| Protein sequence(s) | GSSHSMRYFFTSVSRPGRGEPRFIAVVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSSQQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRW input pdb |
| Peptide sequence | KWTLQDVSLEVYLTAP |
| Simulation mc cycles | 200 |
| Peptide secondary structure psipred | CCCCEEEEEEEEEECC |
| 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) | 31.3819 | 4.11064 | 21.9516 | 129 |
| cluster_2.pdb ( medoid) | 29.2157 | 5.23691 | 18.1125 | 153 |
| cluster_3.pdb ( medoid) | 27.2666 | 3.88754 | 13.8691 | 106 |
| cluster_4.pdb ( medoid) | 13.7822 | 7.76364 | 15.9587 | 107 |
| cluster_5.pdb ( medoid) | 13.4836 | 9.41882 | 24.8566 | 127 |
| cluster_6.pdb ( medoid) | 11.2062 | 6.33576 | 14.129 | 71 |
| cluster_7.pdb ( medoid) | 9.66897 | 10.0321 | 25.885 | 97 |
| cluster_8.pdb ( medoid) | 9.17971 | 7.73445 | 21.2691 | 71 |
| cluster_9.pdb ( medoid) | 8.08145 | 11.7553 | 31.6587 | 95 |
| cluster_10.pdb ( medoid) | 4.67972 | 9.40226 | 25.1231 | 44 |