4OTA
4-oxalocrotonate tautomerase observed as an octodecamer, orthorhombic crystal form
Total interactions analyzed 153
Total true interactions 56
Strongest Interaction Chains F-M
Int. Res. 22
Norm. En. per Res. -4.7738
Hub Node B(6)
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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 -78.6032 -60.2176 -241.408 -380.2287 84 14 18 11195 2 16 20
A-C -52.3881 -24.9907 -132.012 -209.3908 56 10 1 5692 2 15 18
A-D 0.0 36.2451 -16.8684 19.3767 20 6 1 1232 0 0 1
A-E -57.0654 -22.7087 -134.914 -214.6882 56 10 1 5720 1 15 18
A-F 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 1
B-C 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 1
B-D -62.8697 -31.0075 -133.164 -227.0412 57 13 2 5963 2 17 20
B-E 0.0 31.1299 -19.8722 11.2577 20 2 1 1149 0 0 1
B-F -48.3912 -21.7664 -140.838 -210.9956 56 12 2 5928 1 17 19
B-O 0.0 2.0994 -29.459 -27.3596 18 1 0 1091 2 21 21
B-Q 0.0 0.0 -0.2796 -0.2796 13 0 0 77 0 5 10
C-D -71.0968 -52.4072 -241.213 -364.717 84 11 18 11138 2 16 20
C-E -50.014 -23.6791 -135.239 -208.9321 58 9 1 5787 1 15 18
C-F 0.0 32.2766 -25.3005 6.9761 20 1 1 1341 0 0 1
D-E 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 1
D-F -48.5401 -22.8307 -145.651 -217.0218 56 12 2 6049 2 17 19
D-M 0.0 0.0 -2.2639 -2.2639 19 0 0 343 0 8 13
D-Q -30.1843 -22.3034 -43.6298 -96.1175 21 5 0 1439 2 28 21
E-F -63.8483 -57.2732 -234.516 -355.6375 84 12 17 11152 2 16 20
F-M -35.9809 -26.0855 -42.9569 -105.0233 22 5 0 1511 2 28 21
F-O 0.0 0.0 -0.2382 -0.2382 15 0 0 76 0 4 9
G-H -64.0045 -49.0348 -216.667 -329.7062 84 9 17 10774 2 16 20
G-I -38.5641 -25.2735 -138.335 -202.1726 55 10 2 5924 1 17 19
G-J 0.0 36.6645 -21.4182 15.2463 20 4 1 1340 0 0 1
G-K -69.0717 -32.2912 -139.457 -240.8199 56 15 2 6019 2 17 19
G-N -24.6252 -21.4233 -39.9176 -85.9661 20 3 0 1366 2 23 21
G-R 0.0 0.0 -0.3687 -0.3687 16 0 0 116 0 6 7
H-I 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 1
H-J -50.325 -24.0678 -135.309 -209.7018 58 11 2 5888 1 15 19
H-K 0.0 32.2016 -25.6725 6.5291 20 2 1 1365 0 0 1
H-L -52.3959 -24.4908 -141.329 -218.2158 58 12 2 6023 2 15 19
I-J -69.0642 -52.6054 -237.8 -359.4697 84 13 16 11050 2 16 20
I-K -62.4874 -31.7891 -129.341 -223.6175 57 14 2 5900 2 17 19
I-L 0.0 33.2725 -13.2945 19.978 20 5 1 1051 0 0 1
I-N 0.0 0.0 -0.4351 -0.4351 16 0 0 130 0 6 9
I-P -18.5612 -1.41 -39.0628 -59.034 20 3 0 1338 2 26 21
J-K 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 1
J-L -53.7738 -22.8051 -132.86 -209.439 57 9 1 5689 1 15 19
K-L -69.3223 -65.4613 -237.921 -372.7046 84 15 17 11306 2 16 20
K-P 0.0 0.0 -0.2907 -0.2907 18 0 0 85 0 5 10
K-R -9.2573 -5.3867 -37.2039 -51.8479 19 2 0 1257 2 22 21
M-N -63.8933 -48.1649 -215.847 -327.9052 86 9 17 10690 2 18 21
M-O -51.817 -31.2077 -132.423 -215.4477 57 14 2 5880 2 17 19
M-P 0.0 37.4473 -6.3103 31.137 20 5 1 1151 0 0 1
M-Q -53.8855 -27.8711 -145.075 -226.8316 58 11 2 6081 3 18 20
M-R 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 1
N-O 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 1
N-P -47.2634 -22.9035 -125.838 -196.005 56 11 2 5776 1 17 20
N-Q 0.0 35.0999 -24.0969 11.003 20 4 1 1350 0 0 1
N-R -44.9293 -10.9604 -138.659 -194.5486 55 11 2 5965 0 14 17
O-P -70.0746 -48.1875 -215.162 -333.4241 88 10 17 10703 2 18 21
O-Q -53.1225 -26.2868 -147.854 -227.2632 58 12 2 6059 2 17 20
O-R 0.0 36.1402 -14.7715 21.3687 20 5 1 1227 0 0 1
P-Q 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 1
P-R -50.0609 -24.98 -131.764 -206.8049 58 11 2 5958 1 17 20
Q-R -63.3264 -49.7818 -201.848 -314.9562 87 7 17 10547 2 18 21