1ZO8
x-ray structure of the haloalcohol dehalogenase hhec of agrobacterium radiobacter ad1 in complex with (s)-para- nitrostyrene oxide, with a water molecule in the halide- binding site
Total interactions analyzed 120
Total true interactions 35
Strongest Interaction Chains E-F
Int. Res. 149
Norm. En. per Res. -4.3411
Hub Node E(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-B -65.6165 -67.0545 -473.553 -606.224 148 16 19 20414 7 33 35
A-C 0.0 -58.1407 -328.797 -386.9377 102 14 0 12021 4 18 19
A-D -108.3289 -1.709 -484.579 -594.6169 140 16 9 17365 0 25 17
A-G 0.0 -13.3083 -39.4159 -52.7242 58 0 1 2770 2 36 37
A-H 0.0 0.0 -7.8805 -7.8805 23 0 0 585 0 11 8
B-C -106.1256 -2.0359 -482.404 -590.5655 141 17 9 17604 0 26 19
B-D -2.2513 -65.5982 -324.087 -391.9364 98 12 0 12092 8 18 19
C-D -71.1706 -49.0582 -444.065 -564.2938 150 20 19 20144 7 31 34
D-E -7.6329 0.0 -14.6292 -22.2621 15 2 0 624 0 0 7
D-G 0.0 -9.7045 -7.2596 -16.9641 17 1 0 425 1 5 7
D-H -11.4989 4.6645 -41.8031 -48.6375 32 3 0 1897 0 12 12
E-F -83.9101 -73.2595 -489.647 -646.8166 149 16 20 20673 9 34 35
E-G -5.3952 -61.0899 -335.105 -401.5902 100 16 0 12050 4 18 19
E-H -88.0957 -1.6567 -485.71 -575.4625 141 13 9 17294 0 26 18
E-I 0.0 0.0 -1.0744 -1.0744 8 0 0 169 0 0 4
E-K 0.0 -9.2425 -6.4236 -15.6661 13 0 0 418 1 4 6
E-L -12.1686 2.9932 -49.5216 -58.697 38 2 0 2247 0 11 17
F-G -100.4135 -2.1444 -486.606 -589.1639 139 13 9 17575 0 26 18
F-H -4.6842 -68.6623 -322.196 -395.5425 100 9 0 11783 7 18 20
G-H -71.7845 -48.3619 -476.337 -596.4834 148 16 19 20130 5 33 35
H-I 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
H-K 0.0 -11.7356 -50.6296 -62.3652 59 4 2 3198 2 34 40
H-L -7.0394 -3.2546 -37.033 -47.327 37 0 1 1639 0 12 11
I-J -63.3328 -75.7575 -478.945 -618.0353 148 14 20 20263 7 31 35
I-K -2.7421 -61.624 -331.581 -395.9471 101 8 0 11987 4 18 18
I-L -86.4752 -1.4192 -490.947 -578.8414 141 18 9 17492 0 26 17
I-M -14.1602 3.9928 -42.5826 -52.75 35 2 0 1983 0 12 15
I-N 0.0 -7.1655 -7.1517 -14.3172 14 1 0 418 0 5 8
J-K -111.1443 -1.4193 -486.709 -599.2726 141 15 9 17469 0 26 19
J-L -5.526 -63.467 -318.055 -387.048 101 19 0 11975 6 18 19
K-L -71.395 -48.0436 -483.299 -602.7376 148 21 19 20331 5 34 35
L-M 0.0 0.0 -6.2258 -6.2258 24 0 0 548 0 10 9
L-N 0.0 -13.4595 -41.5444 -55.0039 57 0 1 2783 2 36 37
M-N -75.8234 -68.6737 -451.732 -596.229 148 23 18 20190 9 32 35
O-P -76.9232 -2.5805 -490.192 -569.6957 140 13 9 17423 0 26 18