| Protein sequence(s) | MAPGGYVAPKAVWLPAVKAKGLEISGTFTHRQGHIYMEMNFTNKALQHMTDFAIQFNKNSFGVIPSTPLAIHTPLMPNQSIDVSLPLNTLGPVMKMEPLNNLQVAVKNNIDVFYFSCLIPLNVLFVEDGKMERQVFLATWKDIPNENELQFQIKECHLNADTVSSKLQNNNVYTIAKRNVEGQDMLYQSLKLTNGIWILAELRIQPGNPNYTLSLKCRAPEVSQYIYQVYDSILKNGGYVAPKAVWLPAVKAKGLEISGTFTHRQGHIYMEMNFTNKALQHMTDFAIQFNKNSFGVIPSTPLAIHTPLMPNQSIDVSLPLNTLGPVMKMEPLNNLQVAVKNNIDVFYFSCLIPLNVLFVEDGKMERQVFLATWKDIPNENELQFQIKECHLNADTVSSKLQNNNVYTIAKRNVEGQDMLYQSLKLTNGIWILAELRIQPGNPNYTLSLKCRAPEVSQYIYQVYDSILKN input pdb | |
| Peptide sequence | SFGDGFADF | |
| Simulation mc cycles | 50 | |
| Peptide secondary structure | CCCCHHHHC | |
Flexible regions |
|
| 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) | 35.3842 | 3.25004 | 32.9126 | 115 |
| cluster_2.pdb ( medoid) | 26.8649 | 4.13178 | 25.0876 | 111 |
| cluster_3.pdb ( medoid) | 20.9502 | 4.91642 | 9.24093 | 103 |
| cluster_4.pdb ( medoid) | 19.6078 | 9.07803 | 28.1649 | 178 |
| cluster_5.pdb ( medoid) | 17.2891 | 5.14776 | 33.0531 | 89 |
| cluster_6.pdb ( medoid) | 13.3795 | 7.2499 | 16.8567 | 97 |
| cluster_7.pdb ( medoid) | 12.9573 | 8.87529 | 32.1864 | 115 |
| cluster_8.pdb ( medoid) | 10.8207 | 10.1657 | 43.8936 | 110 |
| cluster_9.pdb ( medoid) | 4.3053 | 5.10998 | 16.9426 | 22 |
| cluster_10.pdb ( medoid) | 1.7842 | 20.7375 | 42.9628 | 37 |