| Protein sequence(s) | GSSHSMRYFFTSVSRPGRGEPRFIAVVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSSQQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRW input pdb |
| Peptide sequence | VTLTYDSEWQRDQFLSQVKI |
| Simulation mc cycles | 200 |
| Peptide secondary structure psipred | CCCCCCCHHHHHHHHHHCCC |
| 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) | 54.3435 | 1.2145 | 6.5815 | 66 |
| cluster_2.pdb ( medoid) | 42.0218 | 5.23538 | 15.6688 | 220 |
| cluster_3.pdb ( medoid) | 33.9764 | 1.11842 | 4.16596 | 38 |
| cluster_4.pdb ( medoid) | 32.2197 | 3.16576 | 5.82147 | 102 |
| cluster_5.pdb ( medoid) | 24.1252 | 9.98955 | 37.2963 | 241 |
| cluster_6.pdb ( medoid) | 24.0786 | 3.44704 | 8.57314 | 83 |
| cluster_7.pdb ( medoid) | 9.45047 | 11.2164 | 25.2097 | 106 |
| cluster_8.pdb ( medoid) | 8.0895 | 6.92256 | 17.1302 | 56 |
| cluster_9.pdb ( medoid) | 6.03385 | 11.9327 | 31.4999 | 72 |
| cluster_10.pdb ( medoid) | 3.38332 | 4.72908 | 9.83228 | 16 |