2IV1
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. 197
Norm. En. per Res. -6.9535
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 -20.7478 -36.8644 -165.29 -222.9022 87 10 4 7530 4 26 15
A-C 0.0 0.0 -0.0177 -0.0177 2 0 0 17 0 0 0
A-D -309.0736 -55.9992 -976.716 -1341.7888 197 49 43 39232 8 76 52
A-E 0.0 0.0 -0.0025 -0.0025 2 0 0 1 0 1 1
A-F 0.0 11.8676 -58.1327 -46.2651 26 0 1 2311 0 2 7
A-H 0.0 0.0 -0.0025 -0.0025 2 0 0 1 0 1 1
A-I -25.7404 -48.8217 -169.387 -243.9491 86 8 4 7461 4 26 15
A-J -53.7211 5.6518 -362.8 -410.8693 130 9 11 14753 8 8 19
B-D -61.2179 5.6156 -364.451 -420.0532 132 10 12 14790 8 10 18
B-E -21.4901 -46.7473 -163.862 -232.0995 87 6 3 7365 4 27 14
B-F -314.5698 -74.6309 -967.909 -1357.1097 196 50 41 39012 8 73 52
B-G 0.0 11.9887 -59.1344 -47.1457 26 1 1 2319 0 2 7
B-H 0.0 0.0 -0.0028 -0.0028 2 0 0 1 0 1 1
B-I 0.0 0.0 -0.0029 -0.0029 2 0 0 1 0 1 1
B-J 0.0 0.0 -0.0168 -0.0168 2 0 0 16 0 0 0
C-D 0.0 0.0 -0.0038 -0.0038 2 0 0 2 0 1 1
C-E 0.0 11.9167 -57.7728 -45.8561 26 0 1 2298 0 2 5
C-F 0.0 0.0 -0.0028 -0.0028 2 0 0 1 0 1 1
C-G -25.557 -46.7386 -168.749 -241.0446 87 8 3 7390 4 26 15
C-H -326.3012 -67.0432 -976.496 -1369.8404 197 52 41 38868 8 75 51
C-I -58.0011 11.2128 -346.591 -393.3793 130 7 9 14443 8 10 18
C-J -38.8181 -48.7721 -171.439 -259.0292 86 7 3 7363 4 26 14
D-E 0.0 0.0 -0.0161 -0.0161 2 0 0 15 0 0 0
D-F -32.9767 -40.1081 -177.635 -250.7198 86 5 3 7546 4 28 16
D-G 0.0 0.0 -0.0028 -0.0028 2 0 0 1 0 1 1
D-I 0.0 11.9243 -57.4734 -45.5491 26 0 1 2290 0 2 5
D-J -37.7101 -48.7011 -159.479 -245.8903 86 5 4 7191 4 25 13
E-F -58.196 0.0 -366.385 -424.581 130 15 10 14973 8 10 19
E-G -322.0692 -60.0461 -977.585 -1359.7003 197 50 43 38893 8 75 52
E-H -29.8614 -48.2447 -163.337 -241.4431 88 6 3 7276 4 25 14
E-I 0.0 0.0 -0.0031 -0.0031 2 0 0 1 0 1 1
F-G -32.3843 -46.4813 -167.486 -246.3516 86 7 3 7316 3 27 15
F-H 0.0 0.0 -0.018 -0.018 2 0 0 17 0 0 0
F-J 0.0 0.0 -0.0044 -0.0044 2 0 0 2 0 1 1
G-H -56.1511 0.0 -357.924 -414.0751 129 11 11 14727 8 10 18
G-I 0.0 0.0 -0.0368 -0.0368 2 0 0 24 0 0 0
G-J 0.0 0.0 -0.0031 -0.0031 2 0 0 1 0 1 1
H-I -27.4394 -36.4978 -169.193 -233.1302 87 6 3 7397 4 27 14
H-J 0.0 11.9287 -58.8341 -46.9054 26 0 1 2316 0 2 6
I-J -309.2168 -57.5834 -987.993 -1354.7932 196 52 43 39152 8 75 52