| Protein sequence(s) | NKTAWELPKTYVSPTHVGSGAYGSVCSAIDKRSGEKVAIKKLSRPFQSEIFAKRAYRELLLLKHMQHENVIGLLDVFTPASSLRNFYDFYLVMPFMQTDLQKIMGMEFSEEKIQYLVYQMLKGLKYIHSAGVVHRDLKPGNLAVNEDCELKILDFGLARHADAEMTGYVVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAEMLTGKTLFKGKDYLDQLTQILKVTGVPGTEFVQKLNDKAAKSYIQSLPQTPRKDFTQLFPRASPQAADLLEKMLELDVDKRLTAAQALTHPFFEPFRDPEEETEAQQPFDDSLEHEKLTVDEWKQHIYKEIVNFSPNKTAWELPKTYVSPTHVGSGAYGSVCSAIDKRSGEKVAIKKLSRPFQSEIFAKRAYRELLLLKHMQHENVIGLLDVFTPASSLRNFYDFYLVMPFMQTDLQKIMGMEFSEEKIQYLVYQMLKGLKYIHSAGVVHRDLKPGNLAVNEDCELKILDFGLARHADAEMTGYVVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAEMLTGKTLFKGKDYLDQLTQILKVTGVPGTEFVQKLNDKAAKSYIQSLPQTPRKDFTQLFPRASPQAADLLEKMLELDVDKRLTAAQALTHPFFEPFRDPEEETEAQQPFDDSLEHEKLTVDEWKQHIYKEIVNFSP input pdb |
| Peptide sequence | YAASSYLTLTGSEWK |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCEEECCCCCC |
| 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) | 22.4515 | 4.76584 | 39.8252 | 107 |
| cluster_2.pdb ( medoid) | 19.6369 | 5.90723 | 50.1583 | 116 |
| cluster_3.pdb ( medoid) | 17.3972 | 5.74804 | 9.52781 | 100 |
| cluster_4.pdb ( medoid) | 17.0063 | 7.87944 | 43.9386 | 134 |
| cluster_5.pdb ( medoid) | 15.5868 | 7.76296 | 43.3999 | 121 |
| cluster_6.pdb ( medoid) | 13.4019 | 8.43161 | 36.8238 | 113 |
| cluster_7.pdb ( medoid) | 10.2389 | 13.5757 | 45.0197 | 139 |
| cluster_8.pdb ( medoid) | 7.81985 | 8.8237 | 19.21 | 69 |
| cluster_9.pdb ( medoid) | 6.07903 | 8.06049 | 23.4763 | 49 |
| cluster_10.pdb ( medoid) | 2.82871 | 18.3829 | 43.5158 | 52 |