Protein sequence(s) | KSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIASTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTKTVWDWELMNSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTISTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTKTVWDWELMN input pdb |
Peptide sequence | VKKQFEELTLGEFLKLDRER |
Simulation mc cycles | 50 |
Peptide secondary structure psipred | CCHHHHHCCHHHHHHHHHCC |
Receptor residue | Peptide residue |
Receptor residue | Peptide residue |
Receptor residue | Peptide residue |
cluster name | cluster density | average rmsd | max rmsd | number of elements |
cluster_1.pdb ( medoid) | 257.351 | 0.388574 | 2.63364 | 100 |
cluster_2.pdb ( medoid) | 98.7673 | 1.01248 | 2.91882 | 100 |
cluster_3.pdb ( medoid) | 21.4052 | 7.28794 | 22.6466 | 156 |
cluster_4.pdb ( medoid) | 21.1403 | 4.73031 | 9.79873 | 100 |
cluster_5.pdb ( medoid) | 20.685 | 5.22118 | 11.745 | 108 |
cluster_6.pdb ( medoid) | 15.0867 | 3.84445 | 11.2668 | 58 |
cluster_7.pdb ( medoid) | 8.17292 | 5.26127 | 22.8953 | 43 |
cluster_8.pdb ( medoid) | 7.88648 | 7.86156 | 15.4574 | 62 |
cluster_9.pdb ( medoid) | 6.20609 | 6.12302 | 9.96368 | 38 |
cluster_10.pdb ( medoid) | 5.10813 | 6.85182 | 11.7576 | 35 |