Table 2.
Protein residues having high normalized Betweenness Centrality (BC) values in holo WT and three mutant systems across the triplicate runs; + sign indicate significant high values. Active site residues are shown in bold. The * and # suffixes indicate common residues across 3 runs and 3 runs, respectively. (A threshold value of ± 2 standard deviations (SD) of the BC values was used for each system.
| Betweenness Centrality (BC); Significant Residues | ||||
|---|---|---|---|---|
| Protein Systems | RUN_1 | RUN_2 | RUN_3 | |
| WT | + |
PfCytb Chain: Ser_83, Ile_93, Ala_122, Phe_123 *, Ile_141, Asn_143, Trp_262 #, Leu_265, Tyr_268, Lys_272, Leu_290, Leu_291 ISP Chain: Gly_297, Ile_298, His_301 *, Leu_302, His_320 #, Ser_322, Ile_330 |
PfCytb Chain: Val_85, Thr_89, Met_102, Phe_115, Phe_118, Ile_119, Ala_122, Val_124, Ile_258, Val_259 *, Trp_262 #, Phe_264 *, Leu_265, Lys_272, Leu_291 ISP Chain: Gly_297, Ile_298, Gly_303, His_320 #, Ser_322, Ile_330 |
PfCytb Chain: Ser_83, Val_85, Phe_86, Thr_89, Leu_94, Phe_118, Ala_122, Phe_123 *, Thr_139, Ile_141, Val_259 *, Trp_262 #, Phe_264 *, Leu_265, Leu_271, Lys_272, Lys_277, Leu_290, Leu_294 ISP Chain: Gly_297, Ile_298, His_301 *, Val_305, His_320 #, Ser_322, Ile_330 |
| Y268C | + |
PfCytb Chain: Thr_80, Val_85, Phe_86, Thr_89, Leu_112, Phe_118, Ala_122, Phe_123, Ser_134, Thr_139, Ile_141, Thr_160, Val_161, Glu_261, Trp_262, Leu_265, Cys_268 *, Leu_271 #, Lys_272 ISP Chain: Lys_252, Cys_304, His_320, Ser_322 |
PfCytb Chain: Val_85, Phe_86, Thr_89, Ile_117, Phe_118, Val_120, Ala_122, Phe_123, Ala_138, Thr_139, Val_140, Ile_141, Tyr_263 *, Phe_264 *, Met_270, Leu_271#, Lys_272, Leu_281, Leu_290, Ile_320 ISP Chain: Gly_297, Ile_298, Gly_303, Cys_304, His_320, Ser_322, Ile_330 |
PfCytb Chain: Val_85, Phe_86, Thr_89, Leu_112, Phe_118, Thr_121, Val_124, Thr_160, Thr_165, Ile_258, Pro_260, Glu_261, Tyr_263 *, Phe_264 *, Cys_268 *, Leu_271 #, Lys_272, Lys_277, Ile_349 ISP Chain: Lys_252, His_301, Leu_302, His_320, Ser_322 |
| Y268N | + |
PfCytb Chain: Val_85, Phe_86, Thr_89, Ile_93, Val_124, Phe_169, Ser_241, His_242, Thr_254, Tyr_263 #, Phe_264 #, Asn_268 #, Lys_272, Lys_277, Leu_288, Leu_291 ISP Chain: Gly_297, Ile_298, His_301 *, Leu_302, Gly_303, His_320 #, Ser_322, Ile_330 |
PfCytb Chain: Val_85, Phe_86, Thr_89, Leu_112, Ile_117, Phe_118, Ile_119, Gly_137, Thr_160, Leu_172, Leu_176, His_242, Thr_254, Pro_260 *, Glu_261 *, Tyr_263 #, Phe_264 #, Asn_268 #, Lys_272, ISP Chain: Cys_299 *, Gly_303, His_320 #, Ser_322, Ile_330, Pro_334 |
PfCytb Chain: Ser_83, Val_85, Phe_86, Leu_112, Ile_117, Met_133, Thr_139, Leu_172, Leu_176, Pro_260 *, Glu_261 *, Tyr_263 #, Phe_264 #, Asn_268 #, Leu_271, Lys_272, Lys_277, Leu_288, Leu_291 ISP Chain: Gly_297, Ile_298, Cys_299 *, His_301 *, Gly_303, His_320 #, Ser_322, Pro_334 |
| Y268S | + |
PfCytb Chain: Ile_35, Val_85, Phe_86, Thr_89, Trp_108, Ile_117, Val_120, Phe_123, Val_140, Ile_141, Thr_142, Leu_145, Thr_160, Val_259, Pro_260, Glu_261, Leu_265, Leu_271 ISP Chain: Lys_252, Ile_298, Cys_304, Pro_318, His_320 #, Ser_322, His_323 |
PfCytb Chain: Leu_31, Val_85, Phe_86, Thr_89, Leu_112, Ile_117, Phe_118, Thr_121, Ala_122, Phe_123, Val_124, Val_127, Trp_136, Gly_137, Thr_160, Ser_241, Tyr_263 *, Phe_264 *, Lys_272, Ile_320 ISP Chain: Gly_297, Ile_298, Val_305, Ala_307, His_320 #, Ser_322, Ile_330 |
PfCytb Chain: Ser_83, Phe_86, Thr_89, Arg_95, Phe_118, Thr_121, Ala_138, Thr_139, Val_140, Ile_141, Phe_169, Tyr_263 *, Phe_264 *, Ser_268, Lys_272, Ile_349 ISP Chain: Ile_298, Cys_299, Cys_304, Val_305, His_320#, Gly_321, Ser_322, Ile_330, Pro_334 |