| Protein sequence(s) | GSEGRWRVIPYDVLPDWLKDNDYLLHGHRPPMPSFRACFKSIFRIHTETGNIWTHLLGFVLFLFLGILTMLRPNMYFMAPLQEKVVFGMFFLGAVLCLSFSWLFHTVYCHSEKVSRTFSKLDYSGIALLIMGSFVPWLYYSFYCSPQPRLIYLSIVCVLGISAIIVAQWDRFATPKHRQTRAGVFLGLGLSGVVPTMHFTIAEGFVKATTVGQMGWFFLMAVMYITGAGLYAARIPERFFPGKFDIWFQSHQIFHVLVVAAAFVHFYGVSNLQEFRYGLEGGEVLLQQSGPELVKPGASVRITCKASGYTFTDFNMDWVKQSPGKSLEWIGDFNPNSGGSIYNQKFKDKATFTVDKSSSTAYMELRSLTFEDTAVYYCARETGTAWFAYWGQGTLVTVSAADIQMTQSPASLSASVGETVTITCRASGNIHNFLAWYQQKQGKSPQVLVYNAKTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYCQQFWSTPYTFGGGTKLEIN input pdb |
| Peptide sequence | LSSPATL |
| 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) | 23.6878 | 5.61471 | 21.8044 | 133 |
| cluster_2.pdb ( medoid) | 19.6913 | 1.2696 | 8.7723 | 25 |
| cluster_3.pdb ( medoid) | 16.1255 | 8.1858 | 28.1053 | 132 |
| cluster_4.pdb ( medoid) | 14.2092 | 4.71524 | 26.7867 | 67 |
| cluster_5.pdb ( medoid) | 12.6051 | 10.4719 | 42.7833 | 132 |
| cluster_6.pdb ( medoid) | 10.7664 | 11.2387 | 34.1402 | 121 |
| cluster_7.pdb ( medoid) | 10.2384 | 14.7484 | 50.8798 | 151 |
| cluster_8.pdb ( medoid) | 10.2012 | 7.54813 | 17.8888 | 77 |
| cluster_9.pdb ( medoid) | 9.17772 | 5.44798 | 26.6144 | 50 |
| cluster_10.pdb ( medoid) | 8.88097 | 12.6112 | 66.5163 | 112 |