2IVQ
site directed mutagenesis of key residues involved in the catalytic mechanism of cyanase
Total interactions analyzed 45
Total true interactions 40
Strongest Interaction Chains B-F
Int. Res. 199
Norm. En. per Res. -6.6658
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 -39.3766 -48.2283 -167.169 -254.7739 88 7 3 7252 4 26 14
A-C 0.0 0.0 -0.0124 -0.0124 2 0 0 15 0 0 0
A-D -253.0919 -72.7869 -971.423 -1297.3018 198 53 43 39257 8 79 62
A-E 0.0 0.0 -0.0027 -0.0027 2 0 0 1 0 1 1
A-F 0.0 10.5124 -65.2863 -54.7739 27 1 1 2694 0 6 7
A-H 0.0 0.0 -0.0025 -0.0025 2 0 0 1 0 1 1
A-I -23.8573 -47.2912 -168.295 -239.4435 88 7 4 7507 4 25 16
A-J -58.477 11.1375 -374.085 -421.4245 128 13 9 14887 7 9 17
B-D -59.141 10.686 -376.586 -425.0411 129 12 9 14918 6 9 17
B-E -27.5011 -40.2863 -166.814 -234.6013 90 10 3 7593 3 26 15
B-F -294.9457 -62.6692 -968.88 -1326.4949 199 55 42 39392 8 77 62
B-G 0.0 10.1823 -65.5304 -55.3481 27 2 1 2693 0 6 8
B-H 0.0 0.0 -0.0021 -0.0021 2 0 0 1 0 1 1
B-I 0.0 0.0 -0.0028 -0.0028 2 0 0 1 0 1 1
B-J 0.0 0.0 -0.0152 -0.0152 2 0 0 15 0 0 0
C-D 0.0 0.0 -0.0026 -0.0026 2 0 0 1 0 1 1
C-E 0.0 10.9506 -61.5209 -50.5703 26 0 1 2569 0 6 8
C-F 0.0 0.0 -0.0027 -0.0027 2 0 0 1 0 1 1
C-G -27.2523 -46.4179 -169.259 -242.9292 88 9 3 7435 2 27 15
C-H -238.3768 -71.5698 -963.343 -1273.2896 199 55 40 39396 9 79 62
C-I -50.8616 5.5905 -378.995 -424.2661 127 24 10 14844 7 10 18
C-J -31.7307 -48.8782 -162.909 -243.5179 90 2 3 7256 4 27 14
D-E 0.0 0.0 -0.013 -0.013 2 0 0 14 0 0 0
D-F -45.7322 -45.469 -167.55 -258.7513 90 13 4 7413 3 27 13
D-G 0.0 0.0 -0.002 -0.002 2 0 0 1 0 1 1
D-I 0.0 10.9357 -66.6534 -55.7177 26 0 1 2715 0 6 6
D-J -39.8529 -46.9998 -164.88 -251.7327 90 8 3 7310 4 26 13
E-F -50.2954 0.0 -375.033 -425.3284 129 15 9 15157 6 9 17
E-G -253.3251 -68.2756 -971.741 -1293.3416 197 54 42 39544 9 78 61
E-H -44.9269 -48.7373 -157.041 -250.7052 87 5 3 7071 3 26 13
E-I 0.0 0.0 -0.0033 -0.0033 2 0 0 2 0 1 1
F-G -25.6741 -44.7561 -164.337 -234.7671 90 7 3 7342 3 26 13
F-H 0.0 0.0 -0.0104 -0.0104 2 0 0 13 0 0 0
F-J 0.0 0.0 -0.0019 -0.0019 2 0 0 1 0 1 1
G-H -51.571 5.6335 -356.737 -402.6746 128 20 11 15000 7 10 18
G-I 0.0 0.0 -0.0094 -0.0094 2 0 0 10 0 0 0
G-J 0.0 0.0 -0.0023 -0.0023 2 0 0 1 0 1 1
H-I -40.3913 -43.0249 -167.677 -251.0932 90 9 3 7494 5 26 15
H-J 0.0 11.4674 -63.6921 -52.2247 26 0 0 2680 0 6 6
I-J -220.9309 -58.1166 -952.807 -1231.8546 198 59 41 38957 8 79 60