Table 2 In silico predicted interactions between Pa-MAP 1.9 and anionic/zwitterionic mimetic membranes revealing the types and distances of atomic interactions occurring in these complexes.
From: A polyalanine peptide derived from polar fish with anti-infectious activities
Pa-MAP 1.9 | Distances (Å) | POPC/POPS (50:50) | Interactions | ||||
|---|---|---|---|---|---|---|---|
Residues | Positions | Atom Names | Lipids | Positions | Atom Names | ||
Leu | 1 | N | 3.6 | POPS | 27 | O14 | HB |
Lys | 4 | NZ | 3.5 | POPC | 10 | O14 | SB |
Lys | 7 | NZ | 3.6 | POPC | 18 | O13 | SB |
Thr | 10 | OG1 | 3.1 | POPS | 6 | O13 | HB |
Lys | 11 | NZ | 3.6 | POPS | 6 | O13 | SB |
Lys | 11 | O | 3.3 | POPS | 3 | N | HB |
Ala | 15 | O | 3.5 | POPS | 2 | O13 | HB |
Lys | 18 | NZ | 3.5 | POPS | 4 | O13 | SB |
Lys | 18 | O | 3.5 | POPS | 4 | O13 | HB |
Ala | 22 | O | 2.8 | POPS | 9 | O13 | HB |
Pa -MAP 1.9 | POPC/Chol (70:30) | ||||||
Ala | 2 | O | 2.7 | Chol | 7 | O3 | HB |
Thr | 6 | OG1 | 3.0 | Chol | 7 | O3 | HB |
Thr | 10 | OG1 | 2.8 | Chol | 2 | O3 | HB |
Thr | 13 | OG1 | 3.4 | Chol | 9 | O3 | HB |
Thr | 17 | O | 3.2 | Chol | 15 | O3 | HB |
Thr | 28 | OG1 | 2.7 | Chol | 50 | O3 | HB |
