| Protein sequence(s) | VSEDLRSRIEVLKRKVIEKVQHIQLLQKNVRAQLVDMKRLEVDIDIKIRSCRGSCSRALAREVDLKDYEDQQKQLEQVIAKDLLPKMLEEIMKYEASILTHDSSIRYLQEIYNSNNQKIVNLKEKVAQLEAQCQEPCKDTVQIHDITGKDCQDIANKGAKQSGLYFIKPLKANQQFLVYCEIDGSGNGWTVFQKRLDGSVDFKKNWIQYKEGFGHLSPTGTTEFWLGNEKIHLISTQSAIPYALRVELEDWNGRTSTADYAMFKVGPEADKYRLTYAYFAGGDAGDAFDGFDFGDDPSDKFFTSHNGMQFSTWDNDNDKFEGNCAEQDGSGWWMNKCHAGHLNGVYYQGGTYSKASTPNGYDNGIIWATWKTRWYSMKKTTMKIIPFNRLTIGEKHQLYIDETVNSNIPTNLRVLRSILENLRSKIQKLESDVSAQMEYCRTPCTVSCNIPVVSGKECEEIIRKGGETSEMYLIQPDSSVKPYRVYCDMNTENGGWTVIQNRQDGSVDFGRKWDPYKQGFGNVATNTDGKNYCGLPGEYWLGNDKISQLTRMGPTELLIEMEDWKGDKVKAHYGGFTVQNEANKYQISVNKYRGTAGNALMDGASQLMGENRTMTIHNGMFFSTYDRDNDGWLTSDPRKQCSKEDGGGWWYNRCHAANPNGRYYWGGQYTWDMAKHGTDDGVVWMNWKGSWYSMRKMSMKIRPFFPQ input pdb |
| Peptide sequence | CREKAGGRLDLRLALRLDLR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCEEEEEEEEEECC |
| 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) | 22.9394 | 4.66447 | 38.7143 | 107 |
| cluster_2.pdb ( medoid) | 22.5803 | 5.89009 | 17.554 | 133 |
| cluster_3.pdb ( medoid) | 14.7734 | 9.81491 | 34.1476 | 145 |
| cluster_4.pdb ( medoid) | 13.6511 | 8.93704 | 32.1436 | 122 |
| cluster_5.pdb ( medoid) | 12.4071 | 9.9137 | 46.3354 | 123 |
| cluster_6.pdb ( medoid) | 5.79464 | 14.8413 | 34.9601 | 86 |
| cluster_7.pdb ( medoid) | 4.78453 | 15.8845 | 40.8266 | 76 |
| cluster_8.pdb ( medoid) | 4.46713 | 14.9984 | 35.3331 | 67 |
| cluster_9.pdb ( medoid) | 3.38383 | 13.5941 | 25.7502 | 46 |
| cluster_10.pdb ( medoid) | 3.20542 | 29.6373 | 61.0131 | 95 |