| Protein sequence(s) | DVQLVESGGGVVQPGGSLRLSCVASGYVHKINFYGWYRQAPGKEREKVAHISIGDQTDYASAKGRFTISRDESKNTVYLQMNSLRPEDTAAYYCRALSRIWPYDYWGQGTLVTVSSDVQLVESGGGVVQPGGSLRLSCVASGYVHKINFYGWYRQAPGKEREKVAHISIGDQTDYADSAKGRFTISRDESKNTVYLQMNSLRPEDTAAYYCRALSRIWPYDYWGQGTLVTVSSDVQLVESGGGVVQPGGSLRLSCVASGYVHKINFYGWYRQAPGKEREKVAHISIQTDYAAKGRFTISRDESKNTVYLQMNSLRPEDTAAYYCRALSRIWPYDYWGQGTLVTVSS input pdb |
| Peptide sequence | IPSGSPFNR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCC |
| 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) | 43.8649 | 4.01232 | 33.281 | 176 |
| cluster_2.pdb ( medoid) | 29.5599 | 5.7172 | 31.0668 | 169 |
| cluster_3.pdb ( medoid) | 24.4579 | 7.23693 | 37.8253 | 177 |
| cluster_4.pdb ( medoid) | 20.5825 | 3.49812 | 10.6276 | 72 |
| cluster_5.pdb ( medoid) | 14.9624 | 7.01757 | 37.1048 | 105 |
| cluster_6.pdb ( medoid) | 11.4401 | 4.72023 | 10.7645 | 54 |
| cluster_7.pdb ( medoid) | 10.2243 | 7.92228 | 35.3061 | 81 |
| cluster_8.pdb ( medoid) | 4.58332 | 13.5273 | 34.8881 | 62 |
| cluster_9.pdb ( medoid) | 4.52811 | 11.263 | 38.0686 | 51 |
| cluster_10.pdb ( medoid) | 3.71302 | 14.2741 | 42.6921 | 53 |