| Protein sequence(s) | YTPIDISLSLTQFLLSEFVPGAGFVLGLVDIIWGIFGPSQWDAFLVQIEQLINQRIEEFARNQAISRLEGLSNLYQIYAESFREWEADPTNPALREEMRIQFNDMNSALTTAIPLFAVQNYQVPLLSVYVQAANLHLSVLRDVSVFGQRWGFDAATINSRYNDLTRLIGNYTDHAVRWYNTGLERVWGPDSRDWIRYNQFRRELTLTVLDIVSLFPNYDSRTYPIRTVSQLTREIYTNPVLENFDGSFRGSAQGIEGSIRSPHLMDILNSITIYTDAHRGEYYWSGHQIMASPVGFSGPEFTFPLYGTMGNAAPQQRIVAQLGQGVYRTLSSTLYRRPFNNNQQLSVLDGTEFAYGTSSNLPSAVYRKSGTVDSLDEIPPQNNNVPPRQGFSHRLSHVSMFRSGFSNSSVSIIRAPMFSWIHRSAEFNNIIASDSITQIPLVKAHTLQSGTTVVRGPGFTGGDILRRTSGGPFAYTIVNINPQRYRARIRYASTTNLRIYVTVAGERIFAGQFNKTMDTGDPLTFQSFSYATINTAFTFPMSQSSFTVGADTFSSGNEVYIDRFELIPVTA input pdb |
| Peptide sequence | NITIHITDTNNK |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCEEEEEECCCC |
| 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) | 30.8663 | 3.43416 | 24.7295 | 106 |
| cluster_2.pdb ( medoid) | 13.9237 | 10.6293 | 37.0941 | 148 |
| cluster_3.pdb ( medoid) | 12.5686 | 7.71765 | 24.2776 | 97 |
| cluster_4.pdb ( medoid) | 11.6707 | 12.253 | 40.3018 | 143 |
| cluster_5.pdb ( medoid) | 10.8227 | 10.903 | 39.1613 | 118 |
| cluster_6.pdb ( medoid) | 10.6925 | 9.63294 | 39.4745 | 103 |
| cluster_7.pdb ( medoid) | 9.25774 | 13.6102 | 34.6225 | 126 |
| cluster_8.pdb ( medoid) | 6.45214 | 12.244 | 42.1207 | 79 |
| cluster_9.pdb ( medoid) | 4.37628 | 9.5972 | 23.4938 | 42 |
| cluster_10.pdb ( medoid) | 2.90815 | 13.0667 | 27.3014 | 38 |