Protein sequence(s) | SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMVLPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ input pdb |
Peptide sequence | GIPCGESCVFIPCITSVAGCSCKSKVCYRN |
Simulation mc cycles | 50 |
Peptide secondary structure psipred | CCCCCCCEEEEEECHHHHCCCCCCCCCCCC |
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) | 19.8374 | 6.45246 | 27.0126 | 128 |
cluster_2.pdb ( medoid) | 18.7844 | 5.9624 | 25.3311 | 112 |
cluster_3.pdb ( medoid) | 18.3 | 6.50272 | 18.6229 | 119 |
cluster_4.pdb ( medoid) | 16.9006 | 14.4373 | 42.7791 | 244 |
cluster_5.pdb ( medoid) | 15.5447 | 8.55595 | 25.2555 | 133 |
cluster_6.pdb ( medoid) | 5.94392 | 12.1132 | 23.1313 | 72 |
cluster_7.pdb ( medoid) | 5.49377 | 13.4698 | 34.636 | 74 |
cluster_8.pdb ( medoid) | 3.50778 | 14.254 | 36.8715 | 50 |
cluster_9.pdb ( medoid) | 2.94003 | 13.2652 | 28.3492 | 39 |
cluster_10.pdb ( medoid) | 1.94491 | 14.9107 | 30.1746 | 29 |