| Protein sequence(s) | VSEDLRSRIEVLKRKVIEKVQHIQLLQKNVRAQLVDMKRLEVDIDIKIRSCRGSCSRALAREVDLKDYEDQQKQLEQVIAKDLLPKMLEEIMKYEASILTHDSSIRYLQEIYNSNNQKIVNLKEKVAQLEAQCQEPCKDTVQIHDITGKDCQDIANKGAKQSGLYFIKPLKANQQFLVYCEIDGSGNGWTVFQKRLDGSVDFKKNWIQYKEGFGHLSPTGTTEFWLGNEKIHLISTQSAIPYALRVELEDWNGRTSTADYAMFKVGPEADKYRLTYAYFAGGDAGDAFDGFDFGDDPSDKFFTSHNGMQFSTWDNDNDKFEGNCAEQDGSGWWMNKCHAGHLNGVYYQGGTYSKASTPNGYDNGIIWATWKTRWYSMKKTTMKIIPFNRLTIGEKHQLYIDETVNSNIPTNLRVLRSILENLRSKIQKLESDVSAQMEYCRTPCTVSCNIPVVSGKECEEIIRKGGETSEMYLIQPDSSVKPYRVYCDMNTENGGWTVIQNRQDGSVDFGRKWDPYKQGFGNVATNTDGKNYCGLPGEYWLGNDKISQLTRMGPTELLIEMEDWKGDKVKAHYGGFTVQNEANKYQISVNKYRGTAGNALMDGASQLMGENRTMTIHNGMFFSTYDRDNDGWLTSDPRKQCSKEDGGGWWYNRCHAANPNGRYYWGGQYTWDMAKHGTDDGVVWMNWKGSWYSMRKMSMKIRPFFPQ input pdb |
| Peptide sequence | KAREC |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCC |
| 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) | 37.6173 | 2.8976 | 32.1425 | 109 |
| cluster_2.pdb ( medoid) | 32.2822 | 4.86337 | 34.4924 | 157 |
| cluster_3.pdb ( medoid) | 29.9348 | 3.60784 | 46.6983 | 108 |
| cluster_4.pdb ( medoid) | 20.2337 | 5.38706 | 10.8626 | 109 |
| cluster_5.pdb ( medoid) | 9.8893 | 8.59515 | 34.8028 | 85 |
| cluster_6.pdb ( medoid) | 8.95386 | 7.37112 | 25.1811 | 66 |
| cluster_7.pdb ( medoid) | 8.95022 | 13.5192 | 48.188 | 121 |
| cluster_8.pdb ( medoid) | 2.93148 | 7.50475 | 20.4 | 22 |
| cluster_9.pdb ( medoid) | 1.97024 | 9.13595 | 22.0511 | 18 |
| cluster_10.pdb ( medoid) | 0.385166 | 15.5777 | 33.7411 | 6 |