Protein sequence(s) | MNMNVLVLCFVLSVSAEGLHVDRQVTGCSDHDGEQAYNLDGEELWFADFIKKEGVEPQPPFVDHMTYRDGTYQQAEANQQACKTSLDVLRTAMKDFKIEDEPPSSPMIYTRDAVELGGENTLICHVTGFYPAPVHVYWTKNGVDVTEGTSLNVPYPNTDGSFRQTARLKFIAQQGDVYSCTVSHLALDQSLTKIWDVDVQQPSVGPAVFCGVGLSVGLLGVAAGTFFLIKGNECSMASFILSFSLFFITVCTANGFRYYVVNSCEFNSSKLNDIEFTESYYYNKLEYIRFSSSVGKFVGYTEHGIKNAERWNNGPEVISSRGEKERYCLNNVGVDVESALTNTQTLRQASLCGAPSWQTCMLVCSVFDFYPKRIKVSWQRDGQEVTSDVTSTDELADGDWYYQIHSHLEYMPKSGEKISCVVEHASLSKPLITDWDPSMPESERNKIAIGTSGLILGLTLSLAGFIYYKRKAQGRILVPTN input pdb | ||
Peptide sequence | FVKLVSWYDNETGYS | ||
Simulation mc cycles | 50 | ||
Peptide secondary structure psipred | CCEEEEECCCCCCCC | ||
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) | 51.1642 | 1.97404 | 22.6915 | 101 |
cluster_2.pdb ( medoid) | 39.1346 | 2.78526 | 19.9603 | 109 |
cluster_3.pdb ( medoid) | 37.0979 | 2.69557 | 8.89564 | 100 |
cluster_4.pdb ( medoid) | 15.1578 | 11.0834 | 28.3945 | 168 |
cluster_5.pdb ( medoid) | 14.8647 | 6.18915 | 14.7453 | 92 |
cluster_6.pdb ( medoid) | 12.1198 | 4.86808 | 13.4743 | 59 |
cluster_7.pdb ( medoid) | 11.3422 | 6.87696 | 20.3867 | 78 |
cluster_8.pdb ( medoid) | 9.59833 | 7.50131 | 28.7977 | 72 |
cluster_9.pdb ( medoid) | 5.45166 | 14.8579 | 35.7833 | 81 |
cluster_10.pdb ( medoid) | 3.6702 | 10.8986 | 40.4649 | 40 |