3MB2
kinetic and structural characterization of a heterohexamer 4- oxalocrotonate tautomerase from chloroflexus aurantiacus j-10-fl: implications for functional and structural diversity in the tautomerase superfamily
Total interactions analyzed 66
Total true interactions 36
Strongest Interaction Chains A-D
Int. Res. 90
Norm. En. per Res. -5.4727
Hub Node A(7)
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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 0.0 0.0 -0.2746 -0.2746 4 0 0 39 0 2 0
A-C -46.4136 -10.3433 -124.763 -181.5199 51 6 2 5549 1 8 10
A-D -89.867 -98.3455 -304.331 -492.5435 90 14 19 12357 4 9 10
A-E -46.8015 -8.5913 -113.22 -168.6128 52 7 1 5442 1 8 10
A-F -5.2635 23.1667 -47.5156 -29.6125 24 2 0 1948 3 3 1
A-I -7.9624 18.8534 -26.6882 -15.7972 15 12 0 1129 0 6 10
A-K 0.0 16.1904 -3.2064 12.984 21 0 0 447 0 7 6
B-C -7.4966 19.8939 -56.6882 -44.2909 26 2 0 2002 4 3 1
B-D -27.703 -31.1225 -132.139 -190.9645 55 8 8 5854 3 6 2
B-E -100.2513 -83.3716 -290.566 -474.1889 92 11 18 12010 5 10 9
B-F -32.2378 -46.5529 -99.7491 -178.5399 47 9 5 4554 4 3 2
C-D 0.0 0.0 -0.1982 -0.1982 7 0 0 32 0 2 0
C-E -42.6227 -7.9277 -116.708 -167.2584 51 7 1 5543 1 8 10
C-F -89.6756 -74.4023 -292.975 -457.0529 92 9 19 12141 5 9 9
C-G 0.0 16.7203 -36.0745 -19.3542 14 5 0 1050 0 6 9
C-I 0.0 15.2884 -3.1954 12.0931 18 0 0 437 0 6 5
D-E -4.3956 11.5924 -39.4404 -32.2436 26 6 0 1747 3 3 1
D-F -19.3517 0.0 -129.496 -148.8477 52 2 8 5795 0 5 2
E-F 0.0 0.0 -0.2068 -0.2068 6 0 0 38 0 2 0
E-G 0.0 16.5647 -2.8806 13.6841 18 0 0 409 0 6 6
E-K -2.8719 18.0276 -30.0599 -14.9042 14 11 0 1087 0 6 9
G-H 0.0 0.0 -0.199 -0.199 5 0 0 31 0 2 0
G-I -50.5594 -11.3054 -124.136 -186.0008 50 7 2 5528 1 8 10
G-J -86.3804 -100.7252 -297.525 -484.6306 92 14 19 12408 6 10 8
G-K -44.4661 -11.293 -114.009 -169.7681 51 7 1 5489 1 8 10
G-L -3.702 26.9298 -42.7098 -19.482 24 4 0 1877 3 3 1
H-I -7.3318 13.5863 -34.1675 -27.9129 27 12 0 2097 4 3 1
H-J -41.3335 -42.764 -137.835 -221.9325 53 7 8 5922 3 5 2
H-K -105.1081 -94.0671 -288.964 -488.1392 91 11 18 12059 5 9 9
H-L -58.5406 -40.8725 -113.234 -212.6471 46 5 6 4507 2 3 2
I-J 0.0 0.0 -0.2077 -0.2077 8 0 0 38 0 2 0
I-K -56.6148 -13.9667 -123.372 -193.9535 51 7 2 5548 1 8 10
I-L -99.8138 -99.9695 -308.774 -508.5573 93 9 19 12482 7 10 9
J-K -7.8093 12.8725 -40.9911 -35.9279 25 2 0 1854 4 3 1
J-L -27.5374 -36.9972 -129.198 -193.7326 53 6 8 5878 2 6 2
K-L 0.0 0.0 -0.1931 -0.1931 6 0 0 32 0 2 0