Page 109 - TD-3-4

Tumor Discovery Bioinformatics insights into CCL2 mutations

Table 2. Prediction of protein stability using in silico tools
Protein stability prediction
Serial number Mutants SDM mCSM DUET
ΔΔGkcal/mol Prediction ΔΔGkcal/mol Prediction ΔΔGkcal/mol Prediction
1 M1L 0 Destabilizing −0.528 Destabilizing −0.079 Destabilizing
2 K2E −0.08 Destabilizing 0.15 Stabilizing 0.411 Stabilizing
3 K2T −0.39 Destabilizing −0.419 Destabilizing −0.251 Destabilizing
4 K2R −0.24 Destabilizing −0.297 Destabilizing −0.066 Destabilizing
5 V3I 0.11 Stabilizing −0.864 Destabilizing −0.547 Destabilizing
6 V3G −0.38 Destabilizing −1.907 Destabilizing −1.798 Destabilizing
7 S4F 0.58 Stabilizing −1.339 Destabilizing −1.047 Destabilizing
8 A5V −0.18 Destabilizing −0.527 Destabilizing −0.257 Destabilizing
9 A5T −0.37 Destabilizing −1.443 Destabilizing −1.2 Destabilizing
10 I13T −0.96 Destabilizing −1.451 Destabilizing −1.33 Destabilizing
11 I13V −0.1 Destabilizing −1.056 Destabilizing −0.804 Destabilizing
12 A14E −0.13 Destabilizing −2.421 Destabilizing −2.148 Destabilizing
13 A15P −1.96 Destabilizing −0.606 Destabilizing −0.767 Destabilizing
14 T16S −0.78 Destabilizing −1.357 Destabilizing −1.302 Destabilizing
15 I18N −1.39 Destabilizing −2.458 Destabilizing −2.435 Destabilizing
16 I18T −2.02 Destabilizing −2.715 Destabilizing −2.85 Destabilizing
17 P19L 1.29 Stabilizing −0.789 Destabilizing −0.197 Destabilizing
18 P19Q −0.23 Destabilizing −0.973 Destabilizing −0.68 Destabilizing
19 Q20R 0.56 Stabilizing 0.009 Stabilizing 0.357 Stabilizing
20 A23T −0.81 Destabilizing −1.028 Destabilizing −0.853 Destabilizing
21 A23S −1.39 Destabilizing −0.951 Destabilizing −0.886 Destabilizing
22 A27G −2.55 Destabilizing −1.264 Destabilizing −1.617 Destabilizing
23 A27V −1.46 Destabilizing −0.774 Destabilizing −0.831 Destabilizing
24 N29K 0.44 Stabilizing 0.144 Stabilizing 0.606 Stabilizing
25 P31A −0.2 Destabilizing −0.91 Destabilizing −0.671 Destabilizing
26 Y36C 0.09 Stabilizing 0.42 Stabilizing 0.633 Stabilizing
27 N37D 0.15 Stabilizing 0.276 Stabilizing 0.634 Stabilizing
28 T39I 1.33 Stabilizing −0.053 Destabilizing 0.493 Stabilizing
29 T39A 1.34 Stabilizing −0.876 Destabilizing −0.322 Destabilizing
30 N40D −0.38 Destabilizing 0.119 Stabilizing 0.347 Stabilizing
31 N40K −0.2 Destabilizing 0.131 Stabilizing 0.451 Stabilizing
32 R41K −0.19 Destabilizing −0.038 Destabilizing 0.192 Stabilizing
33 K42I 0.47 Stabilizing 0.158 Stabilizing 0.452 Stabilizing
34 S44L 1.24 Stabilizing 0.062 Stabilizing 0.585 Stabilizing
35 V45M −0.26 Destabilizing −0.396 Destabilizing −0.295 Destabilizing
36 V45A 0.19 Destabilizing −0.971 Stabilizing −0.641 Destabilizing
37 R47K −0.1 Destabilizing −0.316 Destabilizing −0.058 Destabilizing
38 L48F −0.66 Destabilizing −1.439 Destabilizing −1.493 Destabilizing
39 A49E 0.72 Stabilizing −0.528 Destabilizing 0.007 Stabilizing
40 A49V 1.41 Stabilizing −0.416 Destabilizing 0.201 Stabilizing
41 A49T 0.29 Stabilizing −0.942 Destabilizing −0.546 Destabilizing
(Cont’d...)

Volume 3 Issue 4 (2024) 11 doi: 10.36922/td.3891