Project name: IGF2 [mutate: LR13A]

Status: done

Started: 2025-08-11 07:28:07
Settings
Chain sequence(s) A: AYRPSETLCGGELVDTLQFVCGDRGFYFSRPASRVSRRSRGIVEECCFRSCDLALLETYCATPAKSE
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues LR13A
Energy difference between WT (input) and mutated protein (by FoldX) 10.7598 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:39)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)
Show buried residues

Minimal score value
-3.1283
Maximal score value
1.5347
Average score
-0.9434
Total score value
-63.2073

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 A A -0.0469
2 Y A 0.1456
3 R A -1.8669
4 P A -1.4225
5 S A -1.7044
6 E A -2.3439
7 T A -1.0496
8 L A -0.7043
9 C A -0.5272
10 G A -0.9814
11 G A -1.4513
12 E A -2.1618
13 R A 0.0000 mutated: LR13A
14 V A -0.7269
15 D A -1.6348
16 T A -0.7065
17 L A 0.0000
18 Q A -1.2142
19 F A 0.7472
20 V A 0.0621
21 C A 0.0000
22 G A -1.4414
23 D A -2.7920
24 R A -3.1283
25 G A -1.1517
26 F A 0.2610
27 Y A 1.5347
28 F A 1.3834
29 S A 0.2248
30 R A -0.6992
31 P A -1.0724
32 A A -1.7065
33 S A -1.5965
34 R A -1.7026
35 V A -0.2656
36 S A -1.2741
37 R A -2.6799
38 R A -3.0175
39 S A -1.8478
40 R A -1.3061
41 G A -0.8216
42 I A 0.0000
43 V A -0.5502
44 E A -1.5057
45 E A 0.0000
46 C A 0.0000
47 C A -0.2550
48 F A 0.4771
49 R A -1.4907
50 S A -1.3327
51 C A 0.0000
52 D A -1.5504
53 L A -0.6482
54 A A -0.5133
55 L A -0.5392
56 L A 0.0000
57 E A -1.4229
58 T A -0.4643
59 Y A 0.0000
60 C A -0.5090
61 A A -0.6085
62 T A -1.0273
63 P A -0.9297
64 A A -1.6615
65 K A -2.6030
66 S A -2.6128
67 E A -2.7730
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018