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Databases

Protein Sequence DatabasesMore on Wikipedia

UniprotKB Comprehensive protein knowledgebase, includes manually curated SwissProt and automatically annotated TrEMBL PubMed
Protein Information ResourceIntegrated public bioinformatics resource to support genomic, proteomic and systems biology research and scientific studies PubMed
GenPeptCollection of sequences from several sources, including translations from annotated coding regions in GenBank, RefSeq and TPA, as well as records from SwissProt, PIR, PRF, and PDB PubMed
ENSEMBLGenome databases for vertebrates and other eukaryotic species PubMed

Domains and Superfamilies

CATH/Gene3D 16 million protein domains classified into 2,626 superfamilies PubMed
InterProClassification of proteins into families and prediction of domains and sites. PubMed
PFAM Collection of protein families, each represented by multiple sequence alignments and hidden Markov models (HMMs) PubMed
ProDomComprehensive set of Protein Domain Families PubMed
ProSiteDatabase of Protein Families and Domains PubMed
SCOP Structural Classification of Proteins and Astral PubMed
SFLDStructure-Function Linkage Database: hierarchical classification of enzyme superfamilies. PubMed
SUPERFAMILYDatabase of structural and functional annotation for all proteins and genomes PubMed
SMARTAllows the identification and annotation of genetically mobile domains and the analysis of domain architectures PubMed
MEMEMotif-based sequence analysis tools PubMed
PRINTSCompendium of protein fingerprints/conserved motifs used to characterize a protein family PubMed
GeneCensus Gerstein Lab Resources

Protein Structures and ModelsMore on Wikipedia

PDB Contains information about experimentally-determined structures of proteins, nucleic acids, and complex assemblies PubMed
ModBase Database of comparative protein structure models generated by the ModPipe comparative modeling pipeline PubMed
PDB-DevPrototype database of structural models generated by integrative or hybrid methods, such as with our own IMP software PubMed
SwissModel RepositoryDatabase of annotated three-dimensional comparative protein structure models generated by the fully automated homology-modelling pipeline SWISS-MODEL PubMed

Miscellaneous

PubMedEntry page to the NIH databases and tools
Stanford Genomic Resource Stanford resources maintained by the Saccharomyces Genome Database
PharmGKBPharmacogenomics Knowledgebase
GENECENSUS A hierachical system for comparative genomics study PubMed
Structural Biology KnowledgebaseIntegrates a wide variety of structural biology and structural genomics resources PubMed

Alignment programs

Sequence and structure based sequence alignments More on Wikipedia

AlignMeAlignment of membrane proteins PubMed
ClustalWProgressive alignment PubMed
COMPASSMultiple Protein sequence alignments with assessment of statistical significance PubMed
EXPRESSOMultiple sequence alignment of sequences and structures PubMed
FFASSensitive profile-profile alignment tool PubMed
GenTHREADERSequence profile and predicted secondary structure PubMed
HHBlits/HHSearchHomology detection by iterative HMM-HMM comparison PubMed
MUSCLEProgressive/iterative alignment PubMed
MUSTERprofile-profile alignment PubMed
Promals3DMultiple protein sequence/structure alignments using secondary structure prediction, available homologs with 3D structures and user-defined constraints. PubMed
PSI-BlastPosition-specific iterative BLAST PubMed
SalignMultiple protein sequence/structure alignment PubMed
StaccatoConstructs multiple sequence alignment of sets of sequences and structures which is consistent with a structural alignment of the structure set. PubMed
T-CoffeeSensitive progressive alignment PubMed
MAFFTRapid multiple sequence alignment based on fast Fourier transform PubMed

Structure More on Wikipedia

CEA method for comparing and aligning protein structures PubMed
HHSearchSensitive pairwise comparison of profile Hidden Markov models PubMed
MammuthSequence-independent protein structural alignment method PubMed
Mammuth-multMultiple alignment version of MAMOTH PubMed
MultiprotMultiple structural alignments of protein structures by detecting the common geometrical cores between the input molecules PubMed
SalignMultiple protein sequence/structure alignment PubMed
TM-alignHighly optimized algorithm for protein structure comparison and alignment PubMed
GANGSTA+Protein structure alignment tool and database PubMed
MASSEfficient method for multiple alignment of protein structures and detection of structural motifs. PubMed
MUSTANGMultiple structural alignment algorithm PubMed
PDBeFold3D alignment of protein structures

Alignment modules in Molecular Graphics Programs

PyMOLMolecular graphics program with many features; use "super" command for sequence-independent alignment PubMed
UCSF ChimeraComplex molecular graphics program; for alignments: use MatchMaker tool and command PubMed
Accelrys Discovery Studio VisualizationDS Visualization for Windows and Linux PubMed
Swiss-PDB ViewerUser friendly interface allowing to analyze several proteins at the same time PubMed

Comparative Modeling and Threading

Web-servers More on Wikipedia

3D-JIGSAWFragment assembly PubMed
FugueSequence-structure homology recognition PubMed
HHPredSensitive protein homology detection and structure prediction by HMM-HMM-comparison PubMed
i-TasserThreading fragment structure reassembly PubMed
IntFOLDIntegrated Protein Structure and Function Prediction Server PubMed
M4TComparative Modelling using a combination of multiple templates and iterative optimization of alternative alignments PubMed
ModWebComparative modeling server based on Modeller PubMed
Phyre2Protein homology/analogy recognition engine PubMed
RaptorXRemote homology detection, protein 3D modeling, binding site prediction PubMed
RobettaRosetta homology modeling and ab initio fragment assembly with Ginzu domain prediction PubMed
SwissModelLocal similarity/fragment assembly PubMed

ProgramsMore on Wikipedia

HHSuiteHHSearch, HHBlits, and pre-compiled databasesPubMed
ModellerComparative modeling by satisfaction of spacial restraints PubMed
Rosetta@homeDistributed-computing implementation of Rosetta algorithm PubMed
RosettaCMMolecular modeling softwardPubMed
MolIDEOpen-source cross-platform graphical environment for homology modeling PubMed

Miscellaneous

PredictProteinSecondary structure, families of related proteins, solvent accessibility, transmembrane helix prediction, non-regular secondary structure and intrinsically disordered regions, disulphide bridges and inter-residue contacts, trans-membrane beta barrels structures, and more.
MolSoftLarge repertoire of tools and databases

Evaluation

Quality Estimation

Cameo Quality EstimationParticipating Groups in the Cameo QE project
ModEvalEstimates model quality by estimating the native overlap, and by computing scores and profile based on statistical potentials: TSVMod, zDOPE, GA341, zDOPE-Profile PubMed
ProQ2Support Vector machine based predictor PubMed
Prosa 2003Knowledge-based potentials of mean force. PubMed
QMEAN LocalComposite scoring function describing five different structural descriptors PubMed
SwissModel WorkspaceSeveral assessment tools to estimate the quality and structural features of protein models and template structures: Dfire, Procheck, DSSP, Promotif, Anolea, Gromos, QMEANS6 PubMed
Verify 3DMeasures the compatibility of a protein model with its sequence using a 3D profile. PubMed
What_CheckProtein verification tools
ModFoldModel Quality Assessment Server
ProSA-webProtein-Structure Analysis
Kinemage3D Macromolecule analysis, includes Kinemage 3D graphics, Rampage for Ramachandran plot generation, MolProbity structure validation, and more

Methods evaluation

CASPCritical Assessment of protein Structure Prediction for Template-based modeling and free modeling, bi-annual PubMed
CAMEOContinuous automated model evaluation of accuracy and reliability of various protein structure prediction services in a fully automated manner PubMed

Protein-protein Complexes

PatchDockMolecular docking algorith based on shape complementarity principles
FastContactFree energy scoring tool for protein-protein complex structures
FiberDockFlexible Induced-fit Backbone Refinement in Molecular Docking
MetaMQAPIIBioinformatics and protein engineering toolkit

Protein-Ligand Resources

DockBlasterA free virtual docking server
ZincA database of commercially-available compounds for virtual screening

Comparative Genomics and Interaction Networks

structureVizCytoscape plugin that links visualization of biological networks in Cytoscape with visualization and analysis of molecular structures in UCSF Chimera.
MicrobesOnlineComparative and functional genomics analysis
StringProtein function, and interaction network analysis

Miscellaneous

Pedant3Protein Extraction, Description and ANalysis Tool
Biology WorkbenchWeb-based tool for biologists
Andrej Sali, PhD, Professor, Department of Bioengineering and Therapeutic Sciences; Department of Pharmaceutical Chemistry; School of Pharmacy, University of California at San Francisco, UCSF MC 2552, Mission Bay, Byers Hall, 1700 4th Street, Suite 503B, San Francisco, CA 94143, Tel +1 (415) 514-4227, Fax +1 (415) 514-4231, 4234, Web https://salilab.org

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