BINF630/BIOL580/BINF401 Spring 2018.
Due April 26, 2018.
Select one of the protein sequences from the list below (the first letter of the protein ID should be the same as the first letter of your last name or the closest to it). Predict secondary and three-dimensional structure for the selected sequence using an advanced secondary structure prediction algorithm and a homology modeling algorithm, respectively. Analyze the quality of your model using one of the structure validation or verification tools and identify structural classification of your model.
[FOR BINF630 AND BIOL580 STUDENTS ONLY: Compare predicted secondary structures with the secondary structures in 3D model.]
A3ZYW9, D2R8U6, E8VHH5, F2B227, H8FDZ3, G2LWL6, K8G1J4, P70922, Q1N7D2, Q1NN20, Q5GY42, U4M247, Z4WQ39
Present the results of the modeling with description of all the steps and structure annotation in HTML format with interactive molecular visualization and alignment visualization tools and post the files on your binf webspace. Submit the URL by email with the string "b630_18_hw2" in the message subject line.
"P70922" was searched in Uniprot. The protein sequance was found. The FASTA file is available at http://www.uniprot.org/uniprot/P70922.fasta
>tr|P70922|P70922_BACLI Pz-peptidase OS=Bacillus licheniformis OX=1402 PE=3 SV=1 MRNSCFFNWLESKKTRGITMAEEKKANQLPDRSEVKAEDTWRLEDIFPSDEAWNKEFQAV KELIPNLSKYKGKLADSADHLYEALTYQDKVMERLGRLYTYAHMRSDQDTGNSFYQGLND KAGNLYTQAASATAYLVPEILSIEEDKLQQFILEKEELKLYSHAIEEITKERPHVLSEKE EALLAEASEVLGSSSNTFSVLNNADITFPSIKDEDGNEKQITHGNFINFLESENREVRKN AFDAVYKTYGQYKNTMATTLSGTVKKDNFYARVKKYKSAREAALSNNSIPEEVYDNLVKT INKHLPLLHRYIALRKKVLELDEVHIYDLYTPLVKDAGMKVTYEEAKDYMLKGLAPLGEE YASILKEGLENRWVDVYENKGKRNGAYSSGAYGTNPYILMNWHNNVNNLFTLVHEFGHSV HSYYTRKHQPYPYGNYSIFVAEVASTTNEALLGEYLLNNLEDEKQRLYILNHMLEGFRGT VFRQTMFAEFEHLIHTKAQEGEPLTPELLTKVYYDLNKKYFGDGMVIDKEIGLEWSRIPH FYYNYYVYQYATGYSAAQALSSQILKEGKPAVDRYIDFLKAGSSQYPIDVLKKAGVDMTS PEPIEAACKMFEEKLDEMEELLMKVKQS
Secondary structure for the protein was predicted with JPred, an advanced secondary structure prediction algorithm.
In both the secondary structures below
Before programs like swissmodel the secondary structure was used to predict the 3D structure, see wikipedia.org/wiki/Protein_secondary_structure
Jalview was also used to obtain the same results.
The 3D structure was predicted with swissmodel. The results are given here: https://swissmodel.expasy.org/interactive/tXJyj5/models/
After the protein sequence was searched for the "Build Model" option was selected. The complete output was included in the generated report
Results of swissmodel qmean: https://swissmodel.expasy.org/qmean/project/7uXBD3/
The 3D results of the "QMEAN" are included