Table 1.
Simulation results
| Protein | N |
Nres
|
Best result rmsdmin, Å (family no.)
|
|||
|---|---|---|---|---|---|---|
| Total | Helices | Low 20 | Low 60 | All | ||
| 1cktA | 3 | 61 | 47 | 3.6 (9) | ||
| 1dv5 | 3 | 75 | 34 | 2.2 (1) | ||
| 1fex | 3 | 50 | 31 | 3.4 (6) | ||
| 1g2h | 3 | 36 | 28 | 3.4 (20) | ||
| 1gab | 3 | 42 | 35 | 2.9 (6) | ||
| 1hdp | 3 | 44 | 33 | 3.7 (11) | ||
| 1i6z | 3 | 114 | 102 | 2.5 (1) | ||
| 1kdxA | 3 | 66 | 50 | 2.6 (1) | ||
| 1lbu* | 3 | 60 | 32 | 3.9 (6) | ||
| 1lea | 3 | 48 | 39 | 3.1 (7) | ||
| 1lre | 3 | 66 | 55 | 3.4 (10) | ||
| 2occH | 3 | 53 | 42 | 4.0 (15) | 3.0 (21) | |
| 1a04 | 4 | 56 | 45 | 4.9 (19) | 4.7 (31) | |
| 1a6s | 4 | 85 | 46 | 4.4 (1) | ||
| 1bw6 | 4 | 43 | 29 | 4.1 (17) | 3.6 (25) | 2.7 (93) |
| 1c5a | 4 | 61 | 46 | 4.6 (7) | 4.4 (23) | |
| 1eij | 4 | 59 | 41 | 4.8 (5) | 4.6 (21) | 3.7 (159) |
| 1ffh* | 4 | 83 | 63 | 3.7 (11) | 3.7 (11) | 3.0 (75) |
| 1hdj | 4 | 61 | 40 | 5.2 (16) | 3.9 (22) | |
| 1unkA | 4 | 67 | 48 | 4.7 (18) | 3.7 (28) | 3.2 (146) |
| 2abd | 4 | 79 | 49 | 6.9 (16) | 4.1 (28) | |
| 1aisB* | 5 | 88 | 67 | 6.7 (4) | ||
| 1b0nA* | 5 | 60 | 42 | 5.4 (3) | ||
| 1b0x | 5 | 62 | 43 | 4.0 (7) | 3.3 (29) | |
| 1beg | 5 | 91 | 55 | 6.2 (11) | 6.2 (11) | 5.5 (83) |
| 1bmtA* | 5 | 79 | 61 | 6.6 (2) | 6.6 (2) | 3.7 (65) |
| 1ctj | 5 | 82 | 46 | 8.3 (20) | 7.4 (35) | 5.4 (230) |
| 1f1f | 5 | 85 | 48 | 5.9 (8) | ||
| 1f68 | 5 | 100 | 66 | 8.8 (13) | 8.2 (37) | 6.2 (93) |
| 1lpe | 5 | 138 | 117 | 3.4 (6) | ||
| 1nfo | 5 | 136 | 110 | 3.0 (9) | ||
| 1nkl | 5 | 70 | 54 | 5.2 (14) | 4.0 (25) | |
| 1qc7A | 5 | 74 | 58 | 8.1 (14) | 6.6 (34) | 5.5 (145) |
| 2ezyA | 5 | 83 | 54 | 6.7 (17) | 6.0 (46) | 5.4 (129) |
| 1bxm | 6 | 92 | 50 | 7.0 (4) | 7.0 (4) | 6.4 (229) |
| 1fio | 6 | 188 | 162 | 10.3 (12) | 6.1 (25) | |
| 1ngr | 6 | 71 | 49 | 7.3 (18) | 5.4 (59) | |
| 1rzl | 6 | 71 | 49 | 7.1 (7) | 5.7 (32) | 4.8 (123) |
| 1a0b | 7 | 109 | 87 | 11.1 (4) | 8.4 (24) | 8.0 (140) |
| 1dlw | 7 | 112 | 72 | 6.1 (1) | ||
| 1emy | 7 | 145 | 107 | 11.4 (9) | 8.4 (57) | 8.1 (281) |
| 1ezt | 8 | 125 | 89 | 12.6 (13) | 11.2 (59) | 11.0 (175) |
Protein name (PDB ID), followed by the number of helices, the total number of residues (excluding the non-helical residues at the N and C termini), and the number of residues only in helices. The last three columns show the best results obtained for the 20 and 60 lowest-energy, and all families, respectively. The rmsd value is measured on Cα atoms of helices from the native, followed by the corresponding family number (in parentheses). The empty fields indicate that the value to the left is not improved by including more families.
*
The following are fragment proteins: 1lbu: 1lbu1–83; 1ffh: 1ffh2–88; 1aisB: 1aisB1108–1205; 1b0nA: 1b0nA1–68; 1bmtA: 1bmtA651–740.