| Protein sequence(s) | MDPKISEMHPALRLVDPQIQQLAVTRMNNVGPKVVYPIILRLGSPLSSLNMARKTLNSLEDKAFQLTPIAVVQMTKLATTEELPDEFVVVTVKISEMHPALRLVDPQIQLAVTPKVYPIILRLGSPLSLNMARKTLNSLEDKAFQLTPIAVQMTKLATTEELPDEFVVVTVK input pdb |
| Peptide sequence | RETLVRKVVLQKRVKSRYSWSK |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCHHHHHHHHHHHHHCCCCCC |
| 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) | 22.4602 | 7.21276 | 22.7196 | 162 |
| cluster_2.pdb ( medoid) | 18.4783 | 4.16706 | 21.7921 | 77 |
| cluster_3.pdb ( medoid) | 15.7872 | 8.55123 | 25.0695 | 135 |
| cluster_4.pdb ( medoid) | 12.1084 | 8.83685 | 32.7662 | 107 |
| cluster_5.pdb ( medoid) | 10.1341 | 12.9266 | 30.3791 | 131 |
| cluster_6.pdb ( medoid) | 10.0215 | 11.9742 | 22.849 | 120 |
| cluster_7.pdb ( medoid) | 8.13408 | 12.7857 | 28.075 | 104 |
| cluster_8.pdb ( medoid) | 6.16978 | 11.3456 | 23.7324 | 70 |
| cluster_9.pdb ( medoid) | 6.01841 | 9.13863 | 27.3677 | 55 |
| cluster_10.pdb ( medoid) | 2.71074 | 14.3872 | 24.4167 | 39 |