| Table 9:Aurantiamide acetate interaction. | ||||
Polar |
Hydrophobic |
pi-pi |
cation-pi |
other
|
O (2) HIS113 – [3.17] (NE2) |
C (25) LEU41 – [3.71] (CD1) |
C (27) TYR45 – [3.67] (CE2) |
H(2) TRP94 – [3.78] (CZ3) |
C(27) TYR45 – [3.40] (OH) |
O(2) ARG188 – [3.79] (NH1) |
C(27) LEU41 – [3.76] (CD1) |
C(26) TYR45 – [3.53] (CE2) |
C(26) TYR45 – [3.44] (OH) |
|
O(4) ARG188 – [3.41] (NH1,NH2) |
C(27) ALA98 – [3.24] (CB) |
C(17) TRP94 – [3.30] (CD1, CD2, CE2,CG,CZ2) |
C(17) TRP94 – [3.25] (NE1) |
|
C(26) ALA98 – [3.74] (CB) |
C(20) TRP94 – [3.58] (CD1,CG) |
C(20) TRP94 – [3.76] (NE1) |
||
C(17) VAL112 – [3.52] (CG2) |
C(23) TRP94 – [3.84] (CE3) |
C(18) ASP97 – [3.51] (CB,CG,OD1) |
||
C(20) VAL112 – [3.74] (CG2) |
C(18) TRP102 – [3.19] (CE3,CZ3) |
C(13) ASP97 – [3.31] (CG,OD1) |
||
C(4) HIS113 – [3.35] (CE1) |
C(20) TRP102 – [3.73] (CZ3) |
C(11) ASP97 – [3.65] (OD1) |
||
C(9) ILE284 – [3.78] (CG2) |
C(19) HIS281 – [3.75] (CE1) |
C(16) ASP97 – [3.35] (OD1) |
||
C(14) ILE284 – [3.16] (CG2) |
C(26) ASP97 – [3.65] (OD1) |
|||
C(23) ASP97 – [3.02] (OD1) |
||||
O(2) HIS113 – [3.81] (CD2) |
||||
C(4) HIS113 – [3.52] (NE2) |
||||
C(19) SER285 – [3.04] (OG) |
||||
C(15) SER285 – [2.82] (OG) |
||||
C(10) SER285 – [3.86] (OG) |