| Protein sequence(s) | NKYLVEFRAGKMSLKGTTVTPDKRKGLVYIQQTDDSLIHFCWKDRTSGNVEDDLIIFPDDCEFKRVPQCPSGRVYVLKFKAGSKRLFFWMQEPKTDQDEEHCRKVNEYLNNPP input pdb |
| Peptide sequence | GPGSQEPEPPEPFEYIDD |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCCCCCCCCCC |
| 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) | 37.5238 | 4.55711 | 14.1237 | 171 |
| cluster_2.pdb ( medoid) | 28.1063 | 2.49055 | 29.358 | 70 |
| cluster_3.pdb ( medoid) | 21.6884 | 4.61076 | 11.114 | 100 |
| cluster_4.pdb ( medoid) | 21.5764 | 6.11778 | 17.8582 | 132 |
| cluster_5.pdb ( medoid) | 17.2045 | 7.78865 | 21.3869 | 134 |
| cluster_6.pdb ( medoid) | 14.7972 | 7.02835 | 13.9563 | 104 |
| cluster_7.pdb ( medoid) | 13.2437 | 7.32422 | 14.7811 | 97 |
| cluster_8.pdb ( medoid) | 12.3386 | 8.67201 | 17.714 | 107 |
| cluster_9.pdb ( medoid) | 8.75291 | 3.88442 | 18.202 | 34 |
| cluster_10.pdb ( medoid) | 4.9113 | 10.3842 | 19.2212 | 51 |