Table 2. Comparison of HDX Data and Homology Models.
HDX agreement
on the modelsd |
|||||||||
---|---|---|---|---|---|---|---|---|---|
regiona | categoryb | model Ac | model B | model C | model D | A | B | C | D |
1–29 | III | h/l | h/l | h/l | h/l | ** | ** | ** | ** |
33–37 | III | h/l | l | l | l | ** | * | ||
38–44 | IV | h bundle | h/l | h/l | h/l | * | |||
45–49 | I | h | h bundle | h/l | h bundle | ** | ** | ||
50–57 | IV | l | l | h bundle | h/l | * | |||
58–65 | II | l | l | l | l | ** | ** | ** | ** |
78–91 | III | h/l | h/l | h/l | h/l | ** | ** | ** | ** |
92–108 | III | h/l | h/l | h/l | h/l | ** | ** | ** | ** |
109–127 | III | l | l | h/l | h/l | ** | ** | ||
128–142 | IV | h/l | l | l | l | * | * | ||
143–149 | I | h bundle | h bundle | h | h bundle | ** | ** | * | ** |
150–168 | III | h/l | h/l | h/l | h/l | ** | ** | ** | ** |
169–172 | I | h | h bundle | h bundle | h bundle | ** | ** | ** | |
173–208 | II | h/l | l | h/l | h/l | ** | ** | ** | ** |
Regions determined by HDX. Most of the regions are covered by multiple peptides, and they give similar results.
Different regions are assigned to four categories on the basis of their HDX behavior.
Secondary and tertiary structure elements in each model. h stands for helix, l for loop, h/l for a mixture of helix and loop, and h bundle for a helix bundle.
Measures of degrees of agreement between HDX and modeling results. Two asterisks denote agreement. One asterisk denotes agreement with restrictions (information from order prediction by Phyre2). Blank cells denote a lack of agreement.