Protein sequence(s) | MNMNVLVLCFVLSVSAEGLHVDRQVTGCSDHDGEQAYNLDGEELWFADFIKKEGVEPQPPFVDHMTYRDGTYQQAEANQQACKTSLDVLRTAMKDFKIEDEPPSSPMIYTRDAVELGGENTLICHVTGFYPAPVHVYWTKNGVDVTEGTSLNVPYPNTDGSFRQTARLKFIAQQGDVYSCTVSHLALDQSLTKIWDVDVQQPSVGPAVFCGVGLSVGLLGVAAGTFFLIKGNECSMASFILSFSLFFITVCTANGFRYYVVNSCEFNSSKLNDIEFTESYYYNKLEYIRFSSSVGKFVGYTEHGIKNAERWNNGPEVISSRGEKERYCLNNVGVDVESALTNTQTLRQASLCGAPSWQTCMLVCSVFDFYPKRIKVSWQRDGQEVTSDVTSTDELADGDWYYQIHSHLEYMPKSGEKISCVVEHASLSKPLITDWDPSMPESERNKIAIGTSGLILGLTLSLAGFIYYKRKAQGRILVPTN input pdb | ||
Peptide sequence | TSEGCFKYFSKAYDV | ||
Simulation mc cycles | 50 | ||
Peptide secondary structure psipred | CCCHHHHHHHHHCCC | ||
Flexible 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) | 38.7803 | 5.38934 | 34.1495 | 209 |
cluster_2.pdb ( medoid) | 21.7469 | 2.5291 | 5.78356 | 55 |
cluster_3.pdb ( medoid) | 15.2284 | 3.34901 | 25.9854 | 51 |
cluster_4.pdb ( medoid) | 14.7302 | 4.88791 | 9.78295 | 72 |
cluster_5.pdb ( medoid) | 11.9616 | 13.1254 | 43.9131 | 157 |
cluster_6.pdb ( medoid) | 11.5877 | 13.2899 | 35.7935 | 154 |
cluster_7.pdb ( medoid) | 11.5103 | 4.86522 | 8.72299 | 56 |
cluster_8.pdb ( medoid) | 6.20533 | 8.05759 | 31.0731 | 50 |
cluster_9.pdb ( medoid) | 4.45036 | 17.7514 | 38.5548 | 79 |
cluster_10.pdb ( medoid) | 1.91032 | 13.0868 | 30.5147 | 25 |