Protein sequence(s) | LSIASIKVEGNAFWDSESGDRFYIRGVDYQPGGSSELEDPLADTNVCERDVKYFQELGINTIRVYSIDNTKNHTECMDTLAKAGIYVILDVNTPHSSITRSDAACSYNTDYLQEVFASIVEFAQFDNTLGFFAGNEVINDGPSLEAAPYVKAVVRDMKTFIKNRGFRTIPVGYSAASVDEYRLPSGLYFNCGDDDMARIDMYGINDYSWCGDASMTTSQYSQQMKDFANYTVPLFFSEFGCNAKRPRPFSEIEAIYSTEMSSVFSGGLVYEYSEEASNYGLVELKGDSVTTNDDFDNLKSQFEKTKNPSGDGGYLKSTGGNKCPPKSNIWNVTEEIPDTPKGA input pdb |
Peptide sequence | RSLEGYPFNPCLTEEQYKE |
Simulation mc cycles | 50 |
Peptide secondary structure psipred | CCCCCCCCCCCCCHHHHCC |
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) | 35.9973 | 3.36137 | 14.6662 | 121 |
cluster_2.pdb ( medoid) | 19.7635 | 5.36341 | 24.0782 | 106 |
cluster_3.pdb ( medoid) | 18.8557 | 7.21269 | 22.2058 | 136 |
cluster_4.pdb ( medoid) | 18.5641 | 6.67956 | 38.0594 | 124 |
cluster_5.pdb ( medoid) | 18.4178 | 7.05839 | 18.9662 | 130 |
cluster_6.pdb ( medoid) | 14.7915 | 8.99167 | 35.488 | 133 |
cluster_7.pdb ( medoid) | 8.22836 | 9.96553 | 37.848 | 82 |
cluster_8.pdb ( medoid) | 8.22321 | 9.24214 | 25.5722 | 76 |
cluster_9.pdb ( medoid) | 6.05058 | 8.92476 | 16.8026 | 54 |
cluster_10.pdb ( medoid) | 2.54844 | 14.9111 | 36.9769 | 38 |