Project name: sfts

Status: done

Started: 2026-05-28 18:05:11
Chain sequence(s) A: GYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCSSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPI
input PDB
Selected Chain(s) A
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]                                                (00:00:01)
[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 A 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                                          (00:01:59)
[INFO]       AutoMutEv:Residue number 88 from chain A and a score of 2.438 (leucine) selected for  
                       automated mutation                                                          (00:02:00)
[INFO]       AutoMutEv:Residue number 89 from chain A and a score of 2.196 (valine) selected for   
                       automated mutation                                                          (00:02:00)
[INFO]       AutoMutEv:Residue number 167 from chain A and a score of 1.996 (isoleucine) selected  
                       for automated mutation                                                      (00:02:00)
[INFO]       AutoMutEv:Residue number 87 from chain A and a score of 1.280 (methionine) selected   
                       for automated mutation                                                      (00:02:00)
[INFO]       AutoMutEv:Residue number 51 from chain A and a score of 1.158 (tyrosine) selected for 
                       automated mutation                                                          (00:02:00)
[INFO]       AutoMutEv:Residue number 147 from chain A and a score of 1.155 (leucine) selected for 
                       automated mutation                                                          (00:02:00)
[INFO]       AutoMutEv:Mutating residue number 88 from chain A (leucine) into methionine           (00:02:00)
[INFO]       AutoMutEv:Mutating residue number 89 from chain A (valine) into alanine               (00:02:00)
[INFO]       AutoMutEv:Mutating residue number 167 from chain A (isoleucine) into threonine        (00:02:00)
[INFO]       AutoMutEv:Mutating residue number 167 from chain A (isoleucine) into methionine       (00:02:06)
[INFO]       AutoMutEv:Mutating residue number 89 from chain A (valine) into methionine            (00:02:06)
[INFO]       AutoMutEv:Mutating residue number 89 from chain A (valine) into threonine             (00:02:09)
[INFO]       AutoMutEv:Mutating residue number 167 from chain A (isoleucine) into leucine          (00:02:12)
[INFO]       AutoMutEv:Mutating residue number 87 from chain A (methionine) into lysine            (00:02:13)
[INFO]       AutoMutEv:Mutating residue number 51 from chain A (tyrosine) into cysteine            (00:02:16)
[INFO]       AutoMutEv:Mutating residue number 87 from chain A (methionine) into arginine          (00:02:17)
[INFO]       AutoMutEv:Mutating residue number 51 from chain A (tyrosine) into tryptophan          (00:02:25)
[INFO]       AutoMutEv:Mutating residue number 147 from chain A (leucine) into methionine          (00:02:33)
[INFO]       AutoMutEv:Mutating residue number 51 from chain A (tyrosine) into histidine           (00:02:57)
[INFO]       AutoMutEv:Effect of mutation residue number 88 from chain A (leucine) into            
                       methionine: Energy difference: 0.0763 kcal/mol, Difference in average score 
                       from the base case: -0.0165                                                 (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 89 from chain A (valine) into threonine:  
                       Energy difference: -0.3313 kcal/mol, Difference in average score from the   
                       base case: -0.0536                                                          (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 89 from chain A (valine) into alanine:    
                       Energy difference: -0.3499 kcal/mol, Difference in average score from the   
                       base case: -0.0492                                                          (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 89 from chain A (valine) into methionine: 
                       Energy difference: -0.1135 kcal/mol, Difference in average score from the   
                       base case: -0.0238                                                          (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 167 from chain A (isoleucine) into        
                       threonine: Energy difference: 0.3216 kcal/mol, Difference in average score  
                       from the base case: -0.0267                                                 (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 167 from chain A (isoleucine) into        
                       methionine: Energy difference: 0.1046 kcal/mol, Difference in average score 
                       from the base case: -0.0123                                                 (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 167 from chain A (isoleucine) into        
                       leucine: Energy difference: 0.1528 kcal/mol, Difference in average score    
                       from the base case: -0.0060                                                 (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 87 from chain A (methionine) into         
                       arginine: Energy difference: 1.2034 kcal/mol, Difference in average score   
                       from the base case: -0.0576                                                 (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 87 from chain A (methionine) into lysine: 
                       Energy difference: 0.9953 kcal/mol, Difference in average score from the    
                       base case: -0.0548                                                          (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 51 from chain A (tyrosine) into           
                       histidine: Energy difference: 1.1857 kcal/mol, Difference in average score  
                       from the base case: -0.0513                                                 (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 51 from chain A (tyrosine) into cysteine: 
                       Energy difference: -0.5618 kcal/mol, Difference in average score from the   
                       base case: -0.0318                                                          (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 51 from chain A (tyrosine) into           
                       tryptophan: Energy difference: -0.0160 kcal/mol, Difference in average      
                       score from the base case: -0.0030                                           (00:03:10)
[INFO]       AutoMutEv:Effect of mutation residue number 147 from chain A (leucine) into           
                       methionine: Energy difference: 0.2412 kcal/mol, Difference in average score 
                       from the base case: -0.0120                                                 (00:03:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:14)
Show buried residues
Minimal score value
-2.9345
Maximal score value
2.4384
Average score
-0.5493
Total score value
-79.0977
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
24 G A -0.4392
25 Y A 0.6131
26 S A -0.2426
27 E A -1.3887
28 K A -0.5564
29 I A 0.1753
30 C A -0.5483
31 Q A -1.3095
32 I A 0.0000
33 D A -2.5537
34 R A -2.9345
35 L A 0.0000
36 I A -0.3959
37 H A 0.0000
38 V A 0.0000
39 S A 0.0000
40 S A -0.3558
41 W A -0.4804
42 L A 0.0000
43 R A -2.2238
44 N A -2.4823
45 H A -2.3421
46 S A -1.7972
47 Q A -2.3798
48 F A -1.5368
49 Q A -1.6719
50 G A -0.0864
51 Y A 1.1578
52 V A 0.0000
53 G A -1.2341
54 Q A -1.3052
55 R A -2.4443
56 G A -2.2432
57 G A -2.3768
58 R A -2.3042
59 S A -1.6184
60 Q A -2.1044
61 V A 0.0000
62 S A -0.6316
63 Y A -0.0740
64 Y A 0.6699
65 P A -0.3662
66 A A -0.6878
67 E A -2.0088
68 N A -1.4912
69 S A -0.8212
70 Y A 0.2934
71 S A -0.7756
72 R A -1.4968
73 W A 0.1901
74 S A -0.2907
75 G A -0.1059
76 L A 0.4128
77 L A 0.2706
78 S A 0.0000
79 P A 0.3157
80 C A 0.4878
81 D A 0.0000
82 A A 0.0000
83 D A 0.9540
84 W A 0.7552
85 L A 0.7482
86 G A 0.5383
87 M A 1.2798
88 L A 2.4384
89 V A 2.1960
90 V A 0.7564
91 K A -1.4469
92 K A -2.2056
93 A A -1.4669
94 K A -1.3565
95 G A -0.8894
96 S A -0.4838
97 D A 0.0310
98 M A 0.8902
99 I A 0.8278
100 V A 0.8801
101 P A 0.1504
102 G A 0.1423
103 P A -0.2799
104 S A -1.2230
105 Y A 0.0000
106 K A -2.7902
107 G A -2.1447
108 K A -1.7482
109 V A 0.0000
110 F A 0.0000
111 F A 0.0000
112 E A -0.2313
113 R A -0.3606
114 P A -0.0269
115 T A 0.1919
116 F A 1.0595
117 D A -1.0100
118 G A -0.0515
119 Y A -0.1137
120 V A 0.0000
121 G A 0.0000
122 W A -0.3269
123 G A -0.3265
124 C A -0.3353
125 S A -0.9335
126 S A -1.3039
127 G A -1.4513
128 K A -1.6595
129 S A 0.0000
130 R A -1.7268
131 T A -2.1089
132 E A -2.8369
133 S A -1.7422
134 G A -1.3385
135 E A -1.2097
136 L A 0.3164
137 C A -0.2143
138 S A -1.1241
139 S A -1.5433
140 D A -2.5425
141 S A -1.6140
142 G A -1.4772
143 T A -1.0708
144 S A -0.9213
145 S A -0.2026
146 G A 0.0515
147 L A 1.1547
148 L A 0.0000
149 P A -0.9427
150 S A 0.0000
151 D A -2.3054
152 R A -1.8115
153 V A 0.0000
154 L A 0.0000
155 W A 0.0000
156 I A 0.1464
157 G A -0.4968
158 D A -1.0512
159 V A 0.0787
160 A A 0.0775
161 C A -0.1047
162 Q A -0.8506
163 P A -0.2919
164 M A 0.7729
165 T A 0.7435
166 P A 0.9381
167 I A 1.9962
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
VT89A -0.3313 -0.0536 View CSV PDB
VA89A -0.3499 -0.0492 View CSV PDB
YC51A -0.5618 -0.0318 View CSV PDB
YW51A -0.016 -0.003 View CSV PDB
LM88A 0.0763 -0.0165 View CSV PDB
IM167A 0.1046 -0.0123 View CSV PDB
IT167A 0.3216 -0.0267 View CSV PDB
MK87A 0.9953 -0.0548 View CSV PDB
LM147A 0.2412 -0.012 View CSV PDB
MR87A 1.2034 -0.0576 View CSV PDB