1PRT
the crystal structure of pertussis toxin
Total interactions analyzed 66
Total true interactions 32
Strongest Interaction Chains B-D
Int. Res. 124
Norm. En. per Res. -4.1266
Hub Node B(6)
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 0.0 0.0 -49.5543 -49.5543 30 0 3 2224 0 1 0
A-C -8.2923 0.0 -72.7658 -81.0581 39 2 1 3602 0 2 1
A-D 0.0 0.0 -106.807 -106.807 54 4 1 4478 0 7 4
A-E -34.2748 11.0043 -139.408 -162.6785 80 8 3 5934 0 14 9
A-F -23.0867 -19.831 -130.936 -173.8537 61 6 7 5621 2 8 8
B-C 0.0 0.0 -1.4475 -1.4475 8 0 0 118 0 1 2
B-D -87.6073 -55.0395 -369.053 -511.6997 124 19 12 15456 6 20 24
B-E 0.0 0.0 -0.0043 -0.0043 4 0 0 9 0 0 1
B-F -69.4226 -41.1636 -247.945 -358.5312 95 20 8 10789 2 17 11
B-H 0.0 14.7626 -10.7021 4.0605 12 0 0 484 0 2 4
B-J 0.0 -9.3093 -69.1483 -78.4576 32 6 0 2854 1 5 6
C-D -22.5463 -46.1363 -176.196 -244.8786 83 6 5 8063 3 21 20
C-E -64.8944 -67.6299 -367.462 -499.9863 127 27 13 15758 8 22 26
C-F 0.0 0.0 -0.0109 -0.0109 3 0 0 9 0 1 1
D-E 0.0 0.0 -3.0566 -3.0566 6 0 0 177 0 0 2
D-H 0.0 -8.536 -60.2164 -68.7524 32 1 0 2568 1 5 6
D-J 0.0 0.0 -0.0005 -0.0005 2 0 0 1 0 0 0
E-F -32.168 -6.8074 -188.609 -227.5844 81 15 2 8183 2 23 14
G-H 0.0 0.0 -45.7148 -45.7148 29 1 3 2186 0 1 0
G-I 0.0 0.0 -74.1541 -74.1541 38 4 1 3626 0 2 1
G-J -3.0142 0.0 -108.315 -111.3292 54 9 1 4548 0 8 4
G-K -30.6818 11.492 -146.028 -165.2178 76 11 3 6112 0 13 9
G-L -9.5344 -17.7725 -127.126 -154.4329 60 1 6 5629 3 8 8
H-I 0.0 0.0 -1.0287 -1.0287 8 0 0 89 0 2 2
H-J -75.0076 -63.7452 -358.233 -496.9859 124 21 12 15360 6 20 24
H-K 0.0 0.0 -0.0009 -0.0009 4 0 0 3 0 0 1
H-L -62.9382 -38.9016 -229.729 -331.5689 97 29 8 10673 1 17 11
I-J -40.5524 -50.3931 -187.296 -278.2415 84 4 5 8318 3 21 21
I-K -79.4757 -65.2303 -365.425 -510.131 125 26 13 15718 8 22 25
I-L 0.0 0.0 -0.0172 -0.0172 4 0 0 13 0 1 1
J-K 0.0 0.0 -2.9872 -2.9872 6 0 0 173 0 0 2
K-L -33.4286 -5.1233 -183.446 -221.9979 81 25 3 8298 1 23 13