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Table 2 Sensitivity of the most stable salt bridges in the NIP7-ABY, the NIP7-FUR models to increase in temperatures and pressures

From: Molecular dynamics simulations of the Nip7 proteins from the marine deep- and shallow-water Pyrococcus species

Salt bridge Marker Function NIP7-ABY NIP7-FUR
    S T F (T) S p F (P) S T F (T) S p F (P)
10-4 All α1-α1 0.94 2.74 1.04 0.83 0.99 1 1.01 1
75-37 All β6-β4 1.06 0.52 1.11 0.91 0.99 1.89 1.00 0.36
37-10 All β4-α1 1.04 0.16 1.14 0.99 1.18 2.87 0.88 4.68
148-109 All RNA binding - RNA binding 0.95 0.40 1.09 0.45 u u u u
33-4 All β3-β1 0.92 0.59 0.94 0.69 0.98 0.10 1.00 0.20
20-17 All α1-α1 0.92 2.65 1.02 0.13 0.89 2.96 0.98 0.36
16-12 P.a.&P.f. α1-α1 1.14 3.77 0.91 1.68 1.08 1.60 0.89 2.76
147-113 P.a.&P.f. RNA binding - RNA binding; α6 0.98 0.02 0.72 3.18 u u u u
33-2 2p38&P.a. β3 - N-terminal 0.98 0.01 0.99 2.07 - - - -
131-116 All C-terminal - β9 1.93 12.23 0.94 0.49 0.98 0.72 0.99 0.43
51-5 P.a.&P.f. α2-β1 1.25 1.50 1.03 0.03 0.88 1.11 1.18 0.74
76-70 P.a.&P.f. β6 - N-terminal 1.20 6.59 0.84 3.42 0.83 8.19 0.95 1.98
147-146 P.a. RNA binding - C-terminal 1.84 4.12 0.95 0.12 - - - -
48-45 P.a.&P.f. α2-α2 1.06 0.14 0.92 1.42 0.99 0.00 0.88 1.29
88-23 P.a. β7-β2 1.26 5.91 0.87 1.72 - - - -
151-109 All RNA binding; β12 - RNA binding 0.93 0.09 0.75 1.49 0.86 2.74 0.92 0.42
119-117 P.a. β9-β9 0.98 0.04 1.26 2.31 - - - -
48-44 2p38&P.a. α2-α2 0.99 0.00 0.98 0.01 - - - -
146-112 All C-terminal - α5 u u u u 1.01 0.00 1.11 0.50
76-17 P.a.&P.f. β6-α1 u u u u 0.83 1.07 0.95 0.56
  1. Columns: residue pairs forming salt bridges; occurrence of a salt bridge in the different structures (ALL, the NIP7-ABY, the NIP7-FUR models, and the crystal 2P38:A structure; ABY & FUR for only the NIP7-ABY, NIP7-FUR models and so on); the values of the indices of sensitivity for the NIP7-ABY; for the NIP7-FUR models; the F-value for a concrete parameter. Values expressing significant changes, maintenance of a salt bridge when pressure or temperature changes are in bold. Unstable salt bridges (occurrence less than 20%) are marked with the symbol u.