3U8K
crystal structure of the acetylcholine binding protein (achbp) from lymnaea stagnalis in complex with ns3573 (1-(5-ethoxypyridin-3-yl)-1, 4-diazepane)
Total interactions analyzed 190
Total true interactions 27
Strongest Interaction Chains P-Q
Int. Res. 127
Norm. En. per Res. -2.8438
Hub Node C(3)
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 -23.726 -1.6207 -283.891 -309.2377 127 11 6 12194 6 31 28
A-E -30.3187 6.5247 -308.234 -332.028 135 15 6 13341 6 34 31
B-C -30.4428 -3.7345 -288.509 -322.6863 128 5 5 12413 5 31 28
B-M -6.8804 9.2219 -63.048 -60.7064 36 3 1 2760 0 11 12
B-N 0.0 6.0238 -0.2432 5.7806 12 0 0 60 0 9 4
C-D -31.0941 -1.0704 -279.592 -311.7565 128 7 5 12158 5 32 29
C-M 0.0 5.1441 -0.0685 5.0756 10 0 0 13 0 12 4
C-N 0.0 5.7369 -4.2855 1.4513 7 0 0 161 0 4 1
D-E -30.992 -14.6523 -289.656 -335.3002 131 14 6 12677 6 32 30
D-G 0.0 11.1332 -27.9825 -16.8493 38 1 0 1867 0 21 19
D-H -5.5238 -6.5776 -12.3373 -24.4387 17 0 0 662 0 9 6
F-G -22.2905 -6.2123 -277.016 -305.5188 130 13 5 12101 5 32 28
F-J -35.0953 6.4355 -295.255 -323.9149 127 14 6 12782 6 35 30
G-H -36.5814 -17.4823 -295.061 -349.1248 129 9 6 12444 6 32 27
H-I -23.2751 5.4129 -293.73 -311.5922 124 6 5 12478 4 32 27
I-J -27.4113 -30.2408 -271.674 -329.3261 130 10 5 12077 4 31 28
J-S 0.0 15.0518 -55.0919 -40.0401 50 5 0 3028 0 30 27
K-L -22.5253 -6.4436 -285.155 -314.124 128 8 6 12184 4 31 27
K-O -27.8445 -1.9949 -289.671 -319.5104 127 9 6 12453 4 35 27
L-M -33.347 -1.0576 -276.654 -311.0586 131 8 7 12376 4 32 29
M-N -28.4455 -5.3472 -278.518 -312.3107 127 6 5 12206 4 34 29
N-O -23.152 -1.5009 -278.809 -303.4618 126 6 5 12080 6 31 28
P-Q -31.1641 -42.065 -287.938 -361.1671 127 9 6 12226 9 32 30
P-T -25.7607 3.4837 -278.128 -300.405 127 5 5 12131 5 32 28
Q-R -24.3314 -5.87 -281.865 -312.0663 123 10 6 12162 5 28 23
R-S -23.8507 -14.7614 -296.523 -335.1351 129 6 6 12348 4 32 29
S-T -26.2321 -12.2737 -280.373 -318.8788 125 11 6 12240 5 29 25