3M4E
crystal structure of the m113n mutant of alpha-hemolysin bound to beta-cyclodextrin
Total interactions analyzed 21
Total true interactions 17
Strongest Interaction Chains E-F
Int. Res. 257
Norm. En. per Res. -4.9344
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 -314.6581 -89.5156 -789.317 -1193.4907 260 56 13 30418 7 74 79
A-C -15.2652 5.1059 -28.1173 -38.2766 28 1 0 1240 0 4 3
A-D 0.0 0.0 -0.0506 -0.0506 2 0 0 12 0 0 0
A-F -14.8686 5.1393 -34.4698 -44.1991 30 2 0 1319 0 6 3
A-G -339.3235 -99.0526 -815.202 -1253.5781 258 74 13 30883 9 74 80
B-C -309.4533 -81.3334 -781.439 -1172.2257 256 72 13 30824 6 74 81
B-D -14.1166 4.7434 -32.6329 -42.0061 33 1 0 1309 0 6 3
B-G -12.7424 4.8914 -31.7297 -39.5807 30 2 0 1329 0 6 3
C-D -314.2028 -99.788 -770.848 -1184.8388 262 69 14 30798 8 74 81
C-E -13.343 4.8827 -28.4996 -36.9599 30 2 0 1192 0 6 3
C-G 0.0 0.0 -0.0397 -0.0397 2 0 0 10 0 0 0
D-E -346.9931 -90.727 -798.069 -1235.7891 254 63 13 30710 8 73 80
D-F -13.8604 4.427 -30.9322 -40.3656 29 2 0 1157 0 4 3
D-G 0.0 0.0 -0.0964 -0.0964 2 0 0 16 0 0 0
E-F -372.2665 -89.9514 -805.927 -1268.1449 257 73 14 30800 7 72 80
E-G -18.3662 7.2459 -37.5726 -48.6929 33 2 0 1452 0 5 3
F-G -328.4443 -82.4835 -803.649 -1214.5768 258 76 14 31057 8 73 79