| Protein sequence(s) | MAPGGYVAPKAVWLPAVKAKGLEISGTFTHRQGHIYMEMNFTNKALQHMTDFAIQFNKNSFGVIPSTPLAIHTPLMPNQSIDVSLPLNTLGPVMKMEPLNNLQVAVKNNIDVFYFSCLIPLNVLFVEDGKMERQVFLATWKDIPNENELQFQIKECHLNADTVSSKLQNNNVYTIAKRNVEGQDMLYQSLKLTNGIWILAELRIQPGNPNYTLSLKCRAPEVSQYIYQVYDSILKNSFGDGFADFGGYVAPKAVWLPAVKAKGLEISGTFTHRQGHIYMEMNFTNKALQHMTDFAIQFNKNSFGVIPSTPLAIHTPLMPNQSIDVSLPLNTLGPVMKMEPLNNLQVAVKNNIDVFYFSCLIPLNVLFVEDGKMERQVFLATWKDIPNENELQFQIKECHLNADTVSSKLQNNNVYTIAKRNVEGQDMLYQSLKLTNGIWILAELRIQPGNPNYTLSLKCRAPEVSQYIYQVYDSILKN input pdb |
| Peptide sequence | KPCGCNKCCRRGGCTCYC |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCCCCCCEEEC |
| 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) | 21.1072 | 5.2115 | 29.414 | 110 |
| cluster_2.pdb ( medoid) | 15.4463 | 6.15034 | 25.4389 | 95 |
| cluster_3.pdb ( medoid) | 15.3843 | 9.9452 | 46.7701 | 153 |
| cluster_4.pdb ( medoid) | 14.9559 | 7.28807 | 23.0891 | 109 |
| cluster_5.pdb ( medoid) | 13.9435 | 8.4627 | 46.0027 | 118 |
| cluster_6.pdb ( medoid) | 10.2373 | 8.49837 | 34.2056 | 87 |
| cluster_7.pdb ( medoid) | 8.45604 | 10.7615 | 32.2414 | 91 |
| cluster_8.pdb ( medoid) | 6.62526 | 15.5466 | 42.9328 | 103 |
| cluster_9.pdb ( medoid) | 5.01551 | 20.5363 | 51.2705 | 103 |
| cluster_10.pdb ( medoid) | 3.59654 | 8.6194 | 21.6935 | 31 |