Table 1.
Rotamer distribution of helical histidines, with and without bound hemes.
| Heme ligand His | All helical His | Lovell et al.a | |||||||
|---|---|---|---|---|---|---|---|---|---|
| rotamer | # (%) | χ1 (S.D.) | χ2 (S.D.) | rotamer | # (%) | χ1 (S.D.) | χ2 (S.D.) | rotamer | # (%) |
| m80 | 12 (20%) | -79 (6) | 80 (14) | m98 | 869 (13%) | -73 (11) | 98 (26) | m80 | 17 (14%) |
| m166 | 16 (27%) | -73 (7) | 166 (18) | m172 | 591 (9%) | -69 (7) | 172 (14) | m170 | 11 (9%) |
| t73 | 24 (41%) | -175 (13) | 73 (15) | t73 | 1859 (28%) | 179 (10) | 73 (17) | t60 | 30 (24%) |
| t-86 | 7 (12%) | -164 (9) | -86 (11) | t-94 | 1114 (17%) | -179 (10) | -94 (19) | t-80 | 21 (17%) |
| t-177 | 364 (6%) | -170 (9) | -177 (20) | t-160 | 6 (5%) | ||||
| m-64 | 1554 (24%) | -71 (10) | -64 (29) | m-70 | 32 (26%) | ||||
a
Rotamer names obtained by Lovell are derived using all types of secondary structure, however the number and percent displayed are exclusively derived from helices.