Project name: f7e45835d8237b6

Status: done

Started: 2026-06-12 14:23:12
Chain sequence(s) H: EVQLVESGGGVVQPGGSLKLSCVASGTDFSINFIRWYRQAPGKQREFVAGFTATGNTNYADSMKGRFTISRDNTKNAVYLQIDSLKPEDTAVYYCYMLDKWGQGTQVTVSS
input PDB
Selected Chain(s) H
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode No
Automated mutations Yes
Downloads Download all the data
Simulation log 
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:03)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:03:33)
[INFO]       AutoMutEv:Residue number 33 from chain H and a score of 2.381 omitted from automated  
                       mutation (excluded by the user).                                            (00:03:35)
[INFO]       AutoMutEv:Residue number 31 from chain H and a score of 1.821 omitted from automated  
                       mutation (excluded by the user).                                            (00:03:35)
[INFO]       AutoMutEv:Residue number 5 from chain H and a score of 1.301 (valine) selected for    
                       automated mutation                                                          (00:03:35)
[INFO]       AutoMutEv:Residue number 11 from chain H and a score of 1.283 (valine) selected for   
                       automated mutation                                                          (00:03:35)
[INFO]       AutoMutEv:Residue number 98 from chain H and a score of 0.294 omitted from automated  
                       mutation (excluded by the user).                                            (00:03:35)
[INFO]       AutoMutEv:Residue number 53 from chain H and a score of 0.279 omitted from automated  
                       mutation (excluded by the user).                                            (00:03:35)
[INFO]       AutoMutEv:Residue number 10 from chain H and a score of 0.262 (glycine) selected for  
                       automated mutation                                                          (00:03:35)
[INFO]       AutoMutEv:Residue number 23 from chain H and a score of 0.208 (valine) selected for   
                       automated mutation                                                          (00:03:35)
[INFO]       AutoMutEv:Residue number 12 from chain H and a score of 0.138 (valine) selected for   
                       automated mutation                                                          (00:03:35)
[INFO]       AutoMutEv:Residue number 29 from chain H and a score of 0.000 omitted from automated  
                       mutation (excluded by the user).                                            (00:03:35)
[INFO]       AutoMutEv:Residue number 32 from chain H and a score of 0.000 omitted from automated  
                       mutation (excluded by the user).                                            (00:03:35)
[INFO]       AutoMutEv:Residue number 97 from chain H and a score of 0.000 omitted from automated  
                       mutation (excluded by the user).                                            (00:03:35)
[INFO]       AutoMutEv:Residue number 30 from chain H and a score of -0.021 omitted from automated 
                       mutation (excluded by the user).                                            (00:03:35)
[INFO]       AutoMutEv:Residue number 102 from chain H and a score of -0.160 (glycine) selected    
                       for automated mutation                                                      (00:03:35)
[INFO]       AutoMutEv:Mutating residue number 5 from chain H (valine) into threonine              (00:03:35)
[INFO]       AutoMutEv:Mutating residue number 5 from chain H (valine) into methionine             (00:03:35)
[INFO]       AutoMutEv:Mutating residue number 11 from chain H (valine) into alanine               (00:03:35)
[INFO]       AutoMutEv:Mutating residue number 5 from chain H (valine) into alanine                (00:03:45)
[INFO]       AutoMutEv:Mutating residue number 11 from chain H (valine) into methionine            (00:03:45)
[INFO]       AutoMutEv:Mutating residue number 11 from chain H (valine) into threonine             (00:03:52)
[INFO]       AutoMutEv:Mutating residue number 10 from chain H (glycine) into glutamic acid        (00:03:54)
[INFO]       AutoMutEv:Mutating residue number 10 from chain H (glycine) into asparagine           (00:03:58)
[INFO]       AutoMutEv:Mutating residue number 23 from chain H (valine) into alanine               (00:04:01)
[INFO]       AutoMutEv:Mutating residue number 10 from chain H (glycine) into aspartic acid        (00:04:06)
[INFO]       AutoMutEv:Mutating residue number 23 from chain H (valine) into threonine             (00:04:08)
[INFO]       AutoMutEv:Mutating residue number 12 from chain H (valine) into threonine             (00:04:18)
[INFO]       AutoMutEv:Mutating residue number 12 from chain H (valine) into methionine            (00:04:19)
[INFO]       AutoMutEv:Mutating residue number 12 from chain H (valine) into alanine               (00:04:30)
[INFO]       AutoMutEv:Mutating residue number 102 from chain H (glycine) into glutamic acid       (00:04:31)
[INFO]       AutoMutEv:Mutating residue number 23 from chain H (valine) into methionine            (00:04:40)
[INFO]       AutoMutEv:Mutating residue number 102 from chain H (glycine) into aspartic acid       (00:04:46)
[INFO]       AutoMutEv:Mutating residue number 102 from chain H (glycine) into asparagine          (00:05:17)
[INFO]       AutoMutEv:Effect of mutation residue number 5 from chain H (valine) into threonine:   
                       Energy difference: 0.1260 kcal/mol, Difference in average score from the    
                       base case: -0.0484                                                          (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 5 from chain H (valine) into alanine:     
                       Energy difference: 1.0619 kcal/mol, Difference in average score from the    
                       base case: -0.0476                                                          (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 5 from chain H (valine) into methionine:  
                       Energy difference: 0.0719 kcal/mol, Difference in average score from the    
                       base case: -0.0204                                                          (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 11 from chain H (valine) into threonine:  
                       Energy difference: 0.0775 kcal/mol, Difference in average score from the    
                       base case: -0.0598                                                          (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 11 from chain H (valine) into alanine:    
                       Energy difference: 0.3778 kcal/mol, Difference in average score from the    
                       base case: -0.0563                                                          (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 11 from chain H (valine) into methionine: 
                       Energy difference: -0.8028 kcal/mol, Difference in average score from the   
                       base case: -0.0233                                                          (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 10 from chain H (glycine) into glutamic   
                       acid: Energy difference: 2.3035 kcal/mol, Difference in average score from  
                       the base case: -0.0427                                                      (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 10 from chain H (glycine) into aspartic   
                       acid: Energy difference: 1.7254 kcal/mol, Difference in average score from  
                       the base case: -0.0466                                                      (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 10 from chain H (glycine) into            
                       asparagine: Energy difference: 1.4895 kcal/mol, Difference in average score 
                       from the base case: -0.0302                                                 (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 23 from chain H (valine) into threonine:  
                       Energy difference: 0.8856 kcal/mol, Difference in average score from the    
                       base case: -0.0191                                                          (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 23 from chain H (valine) into alanine:    
                       Energy difference: 1.2812 kcal/mol, Difference in average score from the    
                       base case: -0.0143                                                          (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 23 from chain H (valine) into methionine: 
                       Energy difference: -0.1048 kcal/mol, Difference in average score from the   
                       base case: -0.0142                                                          (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 12 from chain H (valine) into threonine:  
                       Energy difference: 0.8085 kcal/mol, Difference in average score from the    
                       base case: -0.0080                                                          (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 12 from chain H (valine) into alanine:    
                       Energy difference: 2.1451 kcal/mol, Difference in average score from the    
                       base case: -0.0072                                                          (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 12 from chain H (valine) into methionine: 
                       Energy difference: 1.3181 kcal/mol, Difference in average score from the    
                       base case: 0.0035                                                           (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 102 from chain H (glycine) into glutamic  
                       acid: Energy difference: 22.7398 kcal/mol, Difference in average score from 
                       the base case: 0.0053                                                       (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 102 from chain H (glycine) into aspartic  
                       acid: Energy difference: 19.1687 kcal/mol, Difference in average score from 
                       the base case: 0.0054                                                       (00:05:42)
[INFO]       AutoMutEv:Effect of mutation residue number 102 from chain H (glycine) into           
                       asparagine: Energy difference: 18.6019 kcal/mol, Difference in average      
                       score from the base case: 0.0029                                            (00:05:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:48)
Show buried residues
Minimal score value
-3.0997
Maximal score value
2.3815
Average score
-0.8167
Total score value
-90.6549
Download the table (csv)

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 E H -2.2964
2 V H -1.8910
3 Q H -1.4165
4 L H 0.0000
5 V H 1.3011
6 E H 0.2933
7 S H -0.5455
8 G H -1.1622
9 G H -0.7697
10 G H 0.2624
11 V H 1.2826
12 V H 0.1379
13 Q H -1.2249
14 P H -1.4612
15 G H -1.3582
16 G H -0.8749
17 S H -1.2791
18 L H -0.8976
19 K H -1.9573
20 L H 0.0000
21 S H -0.1955
22 C H 0.0000
23 V H 0.2081
24 A H 0.0000
25 S H -1.2281
26 G H -1.7719
27 T H -1.3683
28 D H -1.5817
29 F H 0.0000
30 S H -0.0207
31 I H 1.8209
32 N H 0.0000
33 F H 2.3815
34 I H 0.0000
35 R H -0.2046
36 W H 0.0000
37 Y H -0.6434
38 R H -1.2466
39 Q H -2.0229
40 A H -1.8645
41 P H -1.3543
42 G H -1.8469
43 K H -3.0997
44 Q H -3.0215
45 R H -2.6492
46 E H -1.9630
47 F H -0.7084
48 V H 0.0000
49 A H 0.0000
50 G H 0.0000
51 F H -0.3540
52 T H -0.4349
53 A H 0.2785
54 T H -0.6134
55 G H -0.6743
56 N H -1.6631
57 T H -1.0778
58 N H -1.5751
59 Y H -1.2655
60 A H -1.4285
61 D H -2.5197
62 S H -1.6452
63 M H 0.0000
64 K H -2.7110
65 G H -1.8553
66 R H -1.5524
67 F H 0.0000
68 T H -0.9898
69 I H 0.0000
70 S H -0.6364
71 R H -1.4662
72 D H -2.2293
73 N H -2.5953
74 T H -1.9017
75 K H -2.5101
76 N H -2.0686
77 A H 0.0000
78 V H 0.0000
79 Y H -0.5692
80 L H 0.0000
81 Q H -1.1826
82 I H 0.0000
83 D H -1.6846
84 S H -1.3258
85 L H 0.0000
86 K H -2.0401
87 P H -1.7698
88 E H -2.2003
89 D H 0.0000
90 T H -0.8679
91 A H 0.0000
92 V H -0.7183
93 Y H 0.0000
94 Y H -0.3435
95 C H 0.0000
96 Y H -0.2431
97 M H 0.0000
98 L H 0.2942
99 D H -1.4921
100 K H -1.5215
101 W H -0.4674
102 G H -0.1601
103 Q H -1.0428
104 G H -0.5474
105 T H 0.0000
106 Q H -1.1999
107 V H 0.0000
108 T H -0.2069
109 V H 0.0000
110 S H -0.7855
111 S H -0.8533
Download PDB file
View in 3Dmol

Automated mutations analysis - evolutionary conserved mutations

In the automated mutations mode, the server selects aggregation prone resides and each selected residue is mutated based off an evolutionary approach. The table below shows 2 best scored mutants for each mutated residue. Protein variants are ordered according to the mutation effect they had on protein stability (energetic effect) together with the difference in the average per-residue aggregation score between the wild type and the mutant (in the table green values indicate a positive change, grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this CSV file .

Mutant
Energetic effect
Score comparison
VM11H -0.8028 -0.0233 View CSV PDB
VM23H -0.1048 -0.0142 View CSV PDB
VT11H 0.0775 -0.0598 View CSV PDB
VT5H 0.126 -0.0484 View CSV PDB
VM5H 0.0719 -0.0204 View CSV PDB
GD10H 1.7254 -0.0466 View CSV PDB
VT23H 0.8856 -0.0191 View CSV PDB
GN10H 1.4895 -0.0302 View CSV PDB
VT12H 0.8085 -0.008 View CSV PDB
VA12H 2.1451 -0.0072 View CSV PDB
GN102H 18.6019 0.0029 View CSV PDB
GD102H 19.1687 0.0054 View CSV PDB