| Protein sequence(s) | KNEEDAGKMFVGGLSWDTSKKDLKDYFTKFGEVVDCTIKMDPNTGRSRGFGFILFKDSSSVEKVLDQKEHRLDGRVIDPKKAMAMKKDPVKKIFVGGLNPEATEEKIREYFGQFGEIEAIELPIDPKLNKRRGFVFITFKEEDPVKKVLEKKFHTVSGSKCEIKVAQPKE input pdb |
| Peptide sequence | SKVWRHWRRFWHRAHRKL |
| Simulation mc cycles | 100 |
| Peptide secondary structure psipred | CHHHHHHHHHHHHHHHCC |
| 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) | 60.5607 | 2.2787 | 7.54873 | 138 |
| cluster_2.pdb ( medoid) | 35.4824 | 1.38097 | 7.47311 | 49 |
| cluster_3.pdb ( medoid) | 18.1432 | 11.2439 | 42.8208 | 204 |
| cluster_4.pdb ( medoid) | 17.3896 | 10.811 | 35.2149 | 188 |
| cluster_5.pdb ( medoid) | 16.0006 | 1.99993 | 7.87143 | 32 |
| cluster_6.pdb ( medoid) | 14.9162 | 9.45283 | 24.6997 | 141 |
| cluster_7.pdb ( medoid) | 14.1474 | 3.11012 | 5.63786 | 44 |
| cluster_8.pdb ( medoid) | 7.70857 | 8.95108 | 15.5155 | 69 |
| cluster_9.pdb ( medoid) | 7.0378 | 12.7881 | 33.2703 | 90 |
| cluster_10.pdb ( medoid) | 5.61249 | 8.01784 | 20.437 | 45 |