| Protein sequence(s) | QVQLQQSGAELARPGASVKMSCKASGYTFTRYTMHWVKQRPGQGLEWIGYINPSRGYTNYNQKFKDKATLTTDKSSSTAYMQLSSLTSEDSAVYYCARYYDDHYCLDYWGQGTTLTVSSAKTTAPSVYPLAPVCGGTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRQIVLTQSPAIMSASPGEKVTMTCSASSSVSYMNWYQQKSGTSPKRWIYDTSKLASGVPAHFRGSGSGTSYSLTISGMEAEDAATYYCQQWSSNPFTFGSGTKLEINRADTAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC input pdb |
| Peptide sequence | GGSGG |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCC |
| 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) | 21.0661 | 6.40841 | 21.0881 | 135 |
| cluster_2.pdb ( medoid) | 19.5816 | 7.04744 | 35.9245 | 138 |
| cluster_3.pdb ( medoid) | 13.4672 | 8.91053 | 30.5567 | 120 |
| cluster_4.pdb ( medoid) | 12.989 | 9.00765 | 35.3152 | 117 |
| cluster_5.pdb ( medoid) | 10.9523 | 11.687 | 51.7543 | 128 |
| cluster_6.pdb ( medoid) | 8.32823 | 10.2062 | 46.7139 | 85 |
| cluster_7.pdb ( medoid) | 6.61224 | 16.4846 | 39.5798 | 109 |
| cluster_8.pdb ( medoid) | 6.00854 | 10.9844 | 28.4666 | 66 |
| cluster_9.pdb ( medoid) | 3.31561 | 18.6994 | 43.177 | 62 |
| cluster_10.pdb ( medoid) | 2.228 | 17.9533 | 41.9681 | 40 |