3A2X
peroxiredoxin (c50s) from aeropyrum pernix k1 (acetate-bound form)
Total interactions analyzed 45
Total true interactions 20
Strongest Interaction Chains E-F
Int. Res. 273
Norm. En. per Res. -6.3563
Hub Node A(4)
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Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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Chains Hydro. Bond Ener. (kJ/mol) Elec. Ener. (kJ/mol) VDW. Ener. (kJ/mol) Tot. Stab. Ener. (kJ/mol) #int. res. # Short cont. #Hydr. int. #VDW pairs #salt bridges #Pot. fav. elec. int #Pot. unfav. elec. int int. res.
A-B -258.1856 -203.7013 -1187.86 -1649.7469 270 54 49 45464 11 120 94
A-C -25.9422 -32.6148 -96.9651 -155.522 39 7 1 4003 4 19 18
A-I -24.2172 0.8939 -98.5491 -121.8724 39 3 1 3772 3 19 17
A-J -19.3288 25.6334 -194.351 -188.0464 78 12 4 8427 0 23 29
B-C 0.0 12.9195 -163.606 -150.6865 75 9 4 7797 0 20 29
B-D -26.0245 -4.1116 -97.8319 -127.9679 38 2 1 3737 3 19 17
B-J -30.9543 -11.0761 -100.873 -142.9034 39 6 1 3795 4 19 18
C-D -286.5584 -158.5379 -1179.37 -1624.4663 280 58 53 45481 11 119 96
C-E -21.5426 -26.1708 -106.017 -153.7304 40 3 1 4003 3 19 18
D-E 0.0 12.6863 -179.977 -167.2907 75 9 4 7840 0 19 28
D-F -20.7075 -5.9627 -102.311 -128.9812 40 4 1 4033 4 19 18
E-F -335.8171 -214.8257 -1184.64 -1735.2828 273 70 50 45693 11 119 95
E-G -42.5353 -13.4914 -110.708 -166.7347 41 4 1 4102 6 19 17
F-G 0.0 13.6002 -176.76 -163.1598 76 7 4 7786 0 19 29
F-H -21.1021 -1.1299 -95.9418 -118.1738 39 4 1 3842 3 19 17
G-H -269.9023 -193.6562 -1195.58 -1659.1386 277 50 51 45394 11 119 94
G-I -22.5109 -16.3651 -102.585 -141.461 41 2 1 3958 2 19 18
H-I 0.0 13.4321 -177.455 -164.0229 77 11 4 8076 0 22 27
H-J -22.9999 -11.3948 -101.723 -136.1176 40 2 1 3897 2 19 18
I-J -277.6147 -196.8848 -1190.07 -1664.5695 273 51 50 45467 12 119 96