Project name: 5420b1ef4248f4e

Status: done

Started: 2026-05-20 05:23:53
Chain sequence(s) A: EVQLVESGGALVKPGGSLRLSCAASGFTFTEAWMHWVRQAPGKQLEWVAQIKDRSQTYATYYAESVKGRFTISRDDSKNTLYLQMNSLKTEDTAVYYCRGVYYANAPFDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIVMTQSPLSLPVTPGEPASISCRSSQSLVHNTGNTYLSWYLQKPGQSPQSLIYKVSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCGQGTQAPFTFGSGTKVEIK
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]                                                (00:00:11)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:11)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:11)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:11)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:12)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:03:29)
[INFO]       AutoMut:  Residue number 116 from chain A and a score of 1.781 (leucine) selected for 
                       automated mutation                                                          (00:03:31)
[INFO]       AutoMut:  Residue number 11 from chain A and a score of 1.405 (leucine) selected for  
                       automated mutation                                                          (00:03:31)
[INFO]       AutoMut:  Residue number 145 from chain A and a score of 1.212 (leucine) selected for 
                       automated mutation                                                          (00:03:31)
[INFO]       AutoMut:  Residue number 5 from chain A and a score of 0.944 (valine) selected for    
                       automated mutation                                                          (00:03:31)
[INFO]       AutoMut:  Residue number 10 from chain A and a score of 0.857 (alanine) selected for  
                       automated mutation                                                          (00:03:31)
[INFO]       AutoMut:  Residue number 139 from chain A and a score of 0.836 (valine) selected for  
                       automated mutation                                                          (00:03:31)
[INFO]       AutoMut:  Mutating residue number 116 from chain A (leucine) into glutamic acid       (00:03:31)
[INFO]       AutoMut:  Mutating residue number 116 from chain A (leucine) into aspartic acid       (00:03:31)
[INFO]       AutoMut:  Mutating residue number 11 from chain A (leucine) into glutamic acid        (00:03:31)
[INFO]       AutoMut:  Mutating residue number 116 from chain A (leucine) into arginine            (00:03:42)
[INFO]       AutoMut:  Mutating residue number 11 from chain A (leucine) into lysine               (00:03:43)
[INFO]       AutoMut:  Mutating residue number 116 from chain A (leucine) into lysine              (00:03:44)
[INFO]       AutoMut:  Mutating residue number 11 from chain A (leucine) into aspartic acid        (00:03:57)
[INFO]       AutoMut:  Mutating residue number 11 from chain A (leucine) into arginine             (00:04:06)
[INFO]       AutoMut:  Mutating residue number 145 from chain A (leucine) into glutamic acid       (00:04:07)
[INFO]       AutoMut:  Mutating residue number 145 from chain A (leucine) into aspartic acid       (00:04:20)
[INFO]       AutoMut:  Mutating residue number 5 from chain A (valine) into glutamic acid          (00:04:21)
[INFO]       AutoMut:  Mutating residue number 145 from chain A (leucine) into lysine              (00:04:21)
[INFO]       AutoMut:  Mutating residue number 145 from chain A (leucine) into arginine            (00:04:30)
[INFO]       AutoMut:  Mutating residue number 5 from chain A (valine) into lysine                 (00:04:40)
[INFO]       AutoMut:  Mutating residue number 5 from chain A (valine) into aspartic acid          (00:04:41)
[INFO]       AutoMut:  Mutating residue number 10 from chain A (alanine) into glutamic acid        (00:04:44)
[INFO]       AutoMut:  Mutating residue number 5 from chain A (valine) into arginine               (00:04:53)
[INFO]       AutoMut:  Mutating residue number 10 from chain A (alanine) into lysine               (00:04:53)
[INFO]       AutoMut:  Mutating residue number 10 from chain A (alanine) into aspartic acid        (00:05:03)
[INFO]       AutoMut:  Mutating residue number 10 from chain A (alanine) into arginine             (00:05:10)
[INFO]       AutoMut:  Mutating residue number 139 from chain A (valine) into glutamic acid        (00:05:18)
[INFO]       AutoMut:  Mutating residue number 139 from chain A (valine) into aspartic acid        (00:05:26)
[INFO]       AutoMut:  Mutating residue number 139 from chain A (valine) into lysine               (00:05:28)
[INFO]       AutoMut:  Mutating residue number 139 from chain A (valine) into arginine             (00:05:34)
[INFO]       AutoMut:  Effect of mutation residue number 116 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.4448 kcal/mol, Difference in average score from  
                       the base case: -0.0494                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 116 from chain A (leucine) into lysine:   
                       Energy difference: -0.2763 kcal/mol, Difference in average score from the   
                       base case: -0.0454                                                          (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 116 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.7218 kcal/mol, Difference in average score from  
                       the base case: -0.0491                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 116 from chain A (leucine) into arginine: 
                       Energy difference: -0.1938 kcal/mol, Difference in average score from the   
                       base case: -0.0476                                                          (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain A (leucine) into glutamic   
                       acid: Energy difference: 0.4754 kcal/mol, Difference in average score from  
                       the base case: -0.0514                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain A (leucine) into lysine:    
                       Energy difference: 0.2102 kcal/mol, Difference in average score from the    
                       base case: -0.0490                                                          (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain A (leucine) into aspartic   
                       acid: Energy difference: 0.5819 kcal/mol, Difference in average score from  
                       the base case: -0.0517                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain A (leucine) into arginine:  
                       Energy difference: -0.0119 kcal/mol, Difference in average score from the   
                       base case: -0.0551                                                          (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 145 from chain A (leucine) into glutamic  
                       acid: Energy difference: -0.6509 kcal/mol, Difference in average score from 
                       the base case: -0.0441                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 145 from chain A (leucine) into lysine:   
                       Energy difference: 0.1818 kcal/mol, Difference in average score from the    
                       base case: -0.0419                                                          (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 145 from chain A (leucine) into aspartic  
                       acid: Energy difference: -0.2005 kcal/mol, Difference in average score from 
                       the base case: -0.0438                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 145 from chain A (leucine) into arginine: 
                       Energy difference: -0.0327 kcal/mol, Difference in average score from the   
                       base case: -0.0441                                                          (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 5 from chain A (valine) into glutamic     
                       acid: Energy difference: 0.1023 kcal/mol, Difference in average score from  
                       the base case: -0.0350                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 5 from chain A (valine) into lysine:      
                       Energy difference: -0.6791 kcal/mol, Difference in average score from the   
                       base case: -0.0335                                                          (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 5 from chain A (valine) into aspartic     
                       acid: Energy difference: 0.3909 kcal/mol, Difference in average score from  
                       the base case: -0.0355                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 5 from chain A (valine) into arginine:    
                       Energy difference: -0.6546 kcal/mol, Difference in average score from the   
                       base case: -0.0235                                                          (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 10 from chain A (alanine) into glutamic   
                       acid: Energy difference: -0.3114 kcal/mol, Difference in average score from 
                       the base case: -0.0254                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 10 from chain A (alanine) into lysine:    
                       Energy difference: -0.1719 kcal/mol, Difference in average score from the   
                       base case: -0.0255                                                          (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 10 from chain A (alanine) into aspartic   
                       acid: Energy difference: -0.7076 kcal/mol, Difference in average score from 
                       the base case: -0.0253                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 10 from chain A (alanine) into arginine:  
                       Energy difference: -0.6766 kcal/mol, Difference in average score from the   
                       base case: -0.0230                                                          (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 139 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.0249 kcal/mol, Difference in average score from 
                       the base case: -0.0441                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 139 from chain A (valine) into lysine:    
                       Energy difference: -0.1537 kcal/mol, Difference in average score from the   
                       base case: -0.0338                                                          (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 139 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.1973 kcal/mol, Difference in average score from 
                       the base case: -0.0440                                                      (00:05:55)
[INFO]       AutoMut:  Effect of mutation residue number 139 from chain A (valine) into arginine:  
                       Energy difference: -0.6786 kcal/mol, Difference in average score from the   
                       base case: -0.0312                                                          (00:05:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:01)
Show buried residues
Minimal score value
-3.3366
Maximal score value
1.7808
Average score
-0.6796
Total score value
-168.5342
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 -2.1777
2 V A -1.3563
3 Q A -1.3882
4 L A 0.0000
5 V A 0.9438
6 E A 0.0000
7 S A -0.1457
8 G A -0.6339
9 G A 0.3209
10 A A 0.8567
11 L A 1.4052
12 V A -0.2145
13 K A -1.8208
14 P A -1.6869
15 G A -1.3985
16 G A -1.0212
17 S A -1.2404
18 L A -0.7470
19 R A -1.8015
20 L A 0.0000
21 S A -0.3322
22 C A 0.0000
23 A A -0.1527
24 A A 0.0000
25 S A -1.1073
26 G A -1.2936
27 F A -0.6448
28 T A -0.5188
29 F A 0.0000
30 T A -1.2969
31 E A -1.6446
32 A A 0.0000
33 W A -0.2152
34 M A 0.0000
35 H A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.7183
40 A A -1.1383
41 P A -1.0837
42 G A -1.5360
43 K A -2.4231
44 Q A -1.7209
45 L A 0.0000
46 E A -1.0730
47 W A 0.0000
48 V A 0.0000
49 A A 0.0000
50 Q A 0.0000
51 I A 0.0000
52 K A -0.7461
53 D A 0.0000
54 R A -2.3519
55 S A -1.6323
56 Q A -1.5010
57 T A -1.0089
58 Y A -0.5363
59 A A -0.2539
60 T A 0.2234
61 Y A 0.1781
62 Y A -0.6059
63 A A -1.2954
64 E A -2.6790
65 S A -1.9910
66 V A 0.0000
67 K A -2.5530
68 G A -1.7535
69 R A -1.5398
70 F A 0.0000
71 T A -0.7667
72 I A 0.0000
73 S A -0.2744
74 R A -0.7602
75 D A -1.3066
76 D A -1.7017
77 S A -1.4355
78 K A -2.2820
79 N A -1.6374
80 T A -0.9114
81 L A 0.0000
82 Y A -0.4815
83 L A 0.0000
84 Q A -1.2209
85 M A 0.0000
86 N A -1.3362
87 S A -1.1606
88 L A 0.0000
89 K A -2.0516
90 T A -1.9255
91 E A -2.4962
92 D A 0.0000
93 T A -0.2898
94 A A 0.0000
95 V A 0.8290
96 Y A 0.0000
97 Y A 0.0000
98 C A 0.0000
99 R A 0.0000
100 G A 0.0000
101 V A 0.0000
102 Y A 0.1401
103 Y A 0.1902
104 A A -0.4095
105 N A -1.0840
106 A A -0.3549
107 P A -0.0980
108 F A 0.3463
109 D A 0.1690
110 Y A 0.0563
111 W A 0.0000
112 G A 0.0000
113 Q A -1.2734
114 G A 0.0000
115 T A 0.6541
116 L A 1.7808
117 V A 0.0000
118 T A 0.4410
119 V A 0.0000
120 S A -1.1745
121 S A -1.2486
122 G A -1.1000
123 G A -1.1335
124 G A -1.1688
125 G A -1.1853
126 S A -0.9873
127 G A -1.4089
128 G A -1.4950
129 G A -1.5099
130 G A -1.3978
131 S A -1.2149
132 G A -1.1679
133 G A -1.6830
134 G A -1.4912
135 G A -1.6234
136 S A -1.0543
137 D A -1.4109
138 I A 0.0000
139 V A 0.8358
140 M A 0.0000
141 T A -0.3531
142 Q A 0.0000
143 S A -0.1307
144 P A 0.3691
145 L A 1.2118
146 S A 0.1259
147 L A -0.2154
148 P A -0.9532
149 V A 0.0000
150 T A -1.4955
151 P A -1.7314
152 G A -1.9938
153 E A -2.4539
154 P A -2.2027
155 A A 0.0000
156 S A -0.7404
157 I A 0.0000
158 S A -0.8581
159 C A 0.0000
160 R A -2.3195
161 S A 0.0000
162 S A -0.9381
163 Q A -1.4323
164 S A -0.8073
165 L A 0.0000
166 V A 0.5476
167 H A -0.5691
168 N A -1.2819
169 T A -0.8325
170 G A -0.6983
171 N A -0.5068
172 T A -0.0691
173 Y A 0.0471
174 L A 0.0000
175 S A 0.0000
176 W A 0.0000
177 Y A 0.0000
178 L A 0.0000
179 Q A 0.0000
180 K A -1.6848
181 P A -1.1099
182 G A -1.5197
183 Q A -2.1644
184 S A -1.4346
185 P A 0.0000
186 Q A -0.9852
187 S A 0.0000
188 L A 0.0000
189 I A 0.0000
190 Y A -0.4679
191 K A -0.7638
192 V A -0.6156
193 S A -0.9609
194 N A -1.4408
195 R A -1.9199
196 A A -0.9040
197 S A -0.7359
198 G A -0.8921
199 V A -0.9871
200 P A -1.2843
201 D A -2.4036
202 R A -2.1038
203 F A 0.0000
204 S A -1.3241
205 G A 0.0000
206 S A -0.7836
207 G A -1.0261
208 S A -0.6827
209 G A -0.7298
210 T A -1.4993
211 D A -2.1340
212 F A 0.0000
213 T A -0.9941
214 L A 0.0000
215 K A -1.5760
216 I A 0.0000
217 S A -2.3228
218 R A -3.3366
219 V A 0.0000
220 E A -2.6036
221 A A -1.4418
222 E A -2.2282
223 D A 0.0000
224 V A -0.8685
225 G A 0.0000
226 V A -0.1073
227 Y A 0.0000
228 Y A 0.0000
229 C A 0.0000
230 G A 0.0000
231 Q A 0.0000
232 G A -0.4437
233 T A 0.0000
234 Q A -1.2121
235 A A -0.6343
236 P A -0.8805
237 F A 0.0000
238 T A -0.1447
239 F A 0.0000
240 G A 0.0000
241 S A -0.3526
242 G A 0.0000
243 T A 0.0000
244 K A -0.5023
245 V A 0.0000
246 E A -1.2491
247 I A -0.7813
248 K A -1.6927
Download PDB file
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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
LE145A -0.6509 -0.0441 View CSV PDB
VK5A -0.6791 -0.0335 View CSV PDB
VR139A -0.6786 -0.0312 View CSV PDB
LK116A -0.2763 -0.0454 View CSV PDB
LR116A -0.1938 -0.0476 View CSV PDB
LD145A -0.2005 -0.0438 View CSV PDB
VD139A -0.1973 -0.044 View CSV PDB
AD10A -0.7076 -0.0253 View CSV PDB
LR11A -0.0119 -0.0551 View CSV PDB
VR5A -0.6546 -0.0235 View CSV PDB
AR10A -0.6766 -0.023 View CSV PDB
LK11A 0.2102 -0.049 View CSV PDB