Table 1.
List of order parameters
dC-C | Distance between CA atoms of residues 43 in the two monomers. |
dH-O | Distance between hydrogen atom HG in the side chain of residue 21 (Cys/Ser) and oxygen atom O in the backbone of residue Gln17. |
di-j' | Distance between centers of mass of the side chains of residues at positions i and j in the other monomer, indicated by the prime symbol (′). These distances are calculated for the following pairs: |
(Antiparallel) Leu26-Val37′, Leu30-Leu33′, Leu33-Leu30′, and Val37-Leu26′, | |
(Parallel) Leu26-Leu26′, Leu30-Leu30′, Leu33-Leu33′, and Val37-Val37′. | |
N-H–O=C | Distance between hydrogen atom H in the backbone of residue n and oxygen atom O in the backbone of residue n+4. |
Σnhc | Sum of distances of native hydrophobic contacts. These distances include d26-37′, d30-33′, d33-30′, and d37-26′ for the antiparallel conformation, and d26-37′, d30-33′, d33-30′, and d37-26′ for the parallel conformation. |
Σα1 | Sum of distances of N-H – O=C of residues 2–6, 3–7, and 4–8. |
Σα2 | Sum of distances of N-H – O=C of residues 10–14, 11–15, 12–16, and 13–17. |
Σ8-14-33 | Sum of distances of centers of mass of side chains of residues Leu8, Leu14, and Leu33. |