| Protein sequence(s) | GSSHSMRYFFTSVSRPGRGEPRFIAVVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSSQQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRW input pdb |
| Peptide sequence | CEEASVTVVEGQVDYYGLYYVHEGIR |
| Simulation mc cycles | 200 |
| Peptide secondary structure psipred | CCCCEEEEEEEEEEEEEEEEEECCCC |
| 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) | 26.3506 | 7.81765 | 32.0786 | 206 |
| cluster_2.pdb ( medoid) | 24.2418 | 4.12511 | 9.31018 | 100 |
| cluster_3.pdb ( medoid) | 21.0712 | 5.88481 | 23.8244 | 124 |
| cluster_4.pdb ( medoid) | 18.3876 | 8.7559 | 27.8788 | 161 |
| cluster_5.pdb ( medoid) | 7.8956 | 12.7919 | 32.4293 | 101 |
| cluster_6.pdb ( medoid) | 7.41846 | 10.3795 | 23.4709 | 77 |
| cluster_7.pdb ( medoid) | 7.09496 | 6.62442 | 23.4831 | 47 |
| cluster_8.pdb ( medoid) | 5.69085 | 14.5848 | 35.7999 | 83 |
| cluster_9.pdb ( medoid) | 5.4998 | 11.0913 | 25.0816 | 61 |
| cluster_10.pdb ( medoid) | 4.47383 | 8.94088 | 31.1461 | 40 |