- Conformation Analysis
- Protein Structure Alignment
- Protein Misfolding vs. Alzheimer Disease
- Fragment Search
- Evaluate Structural Similarity for Proteins with Diverse Degrees in Homology
- Mutation Analysis
- Analysis of CDR Loops in Antibody
- Comparison of Insulin Receptor vs. IGF-1 Receptor
- Drug Binding Site
- Predicting Off Target Hits in Drug Discovery
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Fragment Search
Rank Fragments by Similarity Score
This example shows to inquire similar fragment motifs from a library.
Coil fragment of 1DUR-A (15-25): Table II shows the image of protein 1DURA (PDB ID) and its motif of coil fragment of 1DUR-A (15-25). The sequence and PFSC express of motif are list on the right site. The PFSC code indicates that the fragment of 1DUR-A (15-25) has alike alpha-helix at N-terminal to connect alike beta-strand at C-terminus.
In order to show the capability of protein fragment search by PFSC approach, a library with diverse homology was constructed. The structure of 1DURA (PDB ID) on each hierarchal level belongs to protein of Ferredoxin II, family of Short-chain ferredoxins, fold of Ferredoxin-like and class of alpha+beta. According hierarchy of 1DURA (PDB ID), a library of 100 proteins with diverse degrees for structural homology was constructed. Table III shows the images and names of PDB ID which categorized by Structure Classification of Protein (SCOP), such as family protein like, super-family protein-like, fold protein-like, protein belong to class alpha+beta, all alpha, all beta and alpha/beta.
Results and similarity score: The fragments with structural similarity to1DUR-A (15-25) are ranked by PFSA-S. Part of top results is displayed in below table. All PFSA-S value is plotted in Fig. 2.
Top four of motifs: Table VI displays four of proteins and motifs with top score PFSA-S. It is significant that all characteristics for each motif are expressed and associated by one-dimensional strings. The one-dimensional digitized description benefits for computer in high throughput of mass of data with quantitative assessment of similarity, including comparison of PFSC, sequence, size of side chain of amino acid and physicochemical properties of each residue.
