| Protein sequence(s) | GSEGRWRVIPYDVLPDWLKDNDYLLHGHRPPMPSFRACFKSIFRIHTETGNIWTHLLGFVLFLFLGILTMLRPNMYFMAPLQEKVVFGMFFLGAVLCLSFSWLFHTVYCHSEKVSRTFSKLDYSGIALLIMGSFVPWLYYSFYCSPQPRLIYLSIVCVLGISAIIVAQWDRFATPKHRQTRAGVFLGLGLSGVVPTMHFTIAEGFVKATTVGQMGWFFLMAVMYITGAGLYAARIPERFFPGKFDIWFQSHQIFHVLVVAAAFVHFYGVSNLQEFRYGLEGGEVLLQQSGPELVKPGASVRITCKASGYTFTDFNMDWVKQSPGKSLEWIGDFNPNSGGSIYNQKFKDKATFTVDKSSSTAYMELRSLTFEDTAVYYCARETGTAWFAYWGQGTLVTVSAADIQMTQSPASLSASVGETVTITCRASGNIHNFLAWYQQKQGKSPQVLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYCQQFWSTPYTFGGGTKLEIN input pdb |
| Peptide sequence | KADAVTL |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCC |
| 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) | 24.3031 | 5.34911 | 16.9366 | 130 |
| cluster_2.pdb ( medoid) | 14.1549 | 8.97214 | 25.4469 | 127 |
| cluster_3.pdb ( medoid) | 12.8653 | 13.3693 | 43.3338 | 172 |
| cluster_4.pdb ( medoid) | 10.6234 | 12.8019 | 37.9213 | 136 |
| cluster_5.pdb ( medoid) | 9.9351 | 13.0849 | 32.2575 | 130 |
| cluster_6.pdb ( medoid) | 9.08899 | 11.7725 | 40.2763 | 107 |
| cluster_7.pdb ( medoid) | 6.93743 | 9.94605 | 21.1574 | 69 |
| cluster_8.pdb ( medoid) | 4.63417 | 8.41574 | 30.7167 | 39 |
| cluster_9.pdb ( medoid) | 4.41398 | 8.83557 | 17.8615 | 39 |
| cluster_10.pdb ( medoid) | 2.92861 | 17.4144 | 47.1412 | 51 |