Table 1.

Target Panel of HIV‐I Protease Structures

Index	Protease sequencea	Bound ligand	Drug resistanceb	PDB code
Wild types
1	Reference wild type	Darunavir	None	1T3R29
2	R14K, L33I, N37S, K41R, P63I, V64I, C67A, C95A	Darunavir	None	2IEN30
3	V64I	MIT‐2‐AD‐93	None	2QI422
4	V64I	MIT‐2‐KC‐08	None	2QI522
Multi‐drug resistance mutants
5	R14K, L33I, N37S, K41R, I50V, P63I, V64I, C67A, C95A	Darunavir	Darunavir, amprenavir, lopinavir	2F8G31
6	R14K, L33I, N37S, K41R, P63I, V64I, C67A, I84V, C95A	Darunavir	Atazanavir, darunavir, amprenavir, indinavir, lopinavir, nelfinavir, saquinavir, tipranavir	2IEO30
7	K41R, V64I, V82T, I84V (ACT)	Darunavir	Atazanavir, darunavir, amprenavir, indinavir, lopinavir, nelfinavir, saquinavir, tipranavir33	1T7I29
8	R14K, L33I, N37S, K41R, G48V, P63I, V64I, C67A, C95A	Darunavir	Atazanavir, lopinavir, nelfinavir, saquinavir	3CYW32
9	R14K, L33I, N37S, K41R, I54V, P63I, V64I, C67A, C95A	Darunavir	Atazanavir, amprenavir, indinavir, lopinavir, nelfinavir, saquinavir, tipranavir	3D2032
10	R14K, L33I, N37S, K41R, P63I, V64I, C67A, V82A, C95A	Darunavir	Atazanavir, amprenavir, indinavir, lopinavir, nelfinavir, saquinavir	2IDW30
11	R14K, L33I, N37S, K41R, P63I, V64I, C67A, L90M, C95A	Darunavir	Atazanavir, amprenavir, indinavir, lopinavir, nelfinavir, saquinavir	2F8131
12	L10I, G48V, I54V, V64I, V82A (M1)	Darunavir	Atazanavir, indinavir, lopinavir, nelfinavir, saquinavir, tipranavir26	3EKT33
Signature drug‐resistance mutants
13	R14K, D30N, L33I, N37S, K41R, P63I, V64I, C67A, C95A	Darunavir	Nelfinavir	2F8031
14	I50L, A71V (M4)	Darunavir	Atazanavir	3EM634

^aMutant sequences are defined as relative to the wild‐type sequence for PDB entry 1T3R. Marked in bold fonts are major resistance mutations defined in an HIV drug resistance database from Stanford (http://hivdb.stanford.edu/DR/PIResiNote.html).

^bDrug resistance profiles, unless provided with references elsewhere, are taken from the Stanford database.