2DD5
thiocyanate hydrolase (scnase) from thiobacillus thioparus native holo-enzyme
Total interactions analyzed 66
Total true interactions 46
Strongest Interaction Chains K-L
Int. Res. 197
Norm. En. per Res. -7.0137
Hub Node B(8)
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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 -32.2885 12.6541 -228.655 -248.2894 82 7 1 8501 5 42 42
A-C -167.7033 -182.0799 -501.813 -851.5962 137 24 6 17877 14 44 25
A-E 0.0 14.0967 -88.5411 -74.4445 39 2 1 3544 0 17 16
A-F 0.0 5.2991 -24.4691 -19.17 20 0 0 984 0 7 6
A-J -2.3305 -19.7245 -49.238 -71.293 20 6 0 1919 2 5 4
A-K -10.4955 0.2399 -162.938 -173.1936 60 6 8 6554 0 19 19
A-L 0.0 0.0 -2.5106 -2.5106 8 0 0 207 0 0 2
B-C -204.1028 -148.4373 -962.492 -1315.0321 197 60 27 36747 17 99 78
B-D 0.0 17.801 -94.082 -76.281 40 2 1 3704 0 16 16
B-E -7.9436 -48.6578 -290.724 -347.3254 110 11 7 11861 4 22 32
B-F -7.63 0.0 -19.6793 -27.3093 26 0 0 977 0 4 6
B-H -79.1005 7.7592 -138.968 -210.3092 57 10 0 5168 0 5 3
B-J -17.255 0.279 -165.431 -182.407 60 8 9 6520 0 21 21
B-K -66.6547 -59.6802 -353.892 -480.2269 146 9 8 14474 9 35 45
B-L 0.0 -12.0499 -55.1142 -67.1641 38 1 1 2365 1 7 6
C-D 0.0 2.6596 -26.4835 -23.8239 22 0 0 1071 0 7 6
C-E -7.7774 0.0 -19.2501 -27.0275 25 0 0 953 0 4 6
C-F -2.5878 0.0 -61.4295 -64.0173 39 4 1 2482 0 6 5
C-J 0.0 0.0 -2.6577 -2.6577 7 0 0 214 0 0 2
C-K 0.0 -7.7833 -62.7348 -70.5181 39 0 1 2424 2 8 6
D-E -49.2418 10.2302 -220.847 -259.8586 83 7 1 8262 4 42 41
D-F -167.1525 -170.9682 -495.767 -833.8877 140 24 6 17847 12 44 25
D-G 0.0 -0.9213 -30.5284 -31.4497 17 1 0 1408 0 5 4
D-H -16.885 -0.0645 -164.297 -181.2465 59 8 9 6489 0 18 18
D-I 0.0 0.0 -2.8305 -2.8305 7 0 0 218 0 0 2
E-F -202.5778 -156.272 -953.624 -1312.4738 196 52 26 36179 18 97 75
E-G -15.9198 0.2889 -161.13 -176.7609 60 8 8 6449 0 19 20
E-H -66.236 -63.6737 -349.463 -479.3726 147 8 8 14310 8 33 42
E-I 0.0 -3.4636 -63.888 -67.3516 38 1 1 2472 2 8 6
E-K -73.9701 5.9058 -150.944 -219.0083 58 10 0 5365 0 5 3
F-G 0.0 0.0 -2.6448 -2.6448 8 0 0 217 0 0 2
F-H 0.0 -14.6086 -59.857 -74.4656 39 0 1 2401 2 7 6
G-H -45.9149 11.043 -224.021 -258.8929 83 8 1 8216 4 42 43
G-I -177.6791 -182.6612 -513.784 -874.1243 141 28 7 18076 14 44 25
G-K 0.0 17.6871 -86.3446 -68.6575 38 2 1 3509 0 15 16
G-L -10.0006 5.2615 -25.8776 -30.6167 23 1 0 1056 0 7 5
H-I -219.1389 -153.1645 -982.359 -1354.6624 199 52 28 36804 18 100 77
H-J -2.1363 17.1572 -96.2518 -81.2309 40 2 1 3815 0 16 16
H-K -17.3252 -49.6904 -282.377 -349.3926 109 14 7 11693 5 22 32
H-L -6.8839 0.0 -20.1732 -27.0571 25 0 0 992 0 4 6
I-J -8.6503 5.2655 -23.4092 -26.794 23 5 0 1104 0 7 6
I-K -8.1807 0.0 -19.4758 -27.6565 26 1 0 980 0 4 6
I-L -5.1684 0.0 -64.3489 -69.5173 36 2 1 2519 0 8 5
J-K -38.9925 12.7344 -228.137 -254.395 86 8 1 8510 4 42 43
J-L -183.2919 -178.416 -492.302 -854.0099 142 31 7 17882 13 43 26
K-L -232.0104 -153.7972 -995.891 -1381.6986 197 37 29 36918 20 97 76