3K3A
crystal structure of b/perth neuraminidase d197e mutant in complex with oseltamivir
Total interactions analyzed 120
Total true interactions 32
Strongest Interaction Chains K-L
Int. Res. 176
Norm. En. per Res. -3.8718
Hub Node A(4)
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 -97.0691 -33.1221 -531.082 -661.2732 176 24 17 20634 4 45 45
A-C 0.0 11.3994 -0.6811 10.7183 14 0 0 75 0 2 1
A-D -112.4135 -35.5165 -520.796 -668.726 175 30 17 20430 5 44 44
A-L 0.0 0.0 -0.0416 -0.0416 3 0 0 13 0 2 2
B-C -104.0802 -37.1433 -517.898 -659.1216 177 25 16 20462 5 46 44
B-D 0.0 11.0281 -0.6047 10.4234 12 0 0 66 0 2 1
B-E 0.0 -2.4657 -48.2771 -50.7428 50 4 0 2605 1 16 18
B-F -6.6727 0.0 -3.9478 -10.6205 32 2 0 645 0 5 2
C-D -86.3279 -34.7484 -534.99 -656.0663 176 31 16 20704 5 44 46
C-F 0.0 0.0 -10.7161 -10.7161 27 0 0 689 0 3 2
C-M 0.0 0.0 -1.5062 -1.5062 5 0 0 116 0 3 1
D-I 0.0 0.0 -0.0455 -0.0455 3 0 0 15 0 2 1
D-L -27.6498 -11.0441 -59.5257 -98.2196 77 38 0 4590 0 31 47
E-F -94.3299 -33.4302 -525.241 -653.0011 175 32 17 20413 4 44 46
E-G 0.0 11.9185 -0.7128 11.2056 15 0 0 78 0 2 1
E-H -118.4803 -37.55 -508.521 -664.5512 175 24 16 20253 4 43 46
F-G -85.7567 -37.0918 -509.189 -632.0375 176 27 16 20289 5 44 46
F-H 0.0 11.2701 -0.6123 10.6577 12 0 0 66 0 2 1
F-N 0.0 -6.6254 -35.2648 -41.8902 78 6 0 2786 3 49 37
G-H -105.8218 -32.4856 -520.252 -658.5594 176 24 16 20389 4 44 45
I-J -92.6911 -36.8883 -537.243 -666.8224 179 32 16 20838 4 46 46
I-K 0.0 11.6329 -0.6698 10.9631 13 0 0 67 0 2 1
I-L -123.3132 -37.4763 -518.797 -679.5865 176 23 16 20277 4 44 44
J-K -93.07 -37.4741 -514.969 -645.5131 174 24 16 20238 4 43 45
J-L 0.0 11.0975 -0.5649 10.5326 13 0 0 63 0 2 1
K-L -102.2689 -36.4672 -542.693 -681.4291 176 29 17 20847 4 45 45
M-N -99.6266 -31.888 -510.276 -641.7907 175 22 14 20193 4 43 44
M-O 0.0 11.7121 -0.6278 11.0843 14 0 0 71 0 2 1
M-P -103.4026 -36.8833 -521.913 -662.1988 177 26 17 20348 5 44 47
N-O -106.3069 -37.0481 -517.531 -660.886 177 21 16 20440 5 44 47
N-P 0.0 11.5348 -0.7099 10.825 13 0 0 76 0 2 1
O-P -84.9569 -31.8379 -510.87 -627.6648 175 21 14 20185 4 43 44