Table I.
Percentage of peptides in each sequence that are in monomer, non-fibrillar β-sheet, disordered aggregates and fibril conformations at the end of low, intermediate, and high reduced temperature simulations at 10mM concentration.
| Sequence | T* | % of monomers |
% of non-fibril β-sheets |
% of amorphous aggregates |
% of fibrils |
Structure |
|---|---|---|---|---|---|---|
| STVIIE | 0.13 | 0.0(0.0) | 8.5(8.4) | 1.0(0.8) | 90.5(7.8) | Ordered |
| SNQNNF | 0.13 | 0.0(0.0) | 10.2(16.9) | 0.1(0.1) | 89.8(16.8) | Ordered |
| SSTSAA | 0.13 | 0.0(0.0) | 52.1(36.2) | 2.3(0.6) | 47.6(36.1) | Ordered |
| MVGGVV | 0.13 | 0.0(0.0) | 25.0(5.7) | 4.8(2.7) | 70.2(6.8) | Ordered |
| MVGGVVIA | 0.13 | 0.0(0.0) | 51.9(14.0) | 7.8(2.7) | 40.3(14.1) | Ordered |
| GGVVIA | 0.10 | 1.1(0.9) | 94.9(3.6) | 1.1(0.6) | 2.9(3.3) | Slightly Ordered |
| STVIIE | 0.15 | 0.0(0.0) | 24.8(14.0) | 0.0(0.0) | 75.2(14.0) | Ordered |
| SNQNNF | 0.15 | 0.6(0.8) | 1.4(2.4) | 0.1(0.1) | 97.9(3.0) | Ordered |
| SSTSAA | 0.15 | 0.4(0.4) | 10.5(7.2) | 0.2(0.2) | 88.9(7.2) | Ordered |
| MVGGVV | 0.15 | 0.1(0.1) | 36.1(13.5) | 4.1(2.0) | 59.7(14.4) | Ordered |
| MVGGVVIA | 0.15 | 0.0(0.0) | 57.2(11.4) | 8.7(2.9) | 34.1(12.7) | Slightly Ordered |
| GGVVIA | 0.12 | 5.2(1.4) | 93.9(1.8) | 0.7(0.3) | 0.2(0.2) | Slightly Ordered |
| STVIIE | 0.16 | 0.2(0.3) | 24.4(14.3) | 0.1(0.1) | 75.3(14.0) | Ordered |
| SNQNNF | 0.16 | 4.6(2.1) | 3.6(3.3) | 0.4(0.2) | 91.4(4.3) | Ordered |
| SSTSAA | 0.16 | 5.4(1.3) | 11.2(5.9) | 1.3(0.3) | 82.1(6.4) | Ordered |
| MVGGVV | 0.16 | 0.2(0.2) | 40.9(21.1) | 9.0(5.8) | 49.9(26.5) | Ordered |
| MVGGVVIA | 0.16 | 0.0(0.0) | 66.1(7.7) | 8.4(3.2) | 25.5(8.4) | Slightly Ordered |
| GGVVIA | 0.13 | 15.6(2.4) | 80.2(3.0) | 3.9(0.7) | 0.3(0.1) | Slightly Ordered |
| STVIIE | 0.17 | 2.2(1.4) | 11.3(0.6) | 0.5(0.3) | 86.0(7.4) | Ordered |
| SNQNNF | 0.17 | 33.2(4.0) | 50.8(11.6) | 9.3(2.5) | 6.8(14.7) | Slightly Ordered |
| SSTSAA | 0.17 | 33.1(1.1) | 47.8(1.8) | 18.0(0.8) | 1.2(0.5) | Slightly Ordered |
| MVGGVV | 0.17 | 2.2(0.6) | 52.6(15.3) | 30.1(8.2) | 15.4(23.3) | Slightly Disordered |
| MVGGVVIA | 0.17 | 0.1(0.1) | 68.1(5.2) | 13.7(3.4) | 18.1(7.2) | Slightly Ordered |
| GGVVIA | 0.15 | 55.7(0.5) | 21.0(0.5) | 23.2(0.2) | 0.1(0.0) | Disordered |
Values in parenthesis indicate error bars.