| Protein sequence(s) | MGEFNEKKTTCGTVCLKYLLFTYNCCFWLAGLAVMAVGIWTLALKSDYISLLASGTYLATAYILVVAGAVVMVTGVLGCCATFKERRNLLRLYFILLLIIFLLEIIAGVLAYVYYQQLNTELKENLKDTMAKRYHQPGHEAVTSAVDQLQQEFHCCGSNNSQDWRDSEWIRLREARGRVVPDSCCKTVVAGCGQRDHAFNIYKVEGGFITKLETFIQEHLRVIGAVGTGIACVQVFGMIFTCCLYRSLKLEHY input pdb |
| Peptide sequence | NLKDTMTKRY |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CHHHCCCCCC |
| 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) | 53.0297 | 2.3006 | 9.60983 | 122 |
| cluster_2.pdb ( medoid) | 34.1732 | 4.82835 | 12.8214 | 165 |
| cluster_3.pdb ( medoid) | 29.4819 | 4.13814 | 12.8122 | 122 |
| cluster_4.pdb ( medoid) | 25.2131 | 5.03706 | 16.1312 | 127 |
| cluster_5.pdb ( medoid) | 19.9179 | 6.07494 | 14.2966 | 121 |
| cluster_6.pdb ( medoid) | 19.2488 | 5.03927 | 11.1811 | 97 |
| cluster_7.pdb ( medoid) | 11.3933 | 4.73962 | 9.11054 | 54 |
| cluster_8.pdb ( medoid) | 6.31522 | 3.3253 | 5.51068 | 21 |
| cluster_9.pdb ( medoid) | 6.20051 | 8.22513 | 18.8036 | 51 |
| cluster_10.pdb ( medoid) | 3.47337 | 5.75809 | 16.5275 | 20 |