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Table 3 Hydrophobic interactions

From: Structural studies on molecular mechanisms of Nelfinavir resistance caused by non-active site mutation V77I in HIV-1 protease

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)