| Protein sequence(s) | VKSLKKEYSNENAVVKRMQSLQLDCVAVPSSRSNSATEQPGSLHSSQGLGMGPVEESWFAPSLEHPQEENEPSLQSKLQDEANYHLYGSRMDRQTKQQPRQNVAYNREEERRRRVSHDPFAQQRPYENFQNTEGKGTAYSSAASHGNAVHQPSGLTSQPQVLYQNNGLYSSHGFGTRPLDPGTAGPRVWYRPIPSHMPSLHNIPVPETNYLGNTPTMPFSSLPPTDESIKYTIYNSTGIQIGAYNYMEIGGTSSSLLDSTNTNFKEEPAAKYQAIFDNTTSLTDKHLDPIRENLGKHWKNCARKLGFTQSQIDEIDHDYERDGLKEKVYQMLQKWVMREGIKGATVGKLAQALHQCSRIDLLSSLIYVSQN input pdb |
| Peptide sequence | RRRVQLFGSNDARRY |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCEEECCCCCCCCC |
| 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) | 25.2134 | 4.44209 | 36.5327 | 112 |
| cluster_2.pdb ( medoid) | 15.5094 | 7.5438 | 48.3474 | 117 |
| cluster_3.pdb ( medoid) | 15.4248 | 7.58518 | 35.2292 | 117 |
| cluster_4.pdb ( medoid) | 15.3701 | 7.93749 | 33.0297 | 122 |
| cluster_5.pdb ( medoid) | 12.9952 | 9.46506 | 30.2197 | 123 |
| cluster_6.pdb ( medoid) | 7.36711 | 12.4879 | 35.6589 | 92 |
| cluster_7.pdb ( medoid) | 6.73672 | 14.6956 | 39.7682 | 99 |
| cluster_8.pdb ( medoid) | 6.19655 | 15.0083 | 32.6387 | 93 |
| cluster_9.pdb ( medoid) | 5.05821 | 11.4665 | 25.7223 | 58 |
| cluster_10.pdb ( medoid) | 3.39715 | 19.7224 | 46.6612 | 67 |