| Protein sequence(s) | NQFVQPSWRIALWSLAYGVVVAVAVLGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASMAAFNTLVNFIYALHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKTKVMPGRTLCFVQWPEGPKQHFTYHIIVIILVYCFPLLIMGITYTIVGITLWGEQLKAKRKVVKMMIIVVMTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKR input pdb |
| Peptide sequence | KVLNGPEEE |
| 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) | 42.2427 | 2.41462 | 5.58527 | 102 |
| cluster_2.pdb ( medoid) | 39.1146 | 2.73555 | 5.68737 | 107 |
| cluster_3.pdb ( medoid) | 25.1041 | 8.56432 | 29.4977 | 215 |
| cluster_4.pdb ( medoid) | 25.0712 | 2.75216 | 9.60466 | 69 |
| cluster_5.pdb ( medoid) | 22.1122 | 1.04015 | 4.61254 | 23 |
| cluster_6.pdb ( medoid) | 16.2031 | 8.70203 | 27.6897 | 141 |
| cluster_7.pdb ( medoid) | 15.388 | 9.87781 | 25.8593 | 152 |
| cluster_8.pdb ( medoid) | 6.67262 | 13.3381 | 31.5231 | 89 |
| cluster_9.pdb ( medoid) | 4.35939 | 11.2401 | 22.6626 | 49 |
| cluster_10.pdb ( medoid) | 4.05136 | 13.082 | 33.3578 | 53 |