2IU7
site directed mutagenesis of key residues involved in the catalytic mechanism of cyanase
Total interactions analyzed 45
Total true interactions 40
Strongest Interaction Chains C-H
Int. Res. 196
Norm. En. per Res. -6.7893
Hub Node A(8)
Click on the Nodes or Edges in the network to see the details
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 -43.3911 -46.7971 -169.838 -260.0262 88 11 3 7721 3 27 15
A-C 0.0 0.0 -0.0103 -0.0103 2 0 0 13 0 0 0
A-D -284.6596 -50.8505 -967.444 -1302.954 196 52 44 39409 8 82 64
A-E 0.0 0.0 -0.0023 -0.0023 2 0 0 1 0 1 1
A-F -22.1784 11.7909 -73.612 -83.9995 26 0 1 2527 8 6 7
A-H 0.0 0.0 -0.0025 -0.0025 2 0 0 1 0 1 1
A-I -31.6215 -47.9945 -175.334 -254.9501 89 8 4 7673 4 26 15
A-J -59.3058 5.5734 -372.097 -425.8294 132 15 11 14770 8 10 19
B-D -57.3266 0.0 -350.008 -407.3346 131 15 9 14601 8 10 18
B-E -34.0972 -39.8643 -175.272 -249.2335 88 5 3 7789 3 27 14
B-F -273.2726 -64.7179 -975.878 -1313.8684 196 49 43 39542 8 79 64
B-G -22.0501 -34.4727 -73.5138 -130.0367 26 0 1 2515 8 6 7
B-H 0.0 0.0 -0.0028 -0.0028 2 0 0 1 0 1 1
B-I 0.0 0.0 -0.0034 -0.0034 2 0 0 2 0 1 1
B-J 0.0 0.0 -0.0109 -0.0109 2 0 0 14 0 0 0
C-D 0.0 0.0 -0.0029 -0.0029 2 0 0 1 0 1 1
C-E -22.3685 -33.099 -72.4678 -127.9353 26 1 1 2511 8 6 7
C-F 0.0 0.0 -0.0024 -0.0024 2 0 0 1 0 1 1
C-G -24.756 -46.704 -178.95 -250.41 88 3 4 7688 4 27 15
C-H -292.0955 -67.4137 -971.192 -1330.7012 196 52 43 39489 9 78 64
C-I -53.3035 0.0 -345.804 -399.1075 130 11 9 14296 8 10 18
C-J -22.1652 -38.4243 -176.671 -237.2605 88 6 4 7643 4 27 15
D-E 0.0 0.0 -0.006 -0.006 2 0 0 10 0 0 0
D-F -22.4344 -45.9256 -174.988 -243.3479 89 2 3 7568 3 26 14
D-G 0.0 0.0 -0.0026 -0.0026 2 0 0 1 0 1 1
D-I -21.8801 11.8257 -73.9927 -84.0472 26 1 1 2510 8 6 6
D-J -23.2806 -44.5492 -173.305 -241.1348 90 2 4 7538 4 27 14
E-F -59.7647 5.7268 -379.755 -433.7929 133 11 10 15136 8 10 18
E-G -290.4232 -64.4057 -973.427 -1328.2559 196 55 43 39791 8 79 63
E-H -34.2156 -43.8759 -168.22 -246.3115 87 5 3 7443 3 27 14
E-I 0.0 0.0 -0.0021 -0.0021 2 0 0 1 0 1 1
F-G -19.4147 -37.7347 -174.918 -232.0675 88 3 3 7732 4 27 15
F-H 0.0 0.0 -0.0108 -0.0108 2 0 0 13 0 0 0
F-J 0.0 0.0 -0.0025 -0.0025 2 0 0 1 0 1 1
G-H -54.9792 11.2413 -351.285 -395.0229 132 16 11 14628 8 11 19
G-I 0.0 0.0 -0.004 -0.004 2 0 0 8 0 0 0
G-J 0.0 0.0 -0.0026 -0.0026 2 0 0 1 0 1 1
H-I -38.0523 -47.2873 -175.943 -261.2826 88 5 3 7662 4 26 15
H-J -21.8291 11.8062 -73.159 -83.1819 26 0 1 2499 8 6 6
I-J -286.0184 -53.8149 -979.65 -1319.4834 196 49 42 39591 8 77 63