondary stgructure, hydrogen bonded residues, pair-wise alignment
 
The PredictProtein Home Page: Rost, B: Columbia University

"You submit any protein sequence. PredictProtein retrieves similar sequences in the database
 and predicts aspects of protein structure"
   The PredictProtein: input form
 
MASIA: Home page
"Multiple Sequence Alignment Investigation and Analysis", developed in W.Braun's group
     MASIA :Input form

Search for Other Structural Features

COILS: to predict coiled-coil structures
PROSITE database of protein families and domains

Domain identification

Pfam: Protein families database of alignments and HMMs
Search Pfam
Material on Hidden Markov Models (UC Santa Cruz)

The ProDom protein domain database: Home page and starting point for searches
A compilation of homologous domains, searcheable in different ways

ICGEB: International Centre for Genetic Engineering & Biotechnology, Trieste, Italy
    The SBASE 7.0 Protein domain library and search tools

Protein Fold Recognition/ Threading

SCOP: Structural Classification of Proteins
 "structural and evolutionay relationships between all proteins whose structure is known".
Can be accessed in four of different ways starting from the above link.

3D-PSSM web server, Biomolecular Modelling Laboratory, Imperial Cancer Research Fund, London
"A fast web-based method for Protein Fold Recognition using 1D and 3D Sequence
Profiles coupled with Secondary Structure and Solvation Potential Information"

Bioinbgu, Bioinformatics server at Ben Gurion University, Israel 0

 
GenThreader, from PSIpred, Protein Bioinformatics Group, Department of Biological Sciences, University of Warwick
     PSIpred Input form
 
TOPITS, PredictProtein server @ Columbia University

Threading a sequence through a set of structures: 123D+ Homepage
    123D+ input form

FFAS

Karplus 1 & 2

Karplus 3

Homology Modeling (Comparative Modeling)

Swiss-Model Home page
WHAT IF interface at EMBL, Heidelberg

Ab initio Protein Modeling

CASP: Protein structure prediction center
MASIA - Multiple Aligned

Protein Structure Analysis and Validation

PROCHECK Home page: How to download, install, and run the program

To check the stereochemical quality of a protein structure
 
WHAT IF: Home page

A general protein structure analysis program.
WHAT_CHECK: protein structure verification tools from WHAT IF 

 
SCSBMB Software Links

PCPMer:        A set of Physical Chemical Property based Motif Analyzer tools

InterProSurf:
  Tool for prediction of functional sites in protein monomer surfaces

GETAREA:      Program developed in our group to calculate Solvent Accessible Surface Areas, Atomic Solvation Energies,
and their Gradients for macromolecules.