TABLE 1.
Probability of H-bond formation in TSE at T* = 3.60 (near transition temperature)
Serial* | Donor† | Acceptor† | Probability | Location |
---|---|---|---|---|
H1 | Glu12 | Phe25 | 0.69 | β1-β2 |
H2 | Phe25 | Glu12 | 0.51 | |
H3 | Arg14 | Tyr23 | 0.37 | |
H4 | Tyr23 | Arg14 | 0.46 | |
H5 | Ser16 | Arg21 | 0.27 | Loop 1 |
H6 | Ser19 | Ser16 | 0.25 | |
H7 | Ser19 (O-H) | Arg21 (N-H)‡ | 0.06 | |
H8 | Ile28 | Asn26 (O=CNH2) | 0.41 | Loop 2 |
H9 | Thr29 | Asn26 (O=CNH2) | 0.25 | |
H10 | Asn30 | Asn26 | 0.02 | |
H11 | Ala31 | Thr29 (O-H) | 0.05 | |
H12 | Asn26 | Asn31 | 0.05 | |
H13 | Tyr24 | Gln33 | 0.00 | β2-β3 |
H14 | Gln33 | Tyr24 | 0.00 |