3MYR
crystal structure of [nife] hydrogenase from allochromatium vinosum in its ni-a state
Total interactions analyzed 28
Total true interactions 17
Strongest Interaction Chains G-H
Int. Res. 330
Norm. En. per Res. -4.5225
Hub Node A(5)
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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 -250.7411 -20.6315 -1170.23 -1441.6026 331 47 19 45118 12 93 87
A-C -29.7838 7.9591 -174.885 -196.7097 81 10 3 6791 4 28 33
A-D -20.5488 -21.5232 -193.829 -235.901 83 6 8 8000 3 27 24
A-G -39.9684 27.8678 -164.391 -176.4916 103 11 0 6678 0 21 30
A-H 0.0 0.0 -8.983 -8.983 18 0 0 560 0 4 2
B-C -20.5903 -9.801 -175.352 -205.7433 83 2 8 7499 2 27 24
B-D -33.9209 0.961 -150.58 -183.5399 60 6 3 5468 4 14 8
B-E 0.0 -0.9692 -0.1984 -1.1676 5 0 0 52 0 4 5
B-G 0.0 0.0 -8.7828 -8.7828 15 0 0 443 0 4 3
C-D -244.1755 -10.1225 -1173.16 -1427.458 333 44 17 45081 10 98 85
C-H 0.0 0.0 -0.0247 -0.0247 2 0 0 16 0 4 1
E-F -270.7281 -55.0094 -1162.36 -1488.0975 336 48 20 44881 10 95 87
E-G -33.8442 9.4696 -172.283 -196.6576 80 9 3 6687 3 28 33
E-H -14.4573 -10.3473 -176.953 -201.7576 84 3 8 7537 2 27 24
F-G -19.6884 -14.3337 -183.942 -217.9641 83 5 8 7887 3 27 24
F-H -31.7397 1.0021 -154.732 -185.4696 58 3 4 5546 4 12 8
G-H -246.1468 -66.2273 -1180.04 -1492.4141 330 46 19 44975 11 95 85