| Protein sequence(s) | WSCLEVAEACVGDVVCNAQLASYLKACSANGNPCDLKQCQAAIRFFYQNIPFNIAQMLAFCDCAQSDIPCQQSKEALHSKTCAVNMVPPPTCLSVIRSCQNDELCRRHYRTFQSKCWQRVTRKCHEDENCISTLSKQDLTCSGSDDCKAAYIDILGTVLQVQCTCRTITQSEESLCKIFQHMLHRKSCFN input pdb |
| Peptide sequence | NVKEDKFKWNLTTRSHH |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCCCCCCCCC |
| 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) | 64.8101 | 1.63555 | 14.8122 | 106 |
| cluster_2.pdb ( medoid) | 26.4836 | 4.00248 | 19.1712 | 106 |
| cluster_3.pdb ( medoid) | 17.6401 | 9.58046 | 34.5224 | 169 |
| cluster_4.pdb ( medoid) | 14.3654 | 7.44845 | 25.683 | 107 |
| cluster_5.pdb ( medoid) | 13.0403 | 6.2882 | 18.8712 | 82 |
| cluster_6.pdb ( medoid) | 12.4899 | 11.3692 | 31.0501 | 142 |
| cluster_7.pdb ( medoid) | 11.7098 | 12.8952 | 39.4751 | 151 |
| cluster_8.pdb ( medoid) | 11.31 | 3.97879 | 13.8515 | 45 |
| cluster_9.pdb ( medoid) | 4.0341 | 10.907 | 21.0828 | 44 |
| cluster_10.pdb ( medoid) | 3.12574 | 15.3564 | 28.5279 | 48 |