3N59
type ii dehydroquinase from mycobacterium tuberculosis complexed with 3-dehydroshikimate
Total interactions analyzed 276
Total true interactions 64
Strongest Interaction Chains M-W
Int. Res. 62
Norm. En. per Res. -5.9223
Hub Node C(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-D 0.0 0.0 -0.0184 -0.0184 5 0 0 13 0 5 4
A-G -71.5155 48.6234 -312.023 -334.9151 101 12 8 11913 0 19 35
A-J 0.0 0.0 -0.0196 -0.0196 5 0 0 12 0 4 4
A-K -43.3021 -142.982 -146.709 -332.9931 65 6 1 5610 13 22 24
A-L -20.8393 -109.5625 -138.752 -269.1538 67 7 1 5571 7 27 25
B-C -48.8414 -112.8406 -170.961 -332.643 68 7 2 6380 12 29 26
B-E -30.3298 -145.7627 -141.679 -317.7715 64 6 2 5528 12 24 21
B-F -85.5203 51.2632 -317.352 -351.6091 103 15 8 11887 0 20 35
B-G 0.0 0.0 -0.0352 -0.0352 5 0 0 15 0 5 4
B-K 0.0 0.0 -0.0215 -0.0215 5 0 0 14 0 5 4
B-N 0.0 5.2724 -12.1181 -6.8457 19 0 2 707 0 6 6
C-E -47.9896 -111.4378 -153.002 -312.4294 65 5 2 5669 13 24 21
C-F 0.0 0.0 -0.0477 -0.0477 5 0 0 16 0 5 4
C-H -68.3773 48.2783 -317.248 -337.347 101 10 8 11830 0 18 35
C-I 0.0 0.0 -0.0188 -0.0188 3 0 0 11 0 5 4
C-N 0.0 22.4304 -13.3077 9.1227 25 0 0 931 0 9 11
C-Q 0.0 6.1294 -14.0959 -7.9665 18 0 0 659 0 7 9
D-F -47.1789 -117.7755 -148.284 -313.2384 65 4 1 5465 11 24 21
D-G -26.5057 -144.7354 -153.703 -324.9441 65 7 2 5690 11 24 21
D-I -72.2178 49.0059 -316.813 -340.0248 99 7 8 11885 0 19 35
D-J 0.0 0.0 -0.0346 -0.0346 5 0 0 15 0 4 4
E-H 0.0 1.0901 -0.0221 1.0681 5 0 0 14 0 5 4
E-K -70.2884 51.2206 -317.835 -336.9028 99 7 8 11937 0 20 33
E-L 0.0 2.6081 -0.0589 2.5492 5 0 0 18 0 5 4
F-G -41.7526 -108.2228 -170.104 -320.0794 68 7 1 6339 14 29 26
F-I 0.0 0.0 -0.022 -0.022 5 0 0 15 0 5 4
G-K 0.0 0.0 -0.0217 -0.0217 5 0 0 18 0 5 4
H-I -24.4781 -118.8752 -146.201 -289.5543 63 4 1 5549 12 25 22
H-J -26.6283 -74.6591 -146.968 -248.2553 64 7 2 5452 11 23 22
H-L 0.0 0.0 -0.023 -0.023 5 0 0 15 0 7 4
H-Q 0.0 0.0 -0.0014 -0.0014 2 0 0 1 0 2 2
I-J -35.3185 -136.1577 -150.213 -321.6893 64 4 2 5585 10 24 22
J-L -65.1449 46.843 -307.895 -326.1969 102 10 8 11738 0 19 33
K-L -42.6861 -121.9673 -155.099 -319.7523 66 8 1 5730 11 30 25
M-P 0.0 0.0 -0.051 -0.051 5 0 0 16 0 5 4
M-S -69.3347 46.5528 -313.054 -335.836 100 8 8 11855 0 19 33
M-V 0.0 0.0 -0.0142 -0.0142 5 0 0 11 0 5 4
M-W -54.8779 -162.1131 -150.19 -367.181 62 4 1 5572 12 21 21
M-X -31.3017 -143.1731 -146.639 -321.1138 62 4 1 5586 13 23 21
N-O -40.8928 -119.2172 -151.382 -311.492 64 7 1 5569 13 23 21
N-Q -31.205 -127.2846 -139.396 -297.8856 65 4 1 5419 10 24 21
N-R -68.2819 47.4952 -318.685 -339.4717 102 10 8 11887 0 20 33
N-S 0.0 0.0 -0.0346 -0.0346 5 0 0 17 0 5 4
N-W 0.0 0.0 -0.0239 -0.0239 5 0 0 16 0 5 4
O-Q -43.4226 -113.2022 -149.618 -306.2428 64 3 1 5505 12 29 25
O-R 0.0 3.6821 -0.0347 3.6474 5 0 0 13 0 6 4
O-T -87.3641 48.6872 -313.459 -352.1359 101 13 8 11645 0 18 33
O-U 0.0 0.0 -0.0451 -0.0451 5 0 0 16 0 5 4
P-R -32.1317 -155.3405 -154.457 -341.9292 63 6 2 5677 12 23 21
P-S -36.4614 -145.9215 -147.063 -329.446 64 4 1 5585 11 24 21
P-U -66.9573 45.4417 -302.374 -323.8896 101 12 8 11519 0 19 32
P-V 0.0 0.0 -0.0189 -0.0189 3 0 0 11 0 5 4
Q-T 0.0 0.0 -0.0189 -0.0189 5 0 0 13 0 5 4
Q-W -71.188 44.8368 -309.936 -336.2872 100 10 8 11699 0 20 35
Q-X 0.0 2.0367 -0.0388 1.9979 5 0 0 18 0 5 4
R-S -39.3574 -149.0509 -151.278 -339.6863 64 6 1 5604 12 24 21
R-U 0.0 0.0 -0.0193 -0.0193 5 0 0 13 0 5 4
S-W 0.0 0.0 -0.0233 -0.0233 5 0 0 17 0 6 4
T-U -41.5796 -142.8564 -149.239 -333.675 64 3 1 5575 10 23 22
T-V -38.6975 -138.5866 -148.502 -325.7862 63 3 2 5616 12 23 21
T-X 0.0 0.0 -0.0189 -0.0189 2 0 0 10 0 5 4
U-V -49.1786 -156.4096 -148.969 -354.5572 62 7 2 5604 13 24 21
V-X -66.4849 48.2308 -303.542 -321.7961 104 12 8 11556 0 20 33
W-X -42.9248 -142.4468 -143.214 -328.5857 66 5 1 5507 11 23 22