| Protein sequence(s) | GSEGRWRVIPYDVLPDWLKDNDYLLHGHRPPMPSFRACFKSIFRIHTETGNIWTHLLGFVLFLFLGILTMLRPNMYFMAPLQEKVVFGMFFLGAVLCLSFSWLFHTVYCHSEKVSRTFSKLDYSGIALLIMGSFVPWLYYSFYCSPQPRLIYLSIVCVLGISAIIVAQWDRFATPKHRQTRAGVFLGLGLSGVVPTMHFTIAEGFVKATTVGQMGWFFLMAVMYITGAGLYAARIPERFFPGKFDIWFQSHQIFHVLVVAAAFVHFYGVSNLQEFRYGLEGGEVLLQQSGPELVKPGASVRITCKASGYTFTDFNMDWVKQSPGKSLEWIGDFNPNSGGSIYNQKFKDKATFTVDKSSSTAYMELRSLTFEDTAVYYCARETGTAWFAYWGQGTLVTVSAADIQMTQSPASLSASVGETVTITCRASGNIHNFLAWYQQKQGKSPQVLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYCQQFWSTPYTFGGGTKLEIN input pdb |
| Peptide sequence | WSLDASR |
| 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) | 24.8647 | 4.90656 | 23.7137 | 122 |
| cluster_2.pdb ( medoid) | 19.5842 | 7.09757 | 27.1696 | 139 |
| cluster_3.pdb ( medoid) | 18.8573 | 7.58328 | 25.4725 | 143 |
| cluster_4.pdb ( medoid) | 17.9543 | 11.6964 | 47.6351 | 210 |
| cluster_5.pdb ( medoid) | 15.3775 | 5.98278 | 28.852 | 92 |
| cluster_6.pdb ( medoid) | 13.2103 | 7.56983 | 27.2735 | 100 |
| cluster_7.pdb ( medoid) | 10.6728 | 3.27938 | 15.5266 | 35 |
| cluster_8.pdb ( medoid) | 10.2212 | 6.06585 | 14.5387 | 62 |
| cluster_9.pdb ( medoid) | 4.48951 | 16.2601 | 44.0795 | 73 |
| cluster_10.pdb ( medoid) | 1.357 | 17.6861 | 46.9977 | 24 |