| Protein sequence(s) | MAELQEVQITEEKPLLPGQTPEAAKEAELAARILLDQGQTHSVETPYGSVTFTVYGTPKPKRPAILTYHDVGLNYKSCFQPLFQFEDMQEIIQNFVRVHVDAPGMEEGAPVFPLGYQYPSLDQLADMIPCVLQYLNFSTIIGVGVGAGAYILARYALNHPDTVEGLVLINIDPNAKGWMDWAAHKLTGLTSSIPEMILGHLFSQEELSGNSELIQKYRNIITHAPNLDNIELYWNSYNNRRDLNFERGGDITLRCPVMLVVGDQAPHEDAVVECNSKLDPTQTSFLKMADSGGQPQLTQPGKLTEAFKYFLQGMGYMASSCMTRLSRSRTASLTSAASVDGNRSRSRTLSQSSESGTLSSGPPGHTMEVSC input pdb |
| Peptide sequence | LSEEAWKKLRELSEKI |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCHHHHHHHHHHHHHC |
| 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) | 72.406 | 0.759606 | 2.25995 | 55 |
| cluster_2.pdb ( medoid) | 28.721 | 3.82996 | 20.6775 | 110 |
| cluster_3.pdb ( medoid) | 28.6001 | 3.56642 | 18.5496 | 102 |
| cluster_4.pdb ( medoid) | 25.5451 | 4.77587 | 26.1554 | 122 |
| cluster_5.pdb ( medoid) | 18.2961 | 9.0183 | 42.7003 | 165 |
| cluster_6.pdb ( medoid) | 17.0151 | 6.52361 | 32.7445 | 111 |
| cluster_7.pdb ( medoid) | 15.8988 | 16.4164 | 41.981 | 261 |
| cluster_8.pdb ( medoid) | 9.08075 | 3.19357 | 11.3348 | 29 |
| cluster_9.pdb ( medoid) | 6.21117 | 4.02501 | 12.8209 | 25 |
| cluster_10.pdb ( medoid) | 1.5813 | 12.6478 | 26.0751 | 20 |