2NXH
structural and mechanistic changes along an engineered path from metallo to non-metallo kdo8p synthase.
Total interactions analyzed 66
Total true interactions 24
Strongest Interaction Chains G-H
Int. Res. 146
Norm. En. per Res. -4.0191
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 -87.1174 -37.3249 -438.202 -562.6443 153 12 8 16938 11 40 54
A-C 0.0 0.0 -43.1208 -43.1208 20 1 0 1316 0 0 0
A-D -57.7761 -18.4876 -361.041 -437.3047 132 7 22 15531 8 28 26
A-G 0.0 15.8757 -60.3901 -44.5144 43 7 1 2425 0 18 23
A-H 0.0 -1.0226 -18.072 -19.0946 12 2 0 744 1 10 4
B-C -67.7252 -24.4908 -369.495 -461.711 131 12 22 15701 10 29 28
B-D 0.0 0.0 -45.2347 -45.2347 20 2 0 1326 0 0 0
B-G -8.9847 -23.968 -32.3708 -65.3235 39 0 0 1539 1 20 19
C-D -105.8577 -26.6657 -419.55 -552.0733 151 27 7 16831 9 40 54
E-F -80.3344 -26.5396 -410.795 -517.669 148 15 8 16286 8 31 45
E-G 0.0 0.0 -45.9385 -45.9385 20 1 0 1314 0 0 0
E-H -59.5047 -21.8341 -356.601 -437.9398 130 11 20 15652 10 27 27
F-G -46.6377 -7.9183 -354.253 -408.809 129 13 22 15432 7 28 27
F-H 0.0 0.0 -47.7434 -47.7434 20 1 0 1358 0 0 0
G-H -118.3453 -43.8508 -424.588 -586.7842 146 20 8 16413 11 35 50
G-I 0.0 -1.2997 -14.4757 -15.7754 12 2 0 613 0 12 6
G-J 0.0 10.9996 -52.0287 -41.0291 42 1 1 2047 0 15 21
H-J -7.4198 -23.7613 -28.4574 -59.6384 36 1 0 1228 1 18 21
I-J -122.4144 -32.1148 -432.04 -586.5692 147 15 8 16589 9 33 51
I-K 0.0 0.0 -44.9192 -44.9192 20 1 0 1326 0 0 0
I-L -59.1206 -24.7284 -375.397 -459.2461 132 4 21 15839 10 28 28
J-K -63.2553 -24.133 -353.481 -440.8693 127 14 21 15682 10 30 28
J-L 0.0 0.0 -43.5224 -43.5224 19 1 0 1298 0 0 0
K-L -113.8277 -27.8926 -429.368 -571.0883 152 22 7 16902 7 37 56