Project name: IgGM137_alphafold

Status: done

Started: 2026-06-14 14:08:25
Chain sequence(s) A: EVQLVESGGGLEQPGGSLRLSCAGSGFTFSNYLLDWVRQAPGKGLEWVSSIRGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAREAYSNAKTNYYGSDVWGQGTTVTVSSAS
B: DIVMTQSPLSLPVTPGEPASISCRSSQSVSNYLAWYLQKSGQSPQLLIYRAFNLASGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYCMQYYGWPYTFGQGTKLEIKRTV
input PDB
Selected Chain(s) A,B
Distance of aggregation 5 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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:01:34)
[INFO]       AutoMut:  Residue number 5 from chain A and a score of 1.773 (valine) selected for    
                       automated mutation                                                          (00:01:35)
[INFO]       AutoMut:  Residue number 3 from chain B and a score of 1.773 (valine) selected for    
                       automated mutation                                                          (00:01:35)
[INFO]       AutoMut:  Residue number 110 from chain B and a score of 1.760 (valine) selected for  
                       automated mutation                                                          (00:01:35)
[INFO]       AutoMut:  Residue number 52 from chain B and a score of 1.741 (phenylalanine)         
                       selected for automated mutation                                             (00:01:35)
[INFO]       AutoMut:  Residue number 11 from chain A and a score of 1.422 (leucine) selected for  
                       automated mutation                                                          (00:01:35)
[INFO]       AutoMut:  Residue number 110 from chain A and a score of 1.405 (tyrosine) selected    
                       for automated mutation                                                      (00:01:35)
[INFO]       AutoMut:  Mutating residue number 5 from chain A (valine) into glutamic acid          (00:01:35)
[INFO]       AutoMut:  Mutating residue number 5 from chain A (valine) into aspartic acid          (00:01:35)
[INFO]       AutoMut:  Mutating residue number 3 from chain B (valine) into glutamic acid          (00:01:35)
[INFO]       AutoMut:  Mutating residue number 5 from chain A (valine) into arginine               (00:01:41)
[INFO]       AutoMut:  Mutating residue number 3 from chain B (valine) into lysine                 (00:01:43)
[INFO]       AutoMut:  Mutating residue number 5 from chain A (valine) into lysine                 (00:01:45)
[INFO]       AutoMut:  Mutating residue number 3 from chain B (valine) into aspartic acid          (00:01:58)
[INFO]       AutoMut:  Mutating residue number 110 from chain B (valine) into glutamic acid        (00:02:02)
[INFO]       AutoMut:  Mutating residue number 3 from chain B (valine) into arginine               (00:02:04)
[INFO]       AutoMut:  Mutating residue number 110 from chain B (valine) into aspartic acid        (00:02:04)
[INFO]       AutoMut:  Mutating residue number 110 from chain B (valine) into lysine               (00:02:09)
[INFO]       AutoMut:  Mutating residue number 110 from chain B (valine) into arginine             (00:02:09)
[INFO]       AutoMut:  Mutating residue number 52 from chain B (phenylalanine) into glutamic acid  
                       Mutating residue number 52 from chain B (phenylalanine) into glutamic acid  (00:02:17)
[INFO]       AutoMut:  Mutating residue number 52 from chain B (phenylalanine) into aspartic acid  
                       Mutating residue number 52 from chain B (phenylalanine) into aspartic acid  (00:02:17)
[INFO]       AutoMut:  Mutating residue number 11 from chain A (leucine) into glutamic acid        (00:02:18)
[INFO]       AutoMut:  Mutating residue number 52 from chain B (phenylalanine) into arginine       (00:02:25)
[INFO]       AutoMut:  Mutating residue number 11 from chain A (leucine) into lysine               (00:02:27)
[INFO]       AutoMut:  Mutating residue number 52 from chain B (phenylalanine) into lysine         (00:02:29)
[INFO]       AutoMut:  Mutating residue number 11 from chain A (leucine) into aspartic acid        (00:02:38)
[INFO]       AutoMut:  Mutating residue number 110 from chain A (tyrosine) into glutamic acid      (00:02:39)
[INFO]       AutoMut:  Mutating residue number 11 from chain A (leucine) into arginine             (00:02:46)
[INFO]       AutoMut:  Mutating residue number 110 from chain A (tyrosine) into aspartic acid      (00:02:51)
[INFO]       AutoMut:  Mutating residue number 110 from chain A (tyrosine) into lysine             (00:03:00)
[INFO]       AutoMut:  Mutating residue number 110 from chain A (tyrosine) into arginine           (00:03:08)
[INFO]       AutoMut:  Effect of mutation residue number 5 from chain A (valine) into glutamic     
                       acid: Energy difference: 0.0148 kcal/mol, Difference in average score from  
                       the base case: -0.0154                                                      (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 5 from chain A (valine) into lysine:      
                       Energy difference: -0.6994 kcal/mol, Difference in average score from the   
                       base case: -0.0138                                                          (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 5 from chain A (valine) into aspartic     
                       acid: Energy difference: 0.2829 kcal/mol, Difference in average score from  
                       the base case: -0.0152                                                      (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 5 from chain A (valine) into arginine:    
                       Energy difference: -0.6872 kcal/mol, Difference in average score from the   
                       base case: -0.0149                                                          (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 3 from chain B (valine) into glutamic     
                       acid: Energy difference: -0.2817 kcal/mol, Difference in average score from 
                       the base case: -0.0159                                                      (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 3 from chain B (valine) into lysine:      
                       Energy difference: -0.3364 kcal/mol, Difference in average score from the   
                       base case: -0.0142                                                          (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 3 from chain B (valine) into aspartic     
                       acid: Energy difference: -0.4699 kcal/mol, Difference in average score from 
                       the base case: -0.0151                                                      (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 3 from chain B (valine) into arginine:    
                       Energy difference: -0.9285 kcal/mol, Difference in average score from the   
                       base case: -0.0152                                                          (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 110 from chain B (valine) into glutamic   
                       acid: Energy difference: -0.2587 kcal/mol, Difference in average score from 
                       the base case: -0.0180                                                      (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 110 from chain B (valine) into lysine:    
                       Energy difference: -0.2719 kcal/mol, Difference in average score from the   
                       base case: -0.0174                                                          (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 110 from chain B (valine) into aspartic   
                       acid: Energy difference: -0.2837 kcal/mol, Difference in average score from 
                       the base case: -0.0178                                                      (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 110 from chain B (valine) into arginine:  
                       Energy difference: -0.1739 kcal/mol, Difference in average score from the   
                       base case: -0.0181                                                          (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 52 from chain B (phenylalanine) into      
                       glutamic acid: Energy difference: 0.8191 kcal/mol, Difference in average    
                       score from the base case: -0.0236                                           (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 52 from chain B (phenylalanine) into      
                       lysine: Energy difference: 0.1293 kcal/mol, Difference in average score     
                       from the base case: -0.0198                                                 (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 52 from chain B (phenylalanine) into      
                       aspartic acid: Energy difference: 1.0147 kcal/mol, Difference in average    
                       score from the base case: -0.0223                                           (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 52 from chain B (phenylalanine) into      
                       arginine: Energy difference: 0.1615 kcal/mol, Difference in average score   
                       from the base case: -0.0207                                                 (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain A (leucine) into glutamic   
                       acid: Energy difference: 0.6167 kcal/mol, Difference in average score from  
                       the base case: -0.0208                                                      (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain A (leucine) into lysine:    
                       Energy difference: 0.1537 kcal/mol, Difference in average score from the    
                       base case: -0.0201                                                          (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain A (leucine) into aspartic   
                       acid: Energy difference: 0.9029 kcal/mol, Difference in average score from  
                       the base case: -0.0207                                                      (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain A (leucine) into arginine:  
                       Energy difference: -0.3214 kcal/mol, Difference in average score from the   
                       base case: -0.0208                                                          (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 110 from chain A (tyrosine) into glutamic 
                       acid: Energy difference: -0.4033 kcal/mol, Difference in average score from 
                       the base case: -0.0213                                                      (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 110 from chain A (tyrosine) into lysine:  
                       Energy difference: 0.2886 kcal/mol, Difference in average score from the    
                       base case: -0.0187                                                          (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 110 from chain A (tyrosine) into aspartic 
                       acid: Energy difference: -0.0572 kcal/mol, Difference in average score from 
                       the base case: -0.0198                                                      (00:03:28)
[INFO]       AutoMut:  Effect of mutation residue number 110 from chain A (tyrosine) into          
                       arginine: Energy difference: 0.4715 kcal/mol, Difference in average score   
                       from the base case: -0.0211                                                 (00:03:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:34)
Show buried residues
Minimal score value
-2.0936
Maximal score value
1.7728
Average score
-0.2287
Total score value
-54.2118
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 A -1.8199
2 V A 0.0000
3 Q A -1.1859
4 L A 0.0000
5 V A 1.7728
6 E A 0.0000
7 S A -0.2485
8 G A -0.3895
9 G A -0.2831
10 G A 0.0627
11 L A 1.4219
12 E A -0.4216
13 Q A -1.3073
14 P A -0.5241
15 G A -0.5190
16 G A -0.1705
17 S A -0.2393
18 L A -0.1480
19 R A -1.8868
20 L A 0.0000
21 S A -0.0353
22 C A 0.0000
23 A A 0.0317
24 G A 0.0000
25 S A -0.2974
26 G A -0.4673
27 F A 0.1194
28 T A -0.0071
29 F A 0.0000
30 S A -0.1886
31 N A -0.5494
32 Y A 0.0000
33 L A 0.0000
34 L A 0.0000
35 D A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.1401
40 A A -0.0638
41 P A -0.3381
42 G A -0.8144
43 K A -1.8085
44 G A -0.4525
45 L A 0.0000
46 E A -0.6658
47 W A 0.0000
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 R A -1.2261
53 G A -0.3848
54 S A -0.2498
55 G A -0.2696
56 G A -0.5102
57 S A -0.1857
58 T A 0.0090
59 Y A 0.3421
60 Y A 0.2853
61 A A -0.2741
62 D A -1.8092
63 S A -0.4376
64 V A 0.0000
65 K A -1.7850
66 G A -0.8106
67 R A -0.2763
68 F A 0.0000
69 T A -0.0535
70 I A 0.0000
71 S A -0.1378
72 R A -0.2892
73 D A -0.4782
74 N A -0.6210
75 S A -0.5989
76 K A -1.8570
77 N A -1.0159
78 T A -0.1232
79 L A 0.0000
80 Y A 0.1717
81 L A 0.0000
82 Q A -0.8633
83 M A 0.0000
84 N A -1.3100
85 S A -0.4354
86 L A 0.0000
87 R A -1.1015
88 A A -0.4706
89 E A -1.8094
90 D A 0.0000
91 T A -0.0184
92 A A 0.0000
93 V A 0.4196
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 A A 0.0000
99 R A 0.0000
100 E A -0.3438
101 A A 0.0000
102 Y A 1.3087
103 S A -0.0314
104 N A -1.2784
105 A A -0.5263
106 K A -1.7025
107 T A -0.3573
108 N A -0.0547
109 Y A 0.7589
110 Y A 1.4055
111 G A 0.1497
112 S A 0.0000
113 D A -0.1576
114 V A 0.2429
115 W A 0.1616
116 G A 0.0000
117 Q A -1.1983
118 G A 0.0000
119 T A -0.0204
120 T A -0.0110
121 V A 0.0000
122 T A 0.1393
123 V A 0.0000
124 S A -0.1557
125 S A -0.2238
126 A A -0.0202
127 S A -0.2021
1 D B -1.7894
2 I B 0.0000
3 V B 1.7728
4 M B 0.0000
5 T B -0.0372
6 Q B 0.0000
7 S B -0.1507
8 P B 0.0608
9 L B 1.0800
10 S B -0.0562
11 L B 0.1529
12 P B -0.2340
13 V B 0.0000
14 T B -0.0988
15 P B -0.2063
16 G B -0.4845
17 E B -0.6989
18 P B -0.6046
19 A B 0.0000
20 S B -0.3188
21 I B 0.0000
22 S B -0.0797
23 C B 0.0000
24 R B -1.7898
25 S B 0.0000
26 S B -0.3592
27 Q B -0.8803
28 S B -0.3135
29 V B 0.0000
30 S B -0.1654
31 N B -0.2386
32 Y B 0.3072
33 L B 0.0000
34 A B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 L B 0.0000
38 Q B 0.0000
39 K B -0.7584
40 S B -0.4283
41 G B -0.7200
42 Q B -1.2895
43 S B -0.2616
44 P B 0.0000
45 Q B -1.0249
46 L B 0.0000
47 L B 0.0000
48 I B 0.0000
49 Y B 0.0767
50 R B -0.2881
51 A B 0.0000
52 F B 1.7407
53 N B -0.1818
54 L B 0.4640
55 A B 0.0000
56 S B -0.2978
57 G B -0.4744
58 V B 0.0689
59 P B -0.3930
60 D B -1.8672
61 R B -0.6525
62 F B 0.0000
63 S B -0.1821
64 G B 0.1622
65 S B -0.2578
66 G B -0.2683
67 S B -0.2660
68 G B -0.1766
69 T B -0.2961
70 D B -1.5194
71 F B 0.0000
72 T B -0.0273
73 L B 0.0000
74 K B -1.6959
75 I B 0.0000
76 S B -0.5780
77 R B -1.9269
78 V B 0.0000
79 E B -0.9383
80 A B -0.4403
81 E B -1.8094
82 D B 0.0000
83 V B 0.6657
84 G B 0.0000
85 F B 0.6645
86 Y B 0.0000
87 Y B 0.0000
88 C B 0.0000
89 M B 0.0000
90 Q B 0.0000
91 Y B 0.3292
92 Y B 0.9945
93 G B 0.1489
94 W B 0.5427
95 P B 0.1069
96 Y B 0.0000
97 T B 0.0270
98 F B 0.2004
99 G B 0.0000
100 Q B -1.1983
101 G B 0.0000
102 T B 0.0000
103 K B -0.7097
104 L B 0.0000
105 E B -0.8757
106 I B 0.2957
107 K B -1.4862
108 R B -2.0936
109 T B -0.0891
110 V B 1.7597
Download PDB file
View in 3Dmol

Automated mutations analysis - charged mutations

In the automated mutations mode, the server selects aggregation prone resides and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine. 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
VR3B -0.9285 -0.0152 View CSV PDB
YE110A -0.4033 -0.0213 View CSV PDB
VR5A -0.6872 -0.0149 View CSV PDB
LR11A -0.3214 -0.0208 View CSV PDB
VK5A -0.6994 -0.0138 View CSV PDB
VD3B -0.4699 -0.0151 View CSV PDB
VD110B -0.2837 -0.0178 View CSV PDB
VE110B -0.2587 -0.018 View CSV PDB
YD110A -0.0572 -0.0198 View CSV PDB
FK52B 0.1293 -0.0198 View CSV PDB
LK11A 0.1537 -0.0201 View CSV PDB
FR52B 0.1615 -0.0207 View CSV PDB