1VLQ
crystal structure of acetyl xylan esterase (tm0077) from thermotoga maritima at 2.10 a resolution
Total interactions analyzed 66
Total true interactions 28
Strongest Interaction Chains H-I
Int. Res. 112
Norm. En. per Res. -4.3697
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 -34.5633 6.8288 -225.107 -252.8415 98 7 5 8746 0 32 31
A-C -15.9967 -7.9055 -124.056 -147.9582 53 3 4 4487 0 11 10
A-E -18.9958 -8.7068 -128.0 -155.7026 53 4 2 4437 1 12 10
A-F -77.1078 3.3472 -384.182 -457.9426 113 8 2 13367 0 36 28
B-C -90.7991 4.6006 -394.711 -480.9095 115 11 2 13362 0 35 29
B-D -22.4432 -6.9063 -129.412 -158.7616 51 3 1 4327 0 12 10
B-F -12.2983 -7.1906 -133.91 -153.3989 52 4 3 4567 0 12 10
C-D -28.9099 5.2823 -231.05 -254.6776 100 7 5 8884 0 32 29
C-E -11.8371 -8.5389 -134.971 -155.347 52 3 4 4577 1 11 10
D-E -79.7144 3.4484 -388.848 -465.114 111 11 2 13252 0 35 29
D-F -14.3159 -6.7587 -134.181 -155.2556 56 7 2 4537 0 11 10
D-J 0.0 -26.4552 -23.1662 -49.6214 43 0 0 1517 1 30 45
D-K -9.0919 3.821 -27.1038 -32.3748 36 1 1 1548 2 8 16
E-F -29.6485 5.5951 -227.577 -251.6304 99 5 5 8823 0 32 30
E-J -18.1061 2.257 -29.4263 -45.2754 37 1 1 1643 2 8 15
E-K 0.0 0.0 -0.776 -0.776 18 0 0 197 0 16 15
G-H -29.4551 7.8317 -229.719 -251.3424 97 7 5 8882 0 33 30
G-I -19.5813 -7.3994 -122.145 -149.1257 51 5 3 4420 0 11 10
G-K -14.1747 -13.2214 -130.68 -158.0761 52 3 2 4437 2 12 10
G-L -90.9087 4.448 -389.716 -476.1767 112 10 2 13369 0 36 28
H-I -100.9245 4.1576 -392.645 -489.4119 112 8 2 13502 0 36 28
H-J -17.2641 -7.4224 -132.882 -157.5685 54 1 4 4553 0 12 10
H-L -20.4717 -5.6755 -128.91 -155.0572 52 4 4 4510 0 12 10
I-J -29.6084 5.21 -228.055 -252.4535 99 3 5 8809 0 32 30
I-K -19.1264 -6.9705 -133.632 -159.7289 56 3 4 4622 0 11 10
J-K -86.9902 1.7093 -393.161 -478.4419 113 10 2 13477 0 34 29
J-L -3.7256 -5.4578 -119.184 -128.3675 55 4 3 4305 0 11 10
K-L -28.4182 7.2551 -227.918 -249.0811 99 6 5 8872 0 33 29