| Protein sequence(s) | VKSLKKEYSNENAVVKRMQSLQLDCVAVPSSRSNSATEQPGSLHSSQGLGMGPVEESWFAPSLEHPQEENEPSLQSKLQDEANYHLYGSRMDRQTKQQPRQNVAYNREEERRRRVSHDPFAQQRPYENFQNTEGKGTAYSSAASHGNAVHQPSGLTSQPQVLYQNNGLYSSHGFGTRPLDPGTAGPRVWYRPIPSHMPSLHNIPVPETNYLGNTPTMPFSSLPPTDESIKYTIYNSTGIQIGAYNYMEIGGTSSSLLDSTNTNFKEEPAAKYQAIFDNTTSLTDKHLDPIRENLGKHWKNCARKLGFTQSQIDEIDHDYERDGLKEKVYQMLQKWVMREGIKGATVGKLAQALHQCSRIDLLSSLIYVSQN input pdb |
| Peptide sequence | RRRVQLYPGSNDARRRH |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCCCCHHHCC |
| 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) | 13.9156 | 11.4979 | 40.0016 | 160 |
| cluster_2.pdb ( medoid) | 13.8601 | 10.8225 | 41.0766 | 150 |
| cluster_3.pdb ( medoid) | 13.5528 | 10.1824 | 37.273 | 138 |
| cluster_4.pdb ( medoid) | 8.79556 | 15.8034 | 56.4993 | 139 |
| cluster_5.pdb ( medoid) | 7.92788 | 9.33414 | 28.8217 | 74 |
| cluster_6.pdb ( medoid) | 6.98922 | 15.5954 | 36.379 | 109 |
| cluster_7.pdb ( medoid) | 5.45725 | 15.3924 | 40.4708 | 84 |
| cluster_8.pdb ( medoid) | 4.29645 | 11.8703 | 33.4599 | 51 |
| cluster_9.pdb ( medoid) | 3.12935 | 14.38 | 26.6962 | 45 |
| cluster_10.pdb ( medoid) | 3.08379 | 16.2138 | 32.5834 | 50 |