Table 15: Ferulic acid interaction.

Polar

Hydrophobic

pi-pi

Cation-pi

Other

O4 (4)     TRP94

C10 (14)      TRP94

C1 (5)     TRP94

H1 (15)       HIS113

O4 (4)         PHE93

            –

                 –

              –

                –

               –

[3.75]     (NE1)

[3.58]           (CD1, CG)

[3.68]      (CH2, CZ2)

[3.62]          (CD2)

[3.23]          (CB)

O3 (3)    ASP97

 C8 (12)       TRP94

C4 (8)       TRP94

H1 (15)       TYR116

O4 (4)        TRP94

             –

                 –

              –

                –

               –

[3.37]    (OD1)

 [3.59]         (CD1,CE2)

[3.51]        (CZ2)

[3.72]         (CD2,CE2)

[3.29]         (CD1, CG)

O1 (1)     HIS113

C7 (11)        TRP94

C5 (9)        HIS113

 

C8 (12)       TRP94

              –

                –

             –

                –

[3.74]       (NE2)

[3.74]          (CE2,CZ2)

 [3.05]       (CD2,CG)

[3.50]          (NE1)

O2 (2)     ARG188

C10 (14)      TRP102

C6 (10)       HIS113

 

C10 (14)      TRP94

             –

                 –

                –

                  –

 [3.59]    (CZ, NH1,NH2)

[3.57]          (CZ3)

[3.27]         (CD2,CG)

[3.83]            (NE1)

H1 (15)     ARG188

C8 (12)      VAL112

C2 (6)        HIS113

 

O3 (3)       ASP97

               –

                –

               –

               –

[2.99]       (CZ, NH1,NH2)

[3.31]        (CG2)

[3.51]        (CD2)

[3.53]       (CB, CG)

O1 (1)      ARG188

C10 (14)    VAL112

C4 (8)      HIS113

 

O3 (3)      TRP102

              –

                  –

             –

              –

[3.18]       (NH1)

[3.77]         (CG2)

[3.88]     (CD2)

[3.62]       (CZ3)

 

 

C1 (5)      HIS113

 

O4 (4)       TRP102

             –

               –

[3.89]      (CE1)

 [3.34]       (CH2,CZ3)

 

 

C6 (10)    TYR116

 

O4 (4)       VAL112

              –

               –

[3.32]      (CB, CD2,CG)

[3.52]        (CB, CG2)

 

 

C5 (9)       TYR116

 

O2 (2)        HIS113

              –

               –

[3.60]      (CD2)

[3.26]        (CD2)

 

 

 

 

C1 (5)         HIS113

               –

[3.86]         (NE2)

 

 

 

 

C2 (6)         HIS113

               –

[3.27]         (NE2)

 

 

 

 

C3 (7)          HIS113

                –

[3.51]          (NE2)

 

 

 

 

C5 (9)          HIS113

                –

[3.36]          (NE2)

 

 

 

 

C6 (10)         HIS113

                 –

[3.71]          (NE2)

 

 

 

 

C9 (13)         HIS113

                  –

[3.81]           (NE2)

 

 

 

 

O2 (2)        TYR116

[3.12]       (CD2,CE2, CG)

 

 

 

 

C9 (13)      ASP187

[3.79]        (OD1)

 

 

 

 

C9 (13)       ARG188

[3.23]        (NH1)