1PTO
the structure of a pertussis toxin-sugar complex as a model for receptor binding
Total interactions analyzed 66
Total true interactions 31
Strongest Interaction Chains I-K
Int. Res. 124
Norm. En. per Res. -4.0616
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 -40.7037 -40.7037 27 3 2 2097 0 1 0
A-C 0.0 0.0 -68.7814 -68.7814 42 3 1 3460 0 2 1
A-D -4.4486 0.0 -105.581 -110.0296 54 6 0 4473 0 8 4
A-E -34.5979 14.8661 -128.471 -148.2028 77 18 4 5908 0 12 8
A-F -21.9308 -26.1981 -128.879 -177.0079 63 5 7 5738 4 8 9
B-C 0.0 0.0 -0.8738 -0.8738 7 0 0 106 0 1 2
B-D -93.1963 -44.5448 -362.348 -500.0891 128 36 13 15468 6 22 25
B-E 0.0 0.0 -0.002 -0.002 5 0 0 6 0 0 1
B-F -62.0622 -52.3141 -247.06 -361.4362 93 22 8 10486 3 15 10
B-H 0.0 10.9528 -11.3898 -0.437 12 0 0 443 0 2 4
B-J -3.15 -7.6882 -69.1443 -79.9825 29 11 0 2962 0 5 7
C-D -26.2629 -27.7288 -159.079 -213.0707 83 12 5 7916 3 21 19
C-E -51.4117 -59.8236 -360.494 -471.7293 122 23 12 15352 7 22 24
C-F 0.0 0.0 -0.0151 -0.0151 5 0 0 14 0 1 1
D-E 0.0 0.0 -3.2084 -3.2084 7 0 0 192 0 0 2
D-H -3.5255 -6.9934 -67.5485 -78.0673 28 2 0 2682 0 5 6
E-F -52.7158 -21.4949 -202.816 -277.0267 79 11 2 8040 3 24 15
G-H 0.0 0.0 -40.1471 -40.1471 27 1 1 2063 0 1 0
G-I -2.3549 0.0 -70.3323 -72.6872 42 3 1 3532 0 2 1
G-J -4.1654 0.0 -101.499 -105.6644 54 10 0 4522 0 8 4
G-K -28.7481 11.9724 -109.778 -126.5537 75 22 4 5918 0 12 10
G-L -21.7738 -22.2242 -124.072 -168.07 64 7 7 5709 3 8 8
H-I 0.0 0.0 -0.7966 -0.7966 7 0 0 97 0 1 2
H-J -87.5391 -50.4789 -344.646 -482.6641 128 33 13 15579 8 22 26
H-K 0.0 0.0 -0.0016 -0.0016 5 0 0 5 0 0 1
H-L -51.7873 -29.1184 -235.256 -316.1617 93 22 6 10469 3 15 10
I-J -40.6299 -31.3255 -170.454 -242.4094 83 12 5 8081 3 21 21
I-K -79.8964 -56.6035 -367.135 -503.6349 124 21 12 15445 7 22 25
I-L 0.0 0.0 -0.0183 -0.0183 5 0 0 17 0 1 1
J-K 0.0 0.0 -3.0623 -3.0623 7 0 0 190 0 0 2
K-L -33.5729 -19.605 -199.124 -252.3019 79 15 2 8230 2 24 15