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. Author manuscript; available in PMC: 2009 May 15.
Published in final edited form as: Proteins. 2008 May 15;71(3):1163–1174. doi: 10.1002/prot.21808

Table II.

The Predictions of Drug Resistance Based on the Predicted FV Values

Resistance
Position Experimental Ki (mut)/Ki (wt) FV Experiment (prediction) Accuracy
Saquinavir
 V32 1.6-7.3 (V32I)50 -0.1 ± 0.0 N (N) 75%
 M46 1.0 (M46I)51 +2.6 ± 0.4 N (N)
 I47 1.0 (I47V)51 +5.1 ± 0.3 N (N)
 G48 13.5 (G48V)52 163.6 (G48V)53 +8.0 ± 1.3 Y (N)
 I50 21.0 (I50V)51 +0.6 ± 0.1 Y (N)
 V82 0.7-3.7 (V82A/F/I)50 3.3-7.3 (V82F/A/I)54 -0.1 ± 0.3 N (N)
 I84 5.8 (I84V)50 10.7 (I84V)54 12.0 (I84V)51 -0.4 ± 0.0 N (N)
 L90 3.0 (L90M)52, 55 20.7 (L90M)53 -0.0 ± 0.1 N (N)
Amprenavir
 M46 1.0 (M46I)51 +2.5 ± 0.3 N (N) 100%
 I47 1.0 (I47V)51 +4.0 ± 0.2 N (N)
 G48 3.5 (G48V)53 +13.4 ± 1.3 N (N)
 I50 83.0 (I50V)51 -1.1 ± 0.6 Y (Y)
 V82 0.4-3.3 (V82A/F/I)54 +0.0 ± 0.1 N (N)
 I84 23.0 (I84V)51 2.7 (I84V)54 -0.7 ± 0.1 Y (Y)
 L90 2.7 (L90M)53 -0.1 ± 0.2 N (N)
Ritonavir
 M46 4.0 (M46I)51 +2.5 ± 0.2 N (N) 86%
 I47 3.0 (I47V)51 +4.2 ± 0.5 N (N)
 G48 66.7 (G48V)53 +9.4 ± 1.9 Y (N)
 I50 10.0 (I50V)51 -0.0 ± 0.4 N (N)
 V82 0.8-14.7 (V82A/F/I)54 -0.1 ± 0.3 N (N)
 I84 11.2 (I84V)54 20.0 (I84V)51 -0.7 ± 0.2 Y (Y)
 L90 6.7 (L90M)53 -0.0 ± 0.0 N (N)
Indinavir
 V32 8.0 (V32I)50 -0.5 ± 0.2 N (Y) 86%
 M46 4.3 (M46I)50 +2.6 ± 0.6 N (N)
 I47 3.0 (I47V)51 +4.4 ± 2.3 N (N)
 G48 6.3 (G48V)53 +11.3 ± 1.8 N (N)
 V82 0.6-6.4 (V82A/F/I)54 6.9-84.7 (V82A/F/I)50 -0.6 ± 0.2 Y (Y)
 I84 2.6 (I84V)54 10.0 (I84V)50 -0.4 ± 0.3 N (N)
 L90 5.8 (L90M)53 -0.0 ± 0.3 N (N)
Nelfinavir
 G48 1.0 (G48V)53 +13.0 ± 0.1 N (N) 100%
 V82 0.8-17.5 (V82F/A/I)54 +0.5 ± 0.5 N (N)
 I84 3.5 (I84V)54 -0.4 ± 0.2 N (N)
 L90 3.5 (L90M)53 -0.0 ± 0.5 N (N)