3FYU
crystal structure of acetyl xylan esterase from bacillus pumilus obtained in presence of d-xylose and sodium acetate
Total interactions analyzed 66
Total true interactions 25
Strongest Interaction Chains D-E
Int. Res. 46
Norm. En. per Res. -4.8463
Hub Node A(4)
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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 -19.2909 -72.0049 -116.261 -207.5568 47 1 1 3996 4 9 10
A-C -132.806 -1.736 -364.021 -498.563 118 27 0 11858 0 28 35
A-E -27.7766 2.0065 -221.325 -247.0951 95 7 3 9149 0 22 28
A-F -22.9549 -74.7174 -117.72 -215.3924 47 2 1 4138 5 9 10
B-C -24.9767 2.0171 -227.17 -250.1296 95 6 3 9167 0 23 28
B-D -129.1284 -1.7012 -371.214 -502.0437 119 31 0 11835 0 28 35
B-F -19.8781 -72.668 -101.842 -194.3881 44 2 1 3741 5 9 10
C-D -25.6746 -75.1956 -104.262 -205.1322 45 2 1 3764 5 9 10
C-E -21.555 -75.5942 -120.215 -217.3642 48 5 1 4199 5 10 10
C-I -24.146 -7.3965 -62.4134 -93.9559 38 11 0 2679 0 22 16
D-E -23.2592 -75.8498 -123.821 -222.93 46 3 1 4231 5 10 10
D-F -28.3344 0.9911 -220.84 -248.1832 94 5 3 8964 0 22 28
E-F -124.9234 -1.4702 -355.173 -481.5666 118 31 0 11760 0 28 34
G-H -19.429 -73.1877 -113.71 -206.3267 47 1 1 3941 5 9 9
G-I -25.6896 -69.2284 -105.99 -200.908 44 2 1 3726 5 9 9
G-L -27.2568 2.1448 -208.696 -233.808 92 8 3 8831 0 22 28
G-M -112.7837 -1.8089 -345.096 -459.6886 119 28 0 11629 0 28 35
H-I -16.3557 -67.2964 -104.361 -188.0131 44 1 1 3680 5 9 9
H-M -25.8478 2.1297 -200.299 -224.0171 92 15 3 8832 0 22 28
H-N -117.5409 -2.0987 -370.025 -489.6646 118 29 0 11807 0 28 35
I-L -124.9575 -1.9583 -360.974 -487.8898 119 35 0 11773 0 28 35
I-N -28.7525 2.1589 -227.029 -253.6226 92 10 3 9114 0 22 28
L-M -23.3804 -71.2843 -120.545 -215.2097 48 5 1 4262 5 10 10
L-N -27.6898 -69.6695 -108.219 -205.5783 44 3 1 3800 5 9 9
M-N -23.9125 -71.8067 -109.052 -204.7712 48 3 1 4070 5 9 9