| Protein sequence(s) | QKYEKLEKIYGTVFKAKNRETHEIVALKRVRLDGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAARPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSSTSELLRCLGEFLCRRCYRLKHLSPTDPVLWLRSVDRSLLLQGWQDQGFITPANVVFLYMLCRDVISSEVGSDHELQAVLLTCLYLSYSYMGNEISYPLKPFLVESCKEAFWDRCLSVINLMSSKMLQINADPHYFTQVFSDLKNES input pdb | ||
| Peptide sequence | PIMPASPQK | ||
| Simulation mc cycles | 100 | ||
| Peptide secondary structure psipred | CCCCCCCCC | ||
Flexible regions |
|
| 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) | 91.777 | 0.664654 | 5.52982 | 61 |
| cluster_2.pdb ( medoid) | 36.6357 | 7.72472 | 38.9915 | 283 |
| cluster_3.pdb ( medoid) | 27.2904 | 4.03072 | 29.6656 | 110 |
| cluster_4.pdb ( medoid) | 22.6052 | 1.99069 | 23.3513 | 45 |
| cluster_5.pdb ( medoid) | 15.4818 | 9.7534 | 27.973 | 151 |
| cluster_6.pdb ( medoid) | 11.7566 | 8.59089 | 28.216 | 101 |
| cluster_7.pdb ( medoid) | 7.24059 | 14.3635 | 37.7609 | 104 |
| cluster_8.pdb ( medoid) | 6.67349 | 10.4893 | 31.1338 | 70 |
| cluster_9.pdb ( medoid) | 3.79364 | 13.18 | 27.6984 | 50 |
| cluster_10.pdb ( medoid) | 1.60692 | 15.5577 | 35.8207 | 25 |