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Table 11:Isoquercetin interaction. | ||||||
Hydrogen bonds |
Polar |
Hydrophobic |
pi-pi |
cation-pi |
other
| |
O (10) TYR255 – [2.79] (CE1, CZ, OH) |
H (3) TYR45 – [3.87] (OH) |
C (13) ILE284 – [3.72] (CG2) |
C (20) TRP94 – [3.66] (CH2, CZ2) |
HIS113 (CB, H8 () – CD2,[3.08] CE1,CG) |
O (5) LEU41 – [3.86] (CD1) |
|
O (8) SER285 – [3.07] (OG) |
O (1) ASP97 – [3.35] (OD1) |
C (17) ILE284 – [3.05] (CG2) |
C (16) TRP94 – [3.36] (CH2,CZ2) |
H (6) TYR255 – [2.95] (CE1,CZ) |
O (6) ASP97 – [3.48] (CG) |
|
O (9) SER285 – [2.96] (CB,OG) |
O (6) ASP97 – [3.06] (OD1,OD2) |
C (8) TRP94 – [3.87] (CZ3) |
H (4) ASP97 – [2.59] (CG) |
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H (4) ASP97 – [2.24] (OD1,OD2) |
C (12) TRP94 – [3.60] (CH2,CZ3) |
C (4) ASP97 – [3.47] (OD1) |
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H (2) ASP97 – [3.85] (OD1) |
C (20) HIS113 – [3.85] (CD2) |
C (2) ASP97 – [3.06] (OD1) |
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O (12) HIS113 – [3.22] (ND1,NE2) |
C (21) HIS113 – [3.57] (CE1) |
C (1) ASP97 – [3.88] (OD1) |
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H (8) HIS113 – [2.92] (ND1,NE2) |
C (3) ASP97 – [3.84] (OD1) |
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H (2) ARG183 – [3.38] (CZ,NH1,NH2) |
C (6) ASP97 – [3.49] (OD1) |
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O (6) ARG183 – [3.64] (NH1) |
O (3) ALA98 – [3.85] (CB) |
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H (4) ARG183 – [3.43] (NH1) |
H (7) VAL112 – [3.63] (CG2) |
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H (6) TYR255 – [2.20] (OH) |
O (12) VAL112 – [3.15] (CG2) |
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H (3) SER285 – [3.57] (OG) |
H (8) VAL112 – [3.34] (CG2) |
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H (5) SER285 – [2.30] (OG) |
(12) HIS113 – [3.22] (CE1,CG) |
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O (7) – GLU288 |
C (21) – HIS113 |
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[3.61] (OE1) |
[3.67] (NE2) |
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O (8) GLU288 – [3.74] (OE2) |
C (20) HIS113 – [3.70] (NE2) |
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H (5) GLU288 – [3.62] (OE2) |
H (2) ILE185 – [3.70] (CD1) |
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C (18) TYR255 – [3.69] (OH) |
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O (10) ILE259 – [3.81] (CD1) |
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H (6) ILE259 – [3.13] (CD1) |
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O (9) ILE284 – [3.43] (CG2) |
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H (6) ILE284 – [3.73] (CG2) |
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H (5) SER285 – [3.22] (CB) |
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C (10) GLU288 – [3.10] (CD,OE2) |
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C (11) GLU288 – [3.43] (CD,OE1,OE2) |
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C (14) GLU288 – [3.52] (OE1) |
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C (7) GLU288 – [3.86] (OE2) |
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C (9) GLU288 – [3.32] (OE2) |
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C (13) GLU288 – [3.47] (OE2) |