Table 2.
Mutations predicted to be deleterious to protein stability according to SDM and mCSM
| Sequence ID | Mutation | Strain/Source | Sequence Description | SDM ΔΔG (kJ/mol) | mCSM ΔΔG (kJ/mol) |
|---|---|---|---|---|---|
| Rv0006 | A74S | FLQ | DNA gyrase subunit A gyrA | −2.29 | −1.15 |
| Rv0006 | D94A | FLQ | DNA gyrase subunit A gyrA | 2.04 | −0.79 |
| Rv0006 | G247S | DS,MDR,XDR | DNA gyrase subunit A gyrA | −3.28 | −1.29 |
| Rv0237 | A240V | DS,MDR,XDR | Lipoprotein lpqI | 2.18 | −0.71 |
| Rv0319 | G69D | DS,MDR,XDR | Pyrrolidone-carboxylate peptidase pcp | −1.57 | −2.31 |
| Rv0404 | P478H | DS,MDR,XDR | Fatty-acid-CoA ligase fadD30 | 1.38 | −2.10 |
| Rv0655 | V144A | DS,MDR,XDR | Ribonucleotide transport ATP-binding protein ABC transporter mkl | −1.53 | −2.38 |
| Rv0667 | L456S | DS,MDR,XDR | DNA-directed RNA polymerase beta subunit rpoB | −4.11 | −2.66 |
| Rv0667 | I1112T | XDR | DNA-directed RNA polymerase beta subunit rpoB | −4.53 | −2.43 |
| Rv0721 | A105V | DS,MDR,XDR | 30. ribosomal protein S5 rpsE | 2.18 | −0.25 |
| Rv0790c | F83S | DS,MDR,XDR | Hypothetical protein | −2.20 | −2.66 |
| Rv1001 | T281M | DS,MDR,XDR | Arginine deiminase arcA | 2.39 | −0.31 |
| Rv1039c | A67T | DS,MDR,XDR | PPE family protein | −2.48 | −0.92 |
| Rv1240 | G306R | DS,MDR,XDR | Malate dehydrogenase mdh | 3.41 | −0.97 |
| Rv1276c | Q79E | DS,MDR,XDR | Hypothetical protein | −0.31 | −2.48 |
| Rv1569 | A171G | DS,MDR,XDR | 8.Amino-7-oxononanoate synthase bioF1 | −2.24 | −1.39 |
| Rv1600 | S271A | DS,MDR,XDR | Histidinol-phosphate aminotransferase hisC1 | 2.85 | −0.50 |
| Rv1605 | G145V | DS,MDR,XDR | Cyclase hisF | 2.55 | −0.41 |
| Rv1638 | S908I | DS,MDR,XDR | Excinuclease ABC subunit A (DNA-binding ATPase) uvrA | 3.02 | 0.11 |
| Rv1825 | P181S | DS,MDR,XDR | Hypothetical protein | −0.81 | −2.03 |
| Rv1870c | D123G | DS,MDR,XDR | Hypothetical protein | 2.51 | −0.38 |
| Rv1878 | S296F | DS,MDR,XDR | Glutamine synthetase glnA3 | 3.03 | −0.90 |
| Rv1933c | V196A | MDR,XDR | Acyl-CoA dehydrogenase fadE18 | −2.73 | −2.53 |
| Rv2000 | L275P | XDR | Hypothetical protein | −6.18 | −0.95 |
| Rv2043c | A3P | PZA | Pyrazinamidase/Nicotinamidase PncA (PZase) | −3.35 | −0.51 |
| Rv2043c | Q10P | PZA | Pyrazinamidase/Nicotinamidase PncA (PZase) | −2.32 | −0.49 |
| Rv2043c | C14H | PZA | Pyrazinamidase/Nicotinamidase PncA (PZase) | −4.49 | −1.44 |
| Rv2043c | C14R | PZA | Pyrazinamidase/Nicotinamidase PncA (PZase) | −3.76 | −0.63 |
| Rv2043c | L19P | PZA | Pyrazinamidase/Nicotinamidase PncA (PZase) | −2.48 | −1.46 |
| Rv2043c | V21G | PZA | Pyrazinamidase/Nicotinamidase PncA (PZase) | −4.20 | −1.60 |
| Rv2043c | Y34S | PZA | Pyrazinamidase/Nicotinamidase PncA (PZase) | −2.47 | −2.96 |
| Rv2122c | A88D | DS,MDR,XDR | Phosphoribosyl-ATP pyrophosphohydrolase hisE | −2.70 | −0.82 |
| Rv2161c | G105A | DS,MDR,XDR | Hypothetical protein | 2.23 | −0.47 |
| Rv2197c | P112S | DS,MDR,XDR | Conserved transmembrane protein | 2.77 | −0.56 |
| Rv2250c | A119T | DS,MDR,XDR | Hypothetical transcriptional regulatory protein | −2.02 | −0.68 |
| Rv2464c | A99T | DS,MDR,XDR | Hypothetical DNA glycosylase | −2.84 | −1.35 |
| Rv2886c | V153A | DS,MDR,XDR | Hypothetical resolvase | −2.73 | −2.48 |
| Rv2887 | S2G | DS,MDR,XDR | Hypothetical transcriptional regulatory protein | 2.58 | −0.24 |
| Rv3032 | Q310L | DS,MDR,XDR | Hypothetical transferase | 3.07 | −0.33 |
| Rv3174 | L42R | DS,MDR,XDR | Hypothetical short-chain type dehydrogenase/reductase | −2.32 | −1.56 |
| Rv3545c | I359T | DS,MDR,XDR | Cytochrome P450 125 cyp125 | −2.20 | −2.79 |
| Rv3591c | F30S | DS,MDR,XDR | Hypothetical hydrolase | −3.05 | −1.96 |
| Rv3606c | L172P | DS,MDR,XDR | 2.Amino-4-hydroxy-6- hydroxymethyldihydropteridine pyrophosphokinase folk | −2.74 | −1.45 |
| Rv3719 | R310T | DS,MDR,XDR | Hypothetical protein | −2.20 | −1.80 |
DS (Drug Sensitive), MDR (Multiple Drug Resistant) and XDR (eXtensively Drug Resistance) refer to the KwaZulu-Natal strains sequenced by the Broad Institute, with residue numbers given relative to the F11 reference strain. PZA and FLQ indicate to various high-confidence pyrazinamide or fluoroquinone resistant strains, respectively, as identified on TBDreaMDB, with residue numbers relative to the H37Rv strain