1RD4
an allosteric inhibitor of lfa-1 bound to its i-domain
Total interactions analyzed 6
Total true interactions 4
Strongest Interaction Chains C-D
Int. Res. 75
Norm. En. per Res. -4.6782
Hub Node B(2)
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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-C 0.0 -2.3927 -21.9468 -24.3395 30 1 0 1284 0 13 14
B-C -4.248 -11.8681 -62.9206 -79.0368 48 0 0 3448 0 35 24
B-D 0.0 1.2477 -2.5894 -1.3417 12 0 0 273 0 18 11
C-D -82.8986 38.0176 -305.983 -350.864 75 21 11 11965 1 16 17