3U8N
crystal structure of the acetylcholine binding protein (achbp) from lymnaea stagnalis in complex with ns3950 (1-(6-bromo-5-ethoxypyridin- 3-yl)-1,4-diazepane)
Total interactions analyzed 190
Total true interactions 57
Strongest Interaction Chains P-T
Int. Res. 129
Norm. En. per Res. -2.7226
Hub Node A(5)
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 -31.0991 -3.2831 -294.065 -328.4473 132 9 6 12725 6 35 30
A-E -29.6359 -11.9335 -300.591 -342.1603 130 17 6 12793 7 33 29
A-F 0.0 0.0 -0.0008 -0.0008 2 0 0 2 0 0 1
A-G 0.0 9.2404 -63.3306 -54.0902 43 4 0 2745 0 14 15
A-H 0.0 62.9714 -4.29 58.6814 13 0 0 251 0 6 4
B-C -27.4335 -4.6534 -293.778 -325.8648 132 12 6 12693 6 33 29
B-F 0.0 0.0729 -61.6011 -61.5282 48 2 0 2869 0 14 14
B-G 0.0 61.2249 -3.6439 57.581 10 0 0 214 0 6 4
B-J 0.0 0.0 -0.0061 -0.0061 2 0 0 5 0 0 1
C-D -25.142 -4.8369 -301.695 -331.6739 132 15 6 12952 6 35 30
C-F 0.0 67.7899 -5.4683 62.3216 12 0 0 294 0 6 4
C-I 0.0 0.0 -0.033 -0.033 2 0 0 13 0 0 0
C-J 0.0 5.6476 -66.5425 -60.8949 44 2 0 2853 0 14 15
D-E -26.4576 -12.838 -302.26 -341.5556 130 10 6 12784 6 35 30
D-H 0.0 0.0 -0.0073 -0.0073 2 0 0 6 0 0 0
D-I 0.0 11.017 -55.4323 -44.4153 46 3 0 2739 0 14 14
D-J 0.0 66.0258 -4.7823 61.2435 12 0 0 265 0 6 4
E-G 0.0 0.0 -0.0091 -0.0091 2 0 0 7 0 0 0
E-H 0.0 1.7474 -59.7441 -57.9967 45 2 0 2664 0 14 15
E-I 0.0 64.2569 -4.2876 59.9693 10 0 0 242 0 6 4
E-L 0.0 63.0917 -70.66 -7.5683 55 15 0 3907 2 36 30
E-Q 0.0 8.7852 -4.1173 4.6679 2 0 0 151 0 1 2
F-G -26.8862 -11.8895 -298.402 -337.1777 129 10 5 12601 6 34 29
F-J -26.5831 -5.0489 -292.034 -323.666 129 13 6 12430 6 35 30
G-H -36.5606 -2.4841 -299.706 -338.7507 130 11 6 12672 6 35 29
G-P -5.2292 5.7102 -57.9153 -57.4343 37 7 1 2669 0 14 12
G-Q 0.0 -0.7066 -0.1049 -0.8116 13 0 0 49 0 12 5
H-I -26.2139 -8.8227 -283.0 -318.0366 131 11 6 12507 6 36 27
H-L 0.0 9.5428 -4.2411 5.3017 3 0 0 162 0 1 2
H-P 0.0 -2.1757 -0.2621 -2.4377 10 0 0 58 0 11 5
H-Q 0.0 4.181 -1.5094 2.6716 2 0 0 95 0 3 1
I-J -27.6735 -2.1221 -286.748 -316.5436 126 10 6 12418 6 34 30
K-L -30.8796 -14.0956 -298.441 -343.4162 131 14 6 12904 6 36 31
K-O -27.6578 -5.0802 -285.657 -318.395 128 16 6 12311 6 34 27
K-Q 0.0 0.0 -0.0056 -0.0056 2 0 0 6 0 0 0
K-R 0.0 10.9588 -60.2234 -49.2646 45 2 0 2656 0 14 15
K-S 0.0 75.1349 -6.8687 68.2662 14 0 0 344 0 6 4
L-M -33.8054 -15.7124 -290.889 -340.4068 131 15 6 12835 6 35 28
L-P 0.0 0.0 -0.01 -0.01 2 0 0 6 0 0 0
L-Q 0.0 10.0073 -59.1545 -49.1472 42 0 0 2543 0 14 14
L-R 0.0 68.9722 -5.4057 63.5666 12 0 0 294 0 6 4
M-N -30.5253 -5.3877 -290.367 -326.2799 126 11 6 12501 6 35 28
M-P 0.0 2.5903 -61.663 -59.0727 47 3 0 2852 0 14 15
M-Q 0.0 67.0376 -5.2335 61.8041 12 0 0 281 0 6 4
M-T 0.0 0.0 -0.0122 -0.0122 2 0 0 8 0 0 0
N-O -30.5674 -7.7445 -281.088 -319.3999 127 13 6 12283 6 34 29
N-P 0.0 71.088 -5.8767 65.2113 11 0 0 293 0 6 4
N-S 0.0 0.0 -0.0008 -0.0008 2 0 0 2 0 0 0
N-T 0.0 8.3878 -65.6643 -57.2765 45 2 0 2884 0 14 15
O-R 0.0 0.0 -0.0072 -0.0072 2 0 0 6 0 0 0
O-S 0.0 5.5119 -62.5567 -57.0448 47 3 0 2818 0 14 15
O-T 0.0 72.6203 -7.052 65.5683 14 0 0 349 0 6 4
P-Q -34.8094 -10.9587 -305.544 -351.3121 131 15 6 12956 6 37 29
P-T -33.4029 -24.7573 -293.05 -351.2102 129 17 6 12564 7 34 29
Q-R -28.9077 -5.2907 -285.031 -319.2293 130 13 5 12416 6 33 26
R-S -23.6136 -0.765 -299.384 -323.7626 129 11 6 12605 6 36 31
S-T -24.6023 -10.2038 -285.669 -320.4751 128 13 6 12380 6 33 28