| Protein sequence(s) | VKSLKKEYSNENAVVKRMQSLQLDCVAVPSSRSNSATEQPGSLHSSQGLGMGPVEESWFAPSLEHPQEENEPSLQSKLQDEANYHLYGSRMDRQTKQQPRQNVAYNREEERRRRVSHDPFAQQRPYENFQNTEGKGTAYSSAASHGNAVHQPSGLTSQPQVLYQNNGLYSSHGFGTRPLDPGTAGPRVWYRPIPSHMPSLHNIPVPETNYLGNTPTMPFSSLPPTDESIKYTIYNSTGIQIGAYNYMEIGGTSSSLLDSTNTNFKEEPAAKYQAIFDNTTSLTDKHLDPIRENLGKHWKNCARKLGFTQSQIDEIDHDYERDGLKEKVYQMLQKWVMREGIKGATVGKLAQALHQCSRIDLLSSLIYVSQN input pdb |
| Peptide sequence | RRRRGGVQVFGSNTYRRR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCEEECCCCCCCCC |
| 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) | 13.593 | 9.34304 | 48.7304 | 127 |
| cluster_2.pdb ( medoid) | 12.8556 | 9.33447 | 30.8384 | 120 |
| cluster_3.pdb ( medoid) | 12.6189 | 11.0945 | 47.2004 | 140 |
| cluster_4.pdb ( medoid) | 9.01679 | 13.1976 | 38.6956 | 119 |
| cluster_5.pdb ( medoid) | 6.7313 | 14.856 | 29.1121 | 100 |
| cluster_6.pdb ( medoid) | 6.55747 | 17.5373 | 43.6126 | 115 |
| cluster_7.pdb ( medoid) | 5.0856 | 16.7139 | 38.7868 | 85 |
| cluster_8.pdb ( medoid) | 4.56568 | 15.1128 | 29.7519 | 69 |
| cluster_9.pdb ( medoid) | 4.54279 | 12.7675 | 31.3925 | 58 |
| cluster_10.pdb ( medoid) | 3.76987 | 17.7725 | 39.4941 | 67 |