Table A4.
Estimation of the secondary structure content from IR spectra, using a bandfitting procedure for HAL-1 and its analogs in aqueous solution (H2O and D2O), in the presence of SDS, TFE, and LUVs. The numbers in parentheses correspond to percentages of each fitted band in the amide I region.
| Solvent | Amide I (cm−1) | Second Derivative Decomposition of Amide I (cm−1) | ||||||
|---|---|---|---|---|---|---|---|---|
| aggregate | β-sheet | α-helix | 310-helix | coil | β-turn | β-sheet | ||
| HAL-1 | ||||||||
| H2O | 1646 | — | — | — | — | 1648 (88) | 1683 (12) | — |
| D2O | 1647 | — | — | — | — | 1642(69) | 1667 (31) | — |
| TFE | 1655 | — | 1633 (26) | 1656 (63) | — | — | 1680 (11) | — |
| SDS 8 mM/H2O | 1655 | 1621 (12) | 1635 (16) | 1656 (63) | — | — | 1682 (9) | — |
| SDS 8 mM/D2O | 1649 | — | — | 1649 (95) | — | — | 1676 (5) | — |
| PC | 1656 | 1619 (5) | — | 1656 (63) | — | — | 1688 (33) | — |
| PC/PG 1:1 | 1655 | — | 1634 (29) | 1656 (52) | — | — | 1680 (19) | — |
| PC/PG 1:4 | 1656 | — | 1633 (6) | 1655 (58) | — | — | 1678 (36) | — |
| HAL-1/2 | ||||||||
| H2O | 1649 | — | 1637 (29) | — | — | 1650 (56) | 1684 (14) | — |
| SDS 8 mM/H2O | 1655 | — | 1635(38) | 1657 (58) | — | — | 1685 (4) | — |
| PC | 1657 | — | 1642 (32) | 1657 (32) | — | — | 1680 (35) | — |
| PC/PG 1:1 | 1647 | 1628 (34) | 1642 (28) | 1658 (24) | — | — | 1676 (13) | — |
| PC/PG 1:4 | 1657 | — | 1632 (15) | 1656 (43) | — | — | 1680 (41) | — |
| HAL-1/6 | ||||||||
| H2O | 1646 | — | — | — | — | 1647 (92) | 1682 (8) | — |
| SDS 8 mM/H2O | 1654 | 1629 (29) | — | 1655 (69) | — | — | — | 1695 (2) |
| PC | 1654 | 1621 (7) | 1639 (29) | 1657 (59) | — | — | 1680 (5) | — |
| PC/PG 1:1 | 1656 | 1626 (9) | 1642 (18) | 1657 (62) | — | — | 1682 (11) | — |
| HAL-1/10 | ||||||||
| H2O | 1647 | — | — | — | — | 1647 (82) | 1681 (18) | — |
| PC/PG 1:1 | 1655 | 1625 (12) | 1640 (21) | 1657 (57) | — | — | 1681 (10) | — |
| PC/PG 1:4 | 1656 | — | — | 1656 (80) | — | — | 1688 (20) | — |
| HAL-1/20 | ||||||||
| H2O | 1644 | — | 1643 (93) | — | — | — | 1676 (7) | — |
| SDS 8 mM/H2O | 1650 | 1629 (9) | — | 1653 (83) | — | — | 1685 (9) | — |
| PC | 1649 | 1625 (36) | 1639 (13) | 1654 (28) | — | — | 1685 (22) | — |
| PC/PG 1:1 | 1650 | 1628 (29) | 1642 (16) | 1659 (49) | — | — | 1685 (6) | — |
| PC/PG 1:4 | 1654 | 1621 (19) | 1634 (14) | 1655 (43) | — | — | 1678 (24) | — |