| Protein sequence(s) | MAQAPADPGREGHLEQRILQVLTEAGSPVKLAQLVKECQAPKRELNQVLYRMKKELKVSLTSPATWCLGGTDPEGEGPAELALSSPAERPQQHAATIPETPGPQFSQQREEDIYRFLKDNGPQRALVIAQALGMRTAKDVNRDLYRMKSRHLLDMDEQSKAWTIYRPEDSGRRAKSASIIYQHNPINMICQNGPNSWISIANSEAIQIGHGNIITRQTVSREDGSAGPRHLPSMAPGDSSTWGTLVDPWGPQDIHMEQSILRRVQLGHSNEMRLHGVPSEGPAHIPPGSPPVSATAAGPEASFEARIPSPGTHPEGEAAQRIHMKSCFLEDATIGNSNKMSISPGVAGPGGVAGSGEGEPGEDAGRRPADTQSRSHFPRDIGQPITPSHSKLTPKLETMTLGNRSHKAAEGSHYVDEASHEGSWWGGGI input pdb |
| Peptide sequence | RRRVQLFGSNDARRR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCCCCCCC |
| 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) | 103.229 | 0.997778 | 6.91956 | 103 |
| cluster_2.pdb ( medoid) | 31.7489 | 3.21271 | 19.9285 | 102 |
| cluster_3.pdb ( medoid) | 31.3301 | 3.09607 | 5.49039 | 97 |
| cluster_4.pdb ( medoid) | 30.4296 | 3.28628 | 9.067 | 100 |
| cluster_5.pdb ( medoid) | 24.3655 | 2.05208 | 4.20593 | 50 |
| cluster_6.pdb ( medoid) | 18.6864 | 2.78277 | 22.9993 | 52 |
| cluster_7.pdb ( medoid) | 11.8492 | 8.18622 | 19.3458 | 97 |
| cluster_8.pdb ( medoid) | 8.37569 | 5.01451 | 9.85476 | 42 |
| cluster_9.pdb ( medoid) | 7.70464 | 8.43647 | 19.0553 | 65 |
| cluster_10.pdb ( medoid) | 2.48514 | 6.03587 | 16.5503 | 15 |