Table 3 Hydrophobic interactions
WILD PROTEASE | |
|---|---|
GLIDE DOCKED | 1OHR |
Arg 8(B), Leu 23(B), Gly 27(B), Asp 25 (A)(B), Ala 28 (A)(B), Asp 29(A)(B), Asp 30 (A)(B), Val 32(A), Ile 47(A), Gly 48(B), Ile 50 (B), Val 82(B), Ile 84(B) | Leu 23(B), Gly 27(B), Ala 28 (A), Asp 29(A), Val 32(B), Ile 47(B), Gly 48(B), Gly 49(B), Ile 50 (A)(B), Val 82(A)(B), Pro 81(A)(B), Ile 84(A)(B) |
DBM | |
GLIDE DOCKED | After MD Simulation |
Arg 8(A)(B), Ala 28(A)(B), Asp 30(B), Val 32(B), Ile 47(A), Gly 48(B), Gly 29(B), Ile 50 (A)(B), Pro 81(A), Val 82(A), Ile 84(A) | Arg 8(A), Leu 23(A)(B), Gly 27(A), Ala 28 (A)(B), Asp 29(B), Asp 30(B), Gly 48(B), Ile 49(B), Ile 50(A), Ile 54(B), Thr 80(B), Phe 81(B), Ile 84(A)(B) |
TPM | |
GLIDE DOCKED | After MD Simulation |
Gly 27(B), Asp 25(B), Ala 28 (B), Asp 29(B), Asp 30(B), Val 32(B), Ile 47(B), Gly 49(A)(B), Ile 50 (B), Thr 80(A), Val 81(A)(B), Ile 84(A)(B) | Leu 23(A), Gly 27(A)(B), Asp 25(B), Ala 28 (A)(B), Val 32(B), Gly 48(B), Val 82(B), Pro 81(A), Ile 84(A) |