Table 3.
Residues with high average BC values (A) and low average L (B) in both apo and ligand-bound systems. Residue numbering based on the catalytic domain length indicated in Table S1. Bold red shows cluster of residues with high BC values in both human and plasmodial proteins while bold black those only in plasmodial proteases.
| Protein | Residues |
|---|---|
| (A) Average BC | |
| FP-2 | W24, T31, C42-Y55, S66, Q68, V71, N86, F89, E90, I93, K126, P132, R141, G144-S149, A151, S153, A175-M183, K196-W206, N217, E219, D221, I237, P238 |
| FP-3 | W26, T33, C44-Y57, S68, Q70, V73, T88, F91, D92, I95, K128, I133, L142, R143, P147, S149-S151, A176-G182, G184, K186, K198-W208, N219, E221, D223, Y227, V239, P240 |
| VP-2 | W25, T32, C43-Y56, S67, Q69, V71, P87, F90, E91, I94, I126, I132, I141, R142, G145-S150, A176-E185, K197-W207, R218, E220, D222, Y226, V238, A239 |
| VP-3 | W24, T31, C42-Y55, S66, Q68, V71, P86, F89, E90, L93, I125, I131, I140, K141, G144-S149, A175-E184, K196-W206, K217, Q219, Y223, V237, A238 |
| KP-2 | W25, T32, C43-Y56, S67, Q69, V72, P87, F90, E91, I94, E131, I141, K142, G145-S150, A176-E185, K197-W207, K218, Q220, V238, A239 |
| KP-3 | W23, T30, C41-Y54, S65, Q67, V70, P85, I88, E89, I92, E129, V139, R140, G143-N148, A174-E184, K195-W205, R216, E218, D220, V237, L238 |
| BP-2 | W25, I32, C43-Y56, S67, Q69, V72, P87, F90, E91, S127, P133, Q142, G145-V151, A176-V184, K197-W207, R218, K220, N222, A237, P238 |
| CP-2 | W25, I32, C43-Y56, S67, Q69, V72, P87, F90, E91, I127, P133, Q142, G145-V151, A176-V184, D197-W207, R218, K220, D222, V237, P238 |
| YP-2 | W25, I32, C43-Y56, S67, Q69, V72, P87, F90, E91, S127, P133, Q142, G145-V151, A176-V184, K197-W207, R218, K220, N222, A237, P238 |
| Cat-K | C25-E35, N52, Y67, N70, A124, G129-S132, A134, N161-A166, K176-W184, Y192 |
| Cat-L | C26-E36, Q52, V55, D72, F75, Q76, A128, S133-D138, G140, G165-G170, K182-W190, Y199 |
| Cat-S | C25-E35, Q51, V54, T72, F75, Q76, A129, S135-D139, R141, G165-170, Y179-186, R197 |
| (B) Average L | |
| FP-2 | S47, I48, S50, V51, I146-S149, M177-G180, K203 |
| FP-3 | S49, V50, S52, V53, I148-S151, I179-G181, K205 |
| VP-2 | T48, V49, V51, V52, P146-V149, V177-V180, K204 |
| VP-3 | T47, V48, V50, V51, I146-S149, I177-G180, K203 |
| KP-2 | T48, V49, V51, V52, I147-S150, I178-G181, R204 |
| KP-3 | T46, V47, V49, V50, I145-N148, I176-G179, K202 |
| BP-2 | T48, A49, V51, V52, I147-A150, M178-G181, R204 |
| CP-2 | T48, A49, V51, I52, L147-A150, I178-G181, R204 |
| YP-2 | T48, A49, V51, V52, I147-A150, M178-G181, R204 |
| Cat-K | A27, F28, V131, V164 |
| Cat-L | A31, T32, V135, V168 |
| Cat-S | A30, V31, V136, V168 |