3U8L
crystal structure of the acetylcholine binding protein (achbp) from lymnaea stagnalis in complex with ns3570 (1-(5-phenylpyridin-3-yl)-1, 4-diazepane)
Total interactions analyzed 45
Total true interactions 25
Strongest Interaction Chains F-G
Int. Res. 129
Norm. En. per Res. -2.6553
Hub Node A(5)
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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 -29.0732 5.8923 -300.896 -324.0769 136 15 5 12934 5 34 29
A-E -24.9446 0.6726 -265.75 -290.022 126 7 6 12024 5 34 26
A-G 0.0 0.0 -0.0103 -0.0103 2 0 0 8 0 0 1
A-H 0.0 -1.3265 -50.3861 -51.7126 41 1 0 2307 0 14 15
A-I 0.0 65.7498 -4.6545 61.0953 14 0 0 272 0 6 4
B-C -17.3205 -3.221 -273.797 -294.3384 128 4 5 11998 5 34 27
B-F 0.0 0.0 -0.0012 -0.0012 2 0 0 3 0 0 1
B-G 0.0 -2.8519 -49.5448 -52.3967 45 5 0 2807 0 14 14
B-H 0.0 65.3958 -4.2394 61.1565 13 0 0 244 0 6 4
C-D -18.8117 2.882 -271.958 -287.8877 129 8 6 11906 5 33 28
C-F 0.0 12.6661 -69.8265 -57.1604 48 1 0 3005 0 14 15
C-G 0.0 70.7768 -6.4676 64.3092 14 0 0 331 0 6 4
C-J 0.0 0.0 -0.0087 -0.0087 2 0 0 7 0 0 0
D-E -21.5266 -26.8512 -274.383 -322.7608 131 10 6 12081 6 34 28
D-F 0.0 78.1103 -7.7493 70.361 12 0 0 335 0 6 4
D-I 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
D-J -4.6052 -4.035 -84.0084 -92.6486 52 2 0 3437 1 14 15
E-H 0.0 0.0 -0.0579 -0.0579 2 0 0 18 0 0 1
E-I -8.7449 -27.9349 -78.45 -115.1298 53 8 0 3467 2 14 14
E-J 0.0 73.2504 -7.3884 65.862 14 0 0 362 0 7 4
F-G -35.3525 -9.7101 -297.469 -342.5316 129 10 6 12614 6 33 28
F-J -20.5959 -12.2524 -266.437 -299.2853 127 9 6 11661 6 34 28
G-H -28.1836 10.7724 -276.982 -294.3932 128 9 6 12270 6 34 25
H-I -23.4751 7.5739 -272.951 -288.8522 130 5 6 11738 5 33 28
I-J -14.667 -32.069 -266.773 -313.509 129 5 5 11760 6 34 27