Table 3 DUET, mCSM, and SDM stability scores of BCL-w variants by using PDB format as input
From: In silico mutational analysis to identify the role and pathogenicity of BCL-w missense variants
S.No | Variants | SDM (ΔΔG value in Kcal/mol) | DUET (ΔΔG value in Kcal/mol) | mCSM (ΔΔG value in Kcal/mol) |
|---|---|---|---|---|
1 | A158V | − 0.24 Destabilizing | 0.108 Stabilizing | − 0.245 Destabilizing |
2 | G153W | − 0.28 Destabilizing | − 1.013 Destabilizing | − 1.167 Destabilizing |
3 | R160H | 0.05 Stabilizing | − 1.148 Destabilizing | − 1.305 Destabilizing |
4 | E145K | − 0.46 Destabilizing | − 0.072 Destabilizing | − 0.372 Destabilizing |
8 | S168P | 0.09 Stabilizing | − 0.073 Destabilizing | − 0.247 Destabilizing |
9 | A158P | − 3.0 Destabilizing | − 0.587 Destabilizing | − 0.245 Destabilizing |
10 | A6T | − 0.31 Destabilizing | − 0.333 Destabilizing | − 0.623 Destabilizing |
11 | A6G | − 0.24 Destabilizing | − 0.121 Destabilizing | − 0.385 Destabilizing |
12 | A6V | − 0.21 Destabilizing | − 0.255 Destabilizing | − 0.519 Destabilizing |
13 | P7L | − 0.32 Destabilizing | − 0.043 Destabilizing | − 0.308 Destabilizing |
14 | A14T | − 1.97 Destabilizing | − 0.734 Destabilizing | − 0.735 Destabilizing |
15 | D15H | 0.35 Stabilizing | − 0.281 Destabilizing | − 0.546 Destabilizing |
16 | R22K | − 0.26 Destabilizing | − 0.78 Destabilizing | − 1.064 Destabilizing |
17 | G33W | 0.04 Stabilizing | − 0.977 Destabilizing | − 1.242 Destabilizing |
18 | M45T | − 1.8 Destabilizing | − 1.22 Destabilizing | − 1.375 Destabilizing |
19 | M45I | − 0.03 Destabilizing | − 0.273 Destabilizing | − 0.784 Destabilizing |
20 | R46Q | − 0.17 Destabilizing | − 0.262 Destabilizing | − 0.522 Destabilizing |
21 | G49R | − 0.76 Destabilizing | − 0.694 Destabilizing | − 0.91 Destabilizing |
22 | G49V | 0.47 Stabilizing | 1.008 Stabilizing | 0.49 Stabilizing |
23 | E53K | − 0.46 Destabilizing | − 0.166 Destabilizing | − 0.46 Destabilizing |
24 | F56S | − 3.23 Destabilizing | − 2.492 Destabilizing | − 2.231 Destabilizing |
25 | R57Q | − 0.44 Destabilizing | 0.044 Stabilizing | − 0.059 Destabilizing |
26 | R58C | − 0.27 Destabilizing | − 0.319 Destabilizing | − 0.239 Destabilizing |
27 | R58H | 0.29 Stabilizing | − 0.778 Destabilizing | − 0.833 Destabilizing |
28 | S61F | 0.8 Stabilizing | − 0.651 Destabilizing | − 1.042 Destabilizing |
29 | A65D | − 0.94 Destabilizing | − 1.004 Destabilizing | − 1.205 Destabilizing |
30 | P71T | − 0.38 Destabilizing | − 0.346 Destabilizing | − 0.623 Destabilizing |
31 | S73L | 1.24 Stabilizing | 0.383 Stabilizing | − 0.146 Destabilizing |
32 | Q75K | 0.17 Stabilizing | 0.431 Stabilizing | − 0.054 Destabilizing |
33 | R77H | − 0.22 Destabilizing | − 1.464 Destabilizing | − 1.529 Destabilizing |
34 | S82F | 0.64 Destabilizing | − 0.253 Destabilizing | − 0.543 Destabilizing |
35 | D83N | 0.31 Stabilizing | − 0.637 Destabilizing | − 0.989 Destabilizing |
36 | N91Y | 0.35 Stabilizing | − 0.403 Destabilizing | − 0.546 Destabilizing |
37 | R94S | − 3.2 Destabilizing | − 2.82 Destabilizing | − 2.249 Destabilizing |
38 | R94H | − 0.82 Destabilizing | − 2.229 Destabilizing | − 2.091 Destabilizing |
39 | S109R | 0.1 Stabilizing | − 0.313 Destabilizing | − 0.78 Destabilizing |
40 | V110I | 0.36 Stabilizing | − 0.313 Destabilizing | − 0.78 Destabilizing |
41 | V126M | − 0.11 Destabilizing | − 0.015 Destabilizing | − 0.239 Destabilizing |
42 | A127V | − 1.03 Destabilizing | − 0.25 Destabilizing | − 0.395 Destabilizing |
43 | E130G | − 1.53 Destabilizing | − 0.956 Destabilizing | − 0.802 Destabilizing |
44 | Q132R | – | – | – |
45 | A134V | − 0.97 Destabilizing | − 0.359 Destabilizing | − 0.51 Destabilizing |
46 | S139C | 0.71 Stabilizing | 0.227 Stabilizing | − 0.225 Destabilizing |
47 | S140I | 2.13 Stabilizing | 0.382 Stabilizing | − 0.467 Destabilizing |
48 | G141E | − 2.58 Destabilizing | − 0.705 Destabilizing | − 0.463 Destabilizing |
49 | G151R | 0.14 Stabilizing | − 0.177 Destabilizing | − 0.607 Destabilizing |
50 | R159W | 0.59 Stabilizing | − 0.531 Destabilizing | − 0.736 Destabilizing |
51 | R160L | − 0.08 Destabilizing | 0.142 Stabilizing | − 0.022 Destabilizing |
52 | R162W | 0.63 Stabilizing | − 0.757 Destabilizing | − 1.082 Destabilizing |
53 | R170M | 0.14 Stabilizing | − 0.186 Destabilizing | − 0.073 Destabilizing |
54 | V185A | – | – | – |
55 | A187P | – | – | – |