| Protein sequence(s) | QIDLNITCRFAGVFHVEKNGRYSISRTEAADLCKAFNSTLPTMAQMEKALSIGFETCRYGFIEGHVVIPRIHPNSICAANNTGVYILTSNTSQYDTYCFNASAPPEEDCTSVTDLPNAFDGPITITIVNRDGTRYVQKGEYRTNPEDIYPSNPTDDDV input pdb | |||||||||
| Peptide sequence | WDSRGKDSYETSQL | |||||||||
| Simulation mc cycles | 50 | |||||||||
| Peptide secondary structure psipred | CCCCCCCCCCCCCC | |||||||||
Flexible regions |
|
|||||||||
Unlikely to bind regions |
|
| 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) | 41.6372 | 3.84272 | 30.9881 | 160 |
| cluster_2.pdb ( medoid) | 28.1933 | 7.66141 | 23.0671 | 216 |
| cluster_3.pdb ( medoid) | 23.7547 | 4.88323 | 34.1522 | 116 |
| cluster_4.pdb ( medoid) | 12.8245 | 8.7333 | 34.9515 | 112 |
| cluster_5.pdb ( medoid) | 9.56387 | 8.88761 | 20.7896 | 85 |
| cluster_6.pdb ( medoid) | 8.9706 | 6.57704 | 31.6833 | 59 |
| cluster_7.pdb ( medoid) | 8.30018 | 6.50588 | 30.1745 | 54 |
| cluster_8.pdb ( medoid) | 5.72228 | 15.2037 | 38.5205 | 87 |
| cluster_9.pdb ( medoid) | 4.91858 | 11.9953 | 24.9918 | 59 |
| cluster_10.pdb ( medoid) | 3.88546 | 13.3832 | 34.5283 | 52 |
