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. 2021 Jun 10;135:104560. doi: 10.1016/j.compbiomed.2021.104560

Table 4.

List of major interactions observed between EGCG and mutated protein.

Time frame Interaction involved Amino acid involved Distance
0 ns
  • 1.

    Pi-Alkyl

  • 2.

    Conventional H-bond

  • 3.

    Conventional H-bond
  • 1.

    ALA930

  • 2.

    SER929

  • 3.

    GLN926

 4.81 Å
2.07 Å
2.27 Å
5 ns
  • 1.

    Pi-Alkyl

  • 2.

    Carbon-Hydrogen

  • 3.

    Carbon-Hydrogen

  • 4.

    Conventional H-bond

  • 5.

    Conventional H-bond

  • 6.

    Conventional H-bond

  • 7.

    Unfavourable donor-donor
  • 1.

    ALA930

  • 2.

    ALA930

  • 3.

    LYS933

  • 4.

    LYS933

  • 5.

    GLN926

  • 6.

    ASN717

  • 7.

    GLN1701

 4.35 Å
2.73 Å
2.62 Å
2.68 Å
2.76 Å
3.08 Å
2.43 Å
10 ns
  • 1.

    Pi-Alkyl

  • 2.

    Carbon-Hydrogen

  • 3.

    Carbon-Hydrogen

  • 4.

    Conventional H-bond

  • 5.

    Conventional H-bond

  • 6.

    Unfavourable donor-donor
  • 1.

    ALA930

  • 2.

    ALA930

  • 3.

    LYS933

  • 4.

    GLN926

  • 5.

    GLN926

  • 6.

    ASN717

 4.59 Å
2.94 Å
2.86 Å
2.22 Å
2.83 Å
2.22 Å
15 ns
  • 1.

    Pi-Alkyl

  • 2.

    Carbon-Hydrogen

  • 3.

    Conventional H-bond

  • 4.

    Unfavourable donor-donor
  • 1.

    ALA930

  • 2.

    ALA930

  • 3.

    GLN926

  • 4.

    ASN717

 4.66 Å
2.65 Å
2.24 Å
2.89 Å
20 ns
  • 1.

    Pi-Alkyl

  • 2.

    Carbon-Hydrogen

  • 3.

    Conventional H-bond

  • 4.

    Carbon-Hydrogen

  • 5.

    Conventional H-bond
  • 1.

    ALA930

  • 2.

    ALA930

  • 3.

    LYS933

  • 4.

    LYS933

  • 5.

    GLN926

 4.34 Å
2.72 Å
2.59 Å
2.81 Å
2.8 Å