3TVI
crystal structure of clostridium acetobutylicum aspartate kinase (caak): an important allosteric enzyme for industrial amino acids production
Total interactions analyzed 66
Total true interactions 27
Strongest Interaction Chains C-D
Int. Res. 202
Norm. En. per Res. -2.9747
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 -61.5038 -1.2222 -454.611 -517.3371 192 31 10 19221 2 69 82
A-C 0.0 0.0 -24.8625 -24.8625 26 1 0 1409 0 16 16
A-D 0.0 33.0453 -108.569 -75.5237 75 8 8 5240 2 26 31
A-I 0.0 -23.4016 -27.1383 -50.5399 38 1 0 1383 2 24 26
A-L -7.7826 6.6123 -67.0759 -68.2462 59 3 0 3085 0 36 34
B-C -2.6305 20.1404 -120.279 -102.7692 76 13 6 5958 0 31 31
B-D 0.0 0.6288 -3.4652 -2.8364 18 0 0 462 0 17 14
B-F -10.1413 -33.3607 -39.5109 -83.0129 44 3 0 1978 3 25 28
B-G -31.3763 -20.7056 -91.6997 -143.7816 60 6 0 3904 3 31 30
C-D -73.3837 -92.4752 -435.021 -600.8799 202 37 10 18906 5 68 85
C-E 0.0 0.0 -9.6881 -9.6881 29 1 0 529 0 14 14
C-G 0.0 -4.7934 -0.5096 -5.303 4 0 0 81 0 2 6
C-J -16.5641 19.799 -75.4552 -72.2204 69 4 2 3975 1 29 23
D-E -6.8093 11.4366 -45.2634 -40.6361 60 1 2 3241 0 20 19
D-J 0.0 2.159 -9.5914 -7.4323 37 0 0 790 0 16 15
E-F -47.2548 -74.1416 -346.79 -468.1864 181 26 10 15134 8 56 77
E-G 0.0 -9.5194 -47.5504 -57.0698 38 0 0 2499 1 16 20
E-H 0.0 29.9615 -100.821 -70.8595 86 6 8 5228 0 29 36
F-G 0.0 29.9093 -106.434 -76.5247 88 13 8 6341 1 32 35
F-H -7.8324 -11.4147 -49.0647 -68.3118 35 0 0 2492 1 15 19
G-H -60.0182 -72.9195 -401.731 -534.6686 184 28 10 16308 11 55 73
I-J -78.2537 -41.4595 -434.196 -553.9092 202 32 13 18257 3 68 82
I-K -5.0565 0.9684 -29.3011 -33.3891 26 1 0 1187 0 17 16
I-L 0.0 34.8622 -108.305 -73.4428 72 6 9 5293 1 31 32
J-K -11.7857 34.1896 -104.255 -81.8511 75 5 9 5022 1 32 34
J-L -3.7715 1.0516 -19.1285 -21.8484 24 1 0 911 0 15 13
K-L -92.7217 -38.5883 -420.013 -551.323 201 35 11 17731 7 70 88