1MG3
mutation of alpha phe55 of methylamine dehydrogenase alters the reorganization energy and electronic coupling for its electron transfer reaction with amicyanin
Total interactions analyzed 120
Total true interactions 32
Strongest Interaction Chains I-J
Int. Res. 145
Norm. En. per Res. -4.8189
Hub Node A(6)
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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 -121.8019 -85.1709 -480.358 -687.3307 145 38 11 18408 13 57 47
A-C -8.3701 -33.2118 -56.1592 -97.7411 30 4 0 2340 3 10 7
A-D 0.0 0.0 -0.0422 -0.0422 3 0 0 14 0 1 4
A-E -24.2081 -82.0189 -142.236 -248.463 80 2 7 6111 9 26 23
A-F -77.4571 -22.878 -372.468 -472.8031 140 31 6 16028 5 30 24
A-G 0.0 -14.2505 -4.6705 -18.921 7 0 0 303 0 6 3
B-C 0.0 -7.4064 -111.804 -119.2104 59 2 3 5294 0 15 13
B-D 0.0 0.0 -0.0036 -0.0036 2 0 0 4 0 0 0
B-E -114.718 -26.4639 -397.419 -538.601 140 39 6 16270 5 30 25
C-D -5.5554 12.8236 -122.846 -115.5778 54 6 1 4668 1 20 15
C-E -4.8385 -15.1449 -6.7184 -26.7018 9 0 0 350 0 7 5
E-F -119.4604 -92.1734 -474.082 -685.7158 145 33 11 18501 14 58 47
E-G -12.5384 -48.5949 -68.1572 -129.2905 35 4 0 2645 3 11 8
E-H 0.0 0.0 -0.0922 -0.0922 3 0 0 17 0 1 3
F-G -2.8019 -20.1495 -114.132 -137.0835 62 6 3 5351 1 15 13
F-H 0.0 0.0 -0.0008 -0.0008 2 0 0 2 0 0 0
G-H -16.0446 18.4204 -114.711 -112.3353 58 4 1 4680 1 20 17
I-J -126.7167 -89.1962 -482.829 -698.7418 145 33 11 18390 13 57 48
I-K -12.5427 -44.7492 -68.1438 -125.4357 34 5 0 2654 3 11 8
I-L 0.0 0.0 -0.1689 -0.1689 2 0 0 39 0 2 6
I-M -18.6276 -79.7089 -133.989 -232.3255 81 0 6 5927 8 26 22
I-N -100.192 -25.834 -380.731 -506.7571 137 32 6 16263 6 31 25
I-O 0.0 -10.2366 -2.8513 -13.0879 6 0 0 246 0 7 3
J-K 0.0 -10.1562 -107.155 -117.3112 58 3 3 5123 1 15 13
J-M -108.4459 -19.2145 -372.727 -500.3874 140 36 6 16159 4 32 25
K-L -19.129 14.237 -118.826 -123.718 58 3 1 4585 3 20 16
K-M 0.0 -5.7875 -2.465 -8.2526 6 0 0 214 0 6 2
M-N -116.1492 -86.283 -470.243 -672.6751 145 40 11 18304 13 58 47
M-O -7.0149 -45.2078 -67.9034 -120.126 33 3 0 2585 3 10 8
M-P 0.0 0.0 -0.4471 -0.4471 9 0 0 104 0 3 6
N-O 0.0 -17.0354 -113.219 -130.2544 59 4 3 5276 1 15 13
O-P -27.2258 18.7309 -126.74 -135.2348 52 9 1 4735 1 20 18