| Protein sequence(s) | CHQVRSFFQRLQPGLKWVPETPVPGSDLQVCLPKGPTCCSRKMEEKYQLTARLNMEQLLQSASMELKFLIIQNAAVFQEAFEIVVRHAKNYTNAMFKNNYPSLTPQAFEFVGEFFTDVSLYILGSDINVDDMVNELFDSLFPVIYTQLMNPGLPDSALDINECLRGARRDLKVFGNFPKLIMTQVSKSLQVTRIFLQALNLGIEVINTTDHLKFSKDCGRMLTRMWYCSYCQGLMMVKPCGGYCNVVMQGCMAGVVEIDKYWREYILSLEELVNGMYRIYDMENVLLGLFSTIHDSIQYVQKNAGKLTTTIGKLCTLSSRRRELIQKLKSFISFYSALPGYICSHSPVAENDTLCWNGQELVERYSQEPVVSQIIDKLKHINQLLRTMS input pdb | ||||||
| Peptide sequence | SNDRPPNILQKR | ||||||
| Simulation mc cycles | 50 | ||||||
| Peptide secondary structure psipred | CCCCCCCHHCCC | ||||||
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) | 32.3059 | 3.18827 | 23.425 | 103 |
| cluster_2.pdb ( medoid) | 21.0672 | 5.12644 | 42.6529 | 108 |
| cluster_3.pdb ( medoid) | 20.8683 | 5.79827 | 36.6158 | 121 |
| cluster_4.pdb ( medoid) | 13.8876 | 10.801 | 40.6198 | 150 |
| cluster_5.pdb ( medoid) | 11.6653 | 8.14383 | 27.207 | 95 |
| cluster_6.pdb ( medoid) | 7.20456 | 15.1293 | 49.8195 | 109 |
| cluster_7.pdb ( medoid) | 7.19248 | 15.1547 | 39.3107 | 109 |
| cluster_8.pdb ( medoid) | 6.929 | 11.8343 | 41.0872 | 82 |
| cluster_9.pdb ( medoid) | 4.04905 | 15.5592 | 36.5632 | 63 |
| cluster_10.pdb ( medoid) | 3.82999 | 15.6658 | 39.6943 | 60 |
