| Protein sequence(s) | APKAKIVLVGSGMIGGVMATLIVQKNLGDVVLFDIVKNMPHGKALDTSHTNVMAYSNCKVSGSNTYDDLAGADVVIVTAGFTKAPGKSDKEWNRDDLLPLNNKIMIEIGGHIKKNCPNAFIIVVTNPVDVMVQLLHQHSGVPKNKIIGLGGVLDTSRLKYYISQKLNVCPRDVNAHIVGAHGNKMVLLKRYITVGGIPLQEFINNKLISDAELEAIFDRTVNTALEIVNLHASPYVAPAAAIIEMAESYLKDLKKVLICSTLLEGQYGHSDIFGGTPVVLGANGVEQVIELQLNSEEKAKFDEAIAETKRMKALA input pdb |
| Peptide sequence | LISDAELEAIFEAELDC |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCHHHHHHHHHHHHCC |
| 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) | 23.3167 | 6.21873 | 18.2143 | 145 |
| cluster_2.pdb ( medoid) | 21.2347 | 7.86449 | 19.0985 | 167 |
| cluster_3.pdb ( medoid) | 20.3401 | 4.57224 | 26.3002 | 93 |
| cluster_4.pdb ( medoid) | 18.3892 | 6.57994 | 44.0586 | 121 |
| cluster_5.pdb ( medoid) | 18.0007 | 5.722 | 43.3275 | 103 |
| cluster_6.pdb ( medoid) | 10.0707 | 9.13544 | 19.1695 | 92 |
| cluster_7.pdb ( medoid) | 9.89908 | 6.66729 | 17.4223 | 66 |
| cluster_8.pdb ( medoid) | 9.82612 | 7.63271 | 25.3239 | 75 |
| cluster_9.pdb ( medoid) | 6.82236 | 10.1138 | 47.2172 | 69 |
| cluster_10.pdb ( medoid) | 5.84578 | 11.8034 | 30.395 | 69 |