| Protein sequence(s) | VKSLKKEYSNENAVVKRMQSLQLDCVAVPSSRSNSATEQPGSLHSSQGLGMGPVEESWFAPSLEHPQEENEPSLQSKLQDEANYHLYGSRMDRQTKQQPRQNVAYNREEERRRRVSHDPFAQQRPYENFQNTEGKGTAYSSAASHGNAVHQPSGLTSQPQVLYQNNGLYSSHGFGTRPLDPGTAGPRVWYRPIPSHMPSLHNIPVPETNYLGNTPTMPFSSLPPTDESIKYTIYNSTGIQIGAYNYMEIGGTSSSLLDSTNTNFKEEPAAKYQAIFDNTTSLTDKHLDPIRENLGKHWKNCARKLGFTQSQIDEIDHDYERDGLKEKVYQMLQKWVMREGIKGATVGKLAQALHQCSRIDLLSSLIYVSQN input pdb |
| Peptide sequence | RRRRVQLFGDNAYRR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCEECCCCCCCCC |
| 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) | 24.1732 | 5.21239 | 28.4076 | 126 |
| cluster_2.pdb ( medoid) | 21.1927 | 5.19046 | 27.0494 | 110 |
| cluster_3.pdb ( medoid) | 17.3109 | 6.1233 | 26.8213 | 106 |
| cluster_4.pdb ( medoid) | 16.9914 | 7.59206 | 38.1912 | 129 |
| cluster_5.pdb ( medoid) | 12.8368 | 9.19234 | 27.6925 | 118 |
| cluster_6.pdb ( medoid) | 11.3325 | 8.82419 | 22.0697 | 100 |
| cluster_7.pdb ( medoid) | 9.28878 | 13.0265 | 47.2751 | 121 |
| cluster_8.pdb ( medoid) | 8.97313 | 12.4817 | 43.516 | 112 |
| cluster_9.pdb ( medoid) | 2.28219 | 23.6615 | 48.2276 | 54 |
| cluster_10.pdb ( medoid) | 1.98908 | 12.0659 | 33.8349 | 24 |