Protein sequence(s) | SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMVLPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ input pdb |
Peptide sequence | GTACGESCYVLPCFTVGCTCTSSQCFKN |
Simulation mc cycles | 50 |
Peptide secondary structure psipred | CCCCCCCEEEEEEEEECCEEECHHHCCC |
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) | 54.2976 | 1.8417 | 3.77912 | 100 |
cluster_2.pdb ( medoid) | 26.2094 | 3.81543 | 7.26143 | 100 |
cluster_3.pdb ( medoid) | 17.7454 | 7.38219 | 24.5272 | 131 |
cluster_4.pdb ( medoid) | 13.3098 | 8.33973 | 16.2648 | 111 |
cluster_5.pdb ( medoid) | 12.5019 | 9.59856 | 20.2213 | 120 |
cluster_6.pdb ( medoid) | 9.91838 | 12.0987 | 32.1514 | 120 |
cluster_7.pdb ( medoid) | 8.16785 | 12.488 | 28.7428 | 102 |
cluster_8.pdb ( medoid) | 8.038 | 13.8094 | 30.6589 | 111 |
cluster_9.pdb ( medoid) | 6.98219 | 8.02041 | 26.1474 | 56 |
cluster_10.pdb ( medoid) | 4.92163 | 9.95605 | 29.7916 | 49 |