How to predict structures with AlphaFold: Difference between revisions
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You can submit one (or a set) of sequences to these servers, and they will return predicted structures, along with estimates of confidence in their predictions. This is not a comprehensive list. Please add other servers of interest to a broad range of users, including beginners. | You can submit one (or a set) of sequences to these servers, and they will return predicted structures, along with estimates of confidence in their predictions. This is not a comprehensive list. Please add other servers of interest to a broad range of users, including beginners. | ||
* | * 2024<ref name="af3" />: [https://alphafoldserver.com AlphaFoldServer.Com]. Using AlphaFold3, predicts homo- and hetro-multimers involving protein, DNA, RNA, ligands, and modified residues. Straightforward to use; Guide and FAQ provided. Predictions are templated without user control (see FAQ). Free for non-commercial use -- see [https://alphafoldserver.com/terms Terms of Service] and [https://alphafoldserver.com/output-terms Output Terms of Use]. From the DeepMind team<ref name="af3" />. | ||
**If you get <font color="red"><b>Invalid character</b></font> after pasting in your sequence, try removing the breaks between lines. | **If you get <font color="red"><b>Invalid character</b></font> after pasting in your sequence, try removing the breaks between lines. | ||
**Predicted models are in [[Mmcif format|mmCIF format]] only. | **Predicted models are in [[Mmcif format|mmCIF format]] only. When visualized in [http://firstglance.jmol.org FirstGlance in Jmol], coloring by confidence/pLDDT is automatic. [[Converting AlphaFold3 CIF to PDB|More information about .cif and FirstGlance]]. | ||
**To easily obtain average [[pLDDT]] (predicted confidence) for a range of residues, see [[FirstGlance/How to get average pLDDT from AlphaFold models]] | **To easily obtain average [[pLDDT]] (predicted confidence) for a range of residues, see [[FirstGlance/How to get average pLDDT from AlphaFold models]]. | ||
**Chain ID assignments differ from those of empirical wwPDB files: see [[Chains_and_Chain_IDs#AlphaFold3_Chain_IDs|AlphaFold3 Chain IDs]]. | |||
**See also [[#Visualizing Predicted Structures]] and [[User:Eric Martz/AlphaFold3 case studies|AlphaFold3 case studies]]. | |||
* | * 2024<ref name="rfaa">PMID: 38452047</ref>: RosettaFold All-Atom (RFAA) predicts multimers of protein and nucleic acids with ligands. From the Baker team<ref name="rfaa" />. [https://neurosnap.ai/service/RoseTTAFold%20All-Atom A free server limited to very small numbers of jobs is available from Neurosnap]. | ||
* | * 2024 update? [https://colab.research.google.com/github/sokrypton/ColabFold/blob/main/AlphaFold2.ipynb ColabFold AlphaFold2 and AlphaFold-multimer] predicts multiple chain complexes. Easy to use. From Mirdita ''et al.''<ref name="colabfold" /> | ||
* | * 2024<ref name="combfold">PMID: 38326495</ref>: [https://neurosnap.ai/service/CombFold CombFold] predicts the structures of large protein complexes from subunit sequences using AlphaFold Multimer paired with a combinatorial method to assemble subunits. From Shor and Schneidman-Duhovny<ref name="combfold" />. | ||
* | * 2022<ref name="colabfold">PMID: 35637307</ref>: [https://colab.research.google.com/github/sokrypton/ColabFold/blob/main/beta/AlphaFold2_advanced.ipynb ColabFold AlphaFold2_advanced]. Predicts homo- and hetero-multimers using methods from the Steinegger/Mirdita team<ref name="colabfold" /><ref name="colabfold2024">PMID: 39402428</ref>, before AlphaFold-multimer<ref name="afmultimer">[https://www.biorxiv.org/content/10.1101/2021.10.04.463034v1.full Protein complex prediction with AlphaFold-Multimer], Preprint, Evans et al. 2021.</ref> was available. Does NOT use templates. [https://www.ebi.ac.uk/training/online/courses/alphafold/accessing-and-predicting-protein-structures-with-alphafold/predicting-protein-structures-with-colabfold-and-alphafold-colab/ See Instructions from EMBL-EBI]. | ||
* | *2022<ref name="af2021">PMID: 34265844</ref><ref name="afmultimer" />: [https://colab.research.google.com/github/deepmind/alphafold/blob/main/notebooks/AlphaFold.ipynb AlphaFold2/Multimer Colab] able to predict protein multimers. From the DeepMind team<ref name="af2021" /><ref name="afmultimer" />. [https://www.ebi.ac.uk/training/online/courses/alphafold/accessing-and-predicting-protein-structures-with-alphafold/predicting-protein-structures-with-colabfold-and-alphafold-colab/ See Instructions from EMBL-EBI]. | ||
*2022<ref name="alphafill">PMID: 36424442</ref>: [https://alphafill.eu/ AlphaFill] “transplants” missing ligands, cofactors and (metal) ions into AlphaFold models. From the Perrakis team<ref name="alphafill" />. Ligand positioning is approximate. See [[Alphafold#Ligands:_AlphaFill |CAUTION]] provided by the AlphaFill team: | |||
<blockquote> | <blockquote> | ||
"AlphaFill models are not meant or suitable for precise quantification of interactions between the transferred ligand(s) and the protein (e.g. hydrogen bonds, π-π or cation-π interactions, van der Waals interactions, hydrophobic interactions, halogen bonds)." | "AlphaFill models are not meant or suitable for precise quantification of interactions between the transferred ligand(s) and the protein (e.g. hydrogen bonds, π-π or cation-π interactions, van der Waals interactions, hydrophobic interactions, halogen bonds)." | ||
</blockquote> | </blockquote> | ||
* | *2021<ref name="rosettafold">PMID: 34282049</ref>: [https://robetta.bakerlab.org/ RoseTTAFold at Robetta] is an independent design from the Baker team<ref name="rosettafold" />, influenced by the design of AlphaFold2. Predicts monomers and multimers. Comparing results of RoseTTAFold with results of AlphaFold2/3 is worthwhile. At [https://robetta.bakerlab.org/ Robetta], open the Structure Prediction menu at the top, and choose Submit. ''Be sure to check RoseTTAFold under Optional!'' | ||
===Cost?=== | ===Cost?=== | ||
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[http://firstglance.jmol.org FirstGlance in Jmol] automatically colors its initial view of | [http://firstglance.jmol.org FirstGlance in Jmol] automatically colors its initial view of AlphaFold or RoseTTAFold models by estimated confidence [[pLDDT]] ('''{{Font color|blue|blue for high confidence}}, {{Font color|red|red for low confidence}}'''). After you go to other views or tools, you can always get back to this color scheme by clicking ''Reliability Estimates'' in the ''Views'' tab. | ||
*[[iCn3D]] automatically colors AlphaFold2 Database models loaded from their UniProt IDs. For AlphaFold files opened from your computer, use pLDDT on the pull-down Color menu. | |||
*[[PyMOL]] and [[ChimeraX]] have no built-in confidence/pLDDT color scheme. Their rainbow/spectrum color schemes for temperature/B-factor color confidence/pLDDT with the AlphaFold color scheme inverted. | |||
[http://firstglance.jmol.org/where.htm#uploading Upload] your predicted PDB file to [http://firstglance.jmol.org FirstGlance.Jmol.Org], which has many [http://firstglance.jmol.org/whatis.htm#unique unique conveniences and capabilities]. | [http://firstglance.jmol.org/where.htm#uploading Upload] your predicted PDB file to [http://firstglance.jmol.org FirstGlance.Jmol.Org], which has many [http://firstglance.jmol.org/whatis.htm#unique unique conveniences and capabilities]. | ||
When using [http://FirstGlance.jmol.org FirstGlance], it is easy to visualize | |||
* Estimated reliability | * Estimated confidence/pLDDT by touching an atom | ||
* '''Average confidence/pLDDT''' ("reliability") for the entire model, or for [[FirstGlance/How to get average pLDDT from AlphaFold models|a specified sequence range]]. | |||
* Secondary structure (Views tab) | * Secondary structure (Views tab) | ||
* Distribution of hydrophobic vs. polar residues (Views tab: integral membrane proteins will have large hydrophobic surfaces while soluble proteins will have hydrophobic cores revealed by the ''Slab'' button) | * Distribution of hydrophobic vs. polar residues (Views tab: integral membrane proteins will have large hydrophobic surfaces while soluble proteins will have hydrophobic cores revealed by the ''Slab'' button) | ||
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==See Also== | ==See Also== | ||
*[[AlphaFold/Index]], a list of pages in Proteopedia about Alphafold. | *[[AlphaFold/Index]], a list of pages in Proteopedia about Alphafold. | ||
*[[User:Eric Martz/AlphaFold3 case studies|AlphaFold3 case studies]] includes a case that AlphaFold3 cannot predict. | |||
*[[How To Find A Structure]] | *[[How To Find A Structure]] | ||
*[[Missing residues and incomplete sidechains]] | *[[Missing residues and incomplete sidechains]] | ||