Table 2. Calculated D0 Values in 10–5 cm2 s–1 and α Finite-Size Correction Parameters for the Acetyl and N-Methyl Capped Mono- and Decapeptides at Infinite Dilution in TIP3P Water at 310.15 K, with Error in the Last Digit in Parentheses.
| monopeptide |
decapeptide |
|||
|---|---|---|---|---|
| D0 | α | D0 | α | |
| GLY | 2. 68(8) | 1.07(2) | 1. 40(4) | 0.874(9) |
| ALA | 2. 44(6) | 1.01(2) | 1. 27(5) | 0.91(1) |
| SER | 2. 23(7) | 0.81(2) | 1. 28(4) | 0.96(1) |
| PRO | 2. 39(2) | 1.009(4) | 1. 16(6) | 0.84(2) |
| VAL | 2. 19(3) | 0.891(8) | 1. 15(1) | 0.843(3) |
| THR | 2. 25(3) | 0.999(8) | 1. 18(5) | 0.86(2) |
| CYS | 2. 28(6) | 0.85(1) | 1. 24(5) | 0.82(1) |
| ILE | 2. 15(2) | 0.954(5) | 1. 09(3) | 0.73(3) |
| LEU | 2. 07(5) | 0.87(1) | 1. 11(4) | 0.81(1) |
| ASP | 2. 01(7) | 0.91(2) | 1. 03(3) | 0.881(8) |
| ASN | 2. 10(3) | 0.848(9) | 1. 12(1) | 0.821(3) |
| GLU | 1. 93(5) | 0.95(2) | 1. 00(5) | 0.95(1) |
| GLN | 2. 08(3) | 1.00(1) | 1. 06(3) | 0.826(8) |
| LYS | 1. 93(5) | 0.91(2) | 0. 93(1) | 0.811(4) |
| MET | 2. 07(3) | 0.85(1) | 1. 14(1) | 0.872(3) |
| HIS | 1. 99(2) | 0.909(6) | 1. 09(3) | 0.960(7) |
| PHE | 2. 03(4) | 0.892(5) | 1. 08(7) | 0.824(8) |
| ARG | 1. 87(2) | 0.92(1) | 0. 88(2) | 0.89(2) |
| TYR | 1. 93(3) | 0.913(6) | 1. 03(2) | 0.707(6) |
| TRP | 1. 91(2) | 0.892(9) | 1. 07(3) | 0.915(5) |
| avg.a | 2.13(5) | 0.92(2) | 1.12(3) | 0.86(2) |
a
Std. error from column values in parentheses.