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. Author manuscript; available in PMC: 2017 Dec 1.
Published in final edited form as: Proteins. 2016 Oct 24;84(12):1938–1949. doi: 10.1002/prot.25177

Table 1.

HB-forming residue pairs and occupancy in the C state, the heated C state, and the O state

HB-forming residue pair and occupancy
C state at 30°C heated C state at 60°C O state at 60°C

GLU327 LYS392 0.42 LYS318 GLU359 0.33 LYS318 GLU359 0.36
ARG355 ARG367 0.91 GLU326 ARG367 0.43 GLU326 ARG367 1.46
ARG355 LYS368 0.37 ILE352 ARG367 0.33 GLU327 ARG367 0.95
GLU356 LYS368 0.75 ARG355 LEU365 0.87 ARG355 LEU365 0.99
GLU356 THR370 0.34 ARG355 ARG367 0.91 ARG355 ARG367 0.70
ILE357 SER366 0.78 ARG355 LYS368 0.41 ARG355 LYS368 0.44
GLU397 LYS710 0.64 GLU356 LYS368 0.72 GLU356 LYS368 0.62
ARG409 ASP509 1.10 GLU356 THR370 0.78 GLU356 THR370 0.32
GLN423 ARG701 0.56 ILE357 SER366 0.84 ILE357 SER366 0.55
LYS425 GLU709 1.01 GLU397 LYS710 0.55 GLU397 ARG499 0.45
ARG499 ASP707 0.58 ARG409 ASP509 0.78 GLU397 LYS710 0.86
SER510 GLU570 0.41 ARG409 GLU692 0.31 GLU405 ARG575 0.76
TYR511 GLU570 0.38 GLN423 ARG701 0.80 ARG409 GLU692 1.49
SER512 GLU570 0.55 LYS425 GLU709 0.58 GLN423 ARG701 0.59
PHE559 TRP697 0.41 ARG499 ASP707 0.92 LYS425 GLU709 0.55
ARG575 GLU692 1.63 SER510 GLU570 0.82 ARG499 ASP707 0.83
ASP576 THR685 0.38 TYR511 GLU570 0.51 ASP509 LYS571 0.64
TYR584 THR641 0.62 SER512 GLU570 1.14 ASP509 ARG575 0.62
TYR584 TYR666 0.40 PHE559 TRP697 0.46 SER510 GLU570 0.72
LEU637 TYR666 0.58 ARG575 GLU692 1.73 TYR511 GLU570 0.51
THR641 TYR666 0.49 ASP576 THR685 0.41 SER512 GLU570 0.73
TYR584 THR641 0.76 ARG575 GLU684 0.39
TYR584 TYR666 0.38 TYR584 THR641 0.75
LEU637 TYR666 0.66 TYR584 TYR666 0.31
THR641 TYR666 0.46 LEU637 TYR666 0.34
THR641 THR670 0.30 THR641 THR670 0.56

The C-state and O-state specific HB-forming residue pairs are in italic and bold font, respectively.