| Protein sequence(s) | CHQVRGSDLQVCLPKGPTCCSRKMEEKYQLTARLNMEQLLQSASMELKFLIIQNAAVFQEAFEIVVRHAKNYTNAMFKNNYPSLTPQAFEFVGEFFTDVSLYILGSDINVDDMVNELFDSLFPVIYTQLMNPGLDINECLRGARRDLKVFGNFPKLIMTQVSKSLQVTRIFLQALNLGIEVINTTDHLKFSKDCGRMLTRMWYCSYCQGLMMVKPCGGYCNVVMQGCMAGVVEIDKYWREYILSLEELVNGMDMENVLLGLFSTIHDSIQYVQKNAGKLTTTIGKLCTLSSRRRELIQKLKSFISFYSALPGYICSHSPVAENDTLCWNGQELVERYSQEPVVSQIIDKLKHINQLLRTMS input pdb | |||
| Peptide sequence | KIDQFTIYFGFM | |||
| Simulation mc cycles | 50 | |||
| Peptide secondary structure psipred | CCCEEEEEEECC | |||
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) | 30.0804 | 5.68476 | 16.6624 | 171 |
| cluster_2.pdb ( medoid) | 18.9315 | 5.91608 | 42.6045 | 112 |
| cluster_3.pdb ( medoid) | 17.93 | 7.58506 | 39.4272 | 136 |
| cluster_4.pdb ( medoid) | 14.8824 | 5.91302 | 31.2902 | 88 |
| cluster_5.pdb ( medoid) | 9.59072 | 14.1804 | 37.797 | 136 |
| cluster_6.pdb ( medoid) | 9.17621 | 10.6798 | 31.4634 | 98 |
| cluster_7.pdb ( medoid) | 6.34929 | 17.1673 | 57.58 | 109 |
| cluster_8.pdb ( medoid) | 6.34194 | 11.6684 | 25.6052 | 74 |
| cluster_9.pdb ( medoid) | 4.21156 | 12.8219 | 40.3287 | 54 |
| cluster_10.pdb ( medoid) | 1.21591 | 18.0935 | 35.722 | 22 |