Protein sequence(s) | MNMNVLVLCFVLSVSAEGLHVDRQVIGCSDHDGEQAYNLDGEEMWFADFIKREGVEPQPPFIDHITYVDGTYQGAEANQHVCKSNLDVSRTAMKDFKIEDEPPSSPMIYTRDAVELGGENTLICHVTGFYPAPVHVYWTKNGVDVTEGTSLNVPYPNTDGSFRQTARLKFIAQQGDVYSCTVSHLALDQSLTKIWDVDVQQPSVGPAVFCGVGLSVGLLGVAAGTFFLIKGNECSMASFILSFSLFFITVCTANGFRYYVVNSCEFNSSKLNDIEFTESYYYNKLEYIRFSSSVGKFVGYTEHGIKNAERWNNGPEVISSRGEKERYCLNNVGVDVESALTNTQTLRQASLCGAPSWQTCMLVCSVFDFYPKRIKVSWQRDGQEVTSDVTSTDELADGDWYYQIHSHLEYMPKSGEKISCVVEHASLSKPLITDWDPSMPESERNKIAIGTSGLILGLTLSLAGFIYYKRKAQGRILVPTN input pdb | ||
Peptide sequence | SVFDADAGISLNDNF | ||
Simulation mc cycles | 50 | ||
Peptide secondary structure psipred | CCCCCCCCCCCCCCC | ||
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) | 81.0709 | 1.23349 | 2.58424 | 100 |
cluster_2.pdb ( medoid) | 53.1093 | 2.31598 | 5.58691 | 123 |
cluster_3.pdb ( medoid) | 35.2603 | 3.54507 | 9.738 | 125 |
cluster_4.pdb ( medoid) | 20.0548 | 3.78961 | 24.0696 | 76 |
cluster_5.pdb ( medoid) | 19.9435 | 5.01416 | 12.5454 | 100 |
cluster_6.pdb ( medoid) | 9.48269 | 15.3965 | 45.2561 | 146 |
cluster_7.pdb ( medoid) | 8.43899 | 5.0954 | 14.8724 | 43 |
cluster_8.pdb ( medoid) | 6.63077 | 21.4153 | 56.5653 | 142 |
cluster_9.pdb ( medoid) | 3.40176 | 12.6405 | 39.7733 | 43 |
cluster_10.pdb ( medoid) | 1.0975 | 17.3121 | 38.8076 | 19 |