3UBJ
influenza hemagglutinin from the 2009 pandemic in complex with ligand lsta
Total interactions analyzed 66
Total true interactions 37
Strongest Interaction Chains B-D
Int. Res. 134
Norm. En. per Res. -3.9361
Hub Node A(7)
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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 -231.1063 6.0592 -78.8115 -303.8585 228 51 32 31487 4 53 42
A-C 0.0 -4.1194 621.694 617.5746 55 8 1 3779 0 19 23
A-D -46.9683 -33.8228 -100.291 -181.0821 55 5 0 3967 2 28 19
A-E 0.0 -3.9514 563.227 559.2755 55 7 1 4033 0 22 23
A-F -19.7034 9.9745 -80.765 -90.4939 42 6 0 3339 0 10 11
A-G -2.5834 -19.5814 -65.1889 -87.3537 83 0 0 3791 1 29 29
A-H 0.0 0.0 -0.0243 -0.0243 3 0 0 5 0 0 0
B-C -8.4816 10.9217 -73.9919 -71.5517 40 3 0 3223 0 11 11
B-D -94.8247 -127.0849 -305.523 -527.4326 134 18 4 14044 11 49 55
B-E -52.3488 -46.1987 -96.4197 -194.9672 54 4 0 3810 2 28 20
B-F -53.7799 -84.1992 -277.953 -415.9321 121 9 3 12395 8 46 46
B-G 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 3 3
C-D -226.5862 -6.7702 -37.7183 -271.0747 226 44 35 31244 3 56 42
C-E -3.3638 -5.9675 636.916 627.5847 54 13 1 3850 0 20 24
C-F -47.2856 -37.7224 -97.4499 -182.4579 55 8 0 3785 2 28 20
D-E -18.2878 16.0271 -81.0275 -83.2881 41 4 0 3392 0 11 11
D-F -71.8073 -72.3567 -287.16 -431.324 127 12 3 13011 9 51 51
E-F -261.8098 -11.2432 -93.4927 -366.5457 226 54 32 31820 3 57 42
E-G -3.3028 -16.2798 -42.6539 -62.2366 54 4 0 2910 1 24 19
E-I 0.0 6.1375 -7.2326 -1.0951 16 0 0 678 0 6 9
F-G 0.0 0.0 -0.0023 -0.0023 3 0 0 3 0 0 0
F-I 0.0 0.0 -0.1291 -0.1291 7 0 0 31 0 0 0
G-H -237.6867 8.4228 -64.4565 -293.7204 222 44 33 31144 3 56 43
G-I 0.0 -4.899 593.364 588.465 52 9 1 3908 0 21 23
G-J -48.3388 -42.7197 -103.695 -194.7535 57 4 0 3983 2 29 20
G-K -2.6733 -3.152 608.942 603.1167 54 10 1 3750 0 19 23
G-L -8.1034 9.3995 -81.9617 -80.6656 41 3 0 3366 0 11 11
H-I 0.0 16.3759 -68.7255 -52.3496 40 3 0 3090 0 11 11
H-J -81.1233 -90.6818 -302.687 -474.492 136 17 3 13309 12 50 55
H-K -55.5212 -46.0132 -99.6666 -201.201 56 7 0 4035 2 30 20
H-L -68.6418 -88.6132 -293.038 -450.2929 124 11 3 12926 8 47 50
I-J -219.7172 -7.6423 -93.0523 -320.4118 221 44 33 31530 3 56 43
I-K 0.0 -4.5525 649.555 645.0025 48 10 1 3721 0 20 22
I-L -37.3557 -40.3154 -91.7547 -169.4257 55 4 0 3528 2 30 20
J-K 0.0 15.5675 -70.377 -54.8095 40 1 0 2973 0 11 10
J-L -79.7511 -85.741 -279.813 -445.3051 126 12 4 12736 9 46 48
K-L -240.7562 -0.3797 -56.7407 -297.8766 224 42 31 31576 6 54 40