| Protein sequence(s) | VKSLKKEYSNENAVVKRMQSLQLDCVAVPSSRSNSATEQPGSLHSSQGLGMGPVEESWFAPSLEHPQEENEPSLQSKLQDEANYHLYGSRMDRQTKQQPRQNVAYNREEERRRRVSHDPFAQQRPYENFQNTEGKGTAYSSAASHGNAVHQPSGLTSQPQVLYQNNGLYSSHGFGTRPLDPGTAGPRVWYRPIPSHMPSLHNIPVPETNYLGNTPTMPFSSLPPTDESIKYTIYNSTGIQIGAYNYMEIGGTSSSLLDSTNTNFKEEPAAKYQAIFDNTTSLTDKHLDPIRENLGKHWKNCARKLGFTQSQIDEIDHDYERDGLKEKVYQMLQKWVMREGIKGATVGKLAQALHQCSRIDLLSSLIYVSQN input pdb |
| Peptide sequence | VQVFGDNNY |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCC |
| 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) | 20.1539 | 5.60687 | 35.586 | 113 |
| cluster_2.pdb ( medoid) | 18.7573 | 7.1972 | 25.8161 | 135 |
| cluster_3.pdb ( medoid) | 15.0339 | 9.24576 | 43.6137 | 139 |
| cluster_4.pdb ( medoid) | 13.1354 | 10.1253 | 49.7229 | 133 |
| cluster_5.pdb ( medoid) | 9.18713 | 14.4768 | 49.2564 | 133 |
| cluster_6.pdb ( medoid) | 7.59406 | 11.0613 | 32.1628 | 84 |
| cluster_7.pdb ( medoid) | 5.31927 | 15.9796 | 44.2917 | 85 |
| cluster_8.pdb ( medoid) | 3.64161 | 16.7508 | 38.7068 | 61 |
| cluster_9.pdb ( medoid) | 3.04223 | 21.3659 | 53.1844 | 65 |
| cluster_10.pdb ( medoid) | 2.54836 | 20.4053 | 50.1706 | 52 |