Project name: 8061bc6f4d3dc83

Status: done

Started: 2026-05-27 09:03:37
Chain sequence(s) A: VEFVRTGYGKDMVKVLHIQRDGKYHSIKEVATSVQLTLSSKKDYLHGDNSDIIPTDTIKNTVHVLAKFKGIKSIEAFAMNICEHFLSSFNHVIRAQVYVEEVPWKRFEKNGVKHVHAFIHTPTGTHFCEVEQMKSGPPVIHSGIKDLKVLKTTQSGFEGFIKDQFTTLPEVKDRCFATQVYCKWRYHQGRDVDFEATWDTVRDIVLKKFAGPYDKGEYSPSVQKTLYDIQVLSLSRVPEIEDMEISLPNIHYFNIDMSKMGLINKEEVLLPLDNPYGKITGTVKR
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                                          (00:00:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:08:33)
[INFO]       AutoMut:  Residue number 132 from chain A and a score of 1.583 (isoleucine) selected  
                       for automated mutation                                                      (00:08:35)
[INFO]       AutoMut:  Residue number 283 from chain A and a score of 1.365 (leucine) selected for 
                       automated mutation                                                          (00:08:35)
[INFO]       AutoMut:  Residue number 265 from chain A and a score of 1.326 (tyrosine) selected    
                       for automated mutation                                                      (00:08:35)
[INFO]       AutoMut:  Residue number 14 from chain A and a score of 1.296 (valine) selected for   
                       automated mutation                                                          (00:08:35)
[INFO]       AutoMut:  Residue number 275 from chain A and a score of 1.281 (leucine) selected for 
                       automated mutation                                                          (00:08:35)
[INFO]       AutoMut:  Residue number 276 from chain A and a score of 1.155 (isoleucine) selected  
                       for automated mutation                                                      (00:08:35)
[INFO]       AutoMut:  Mutating residue number 132 from chain A (isoleucine) into glutamic acid    (00:08:35)
[INFO]       AutoMut:  Mutating residue number 132 from chain A (isoleucine) into aspartic acid    (00:08:35)
[INFO]       AutoMut:  Mutating residue number 283 from chain A (leucine) into glutamic acid       (00:08:35)
[INFO]       AutoMut:  Mutating residue number 132 from chain A (isoleucine) into arginine         (00:08:49)
[INFO]       AutoMut:  Mutating residue number 283 from chain A (leucine) into lysine              (00:08:52)
[INFO]       AutoMut:  Mutating residue number 132 from chain A (isoleucine) into lysine           (00:08:53)
[INFO]       AutoMut:  Mutating residue number 283 from chain A (leucine) into aspartic acid       (00:09:08)
[INFO]       AutoMut:  Mutating residue number 265 from chain A (tyrosine) into glutamic acid      (00:09:18)
[INFO]       AutoMut:  Mutating residue number 283 from chain A (leucine) into arginine            (00:09:23)
[INFO]       AutoMut:  Mutating residue number 265 from chain A (tyrosine) into aspartic acid      (00:09:24)
[INFO]       AutoMut:  Mutating residue number 265 from chain A (tyrosine) into lysine             (00:09:35)
[INFO]       AutoMut:  Mutating residue number 265 from chain A (tyrosine) into arginine           (00:09:37)
[INFO]       AutoMut:  Mutating residue number 14 from chain A (valine) into glutamic acid         (00:09:44)
[INFO]       AutoMut:  Mutating residue number 14 from chain A (valine) into aspartic acid         (00:09:54)
[INFO]       AutoMut:  Mutating residue number 275 from chain A (leucine) into glutamic acid       (00:09:57)
[INFO]       AutoMut:  Mutating residue number 14 from chain A (valine) into lysine                (00:09:58)
[INFO]       AutoMut:  Mutating residue number 14 from chain A (valine) into arginine              (00:10:06)
[INFO]       AutoMut:  Mutating residue number 275 from chain A (leucine) into lysine              (00:10:13)
[INFO]       AutoMut:  Mutating residue number 275 from chain A (leucine) into aspartic acid       (00:10:19)
[INFO]       AutoMut:  Mutating residue number 276 from chain A (isoleucine) into glutamic acid    (00:10:23)
[INFO]       AutoMut:  Mutating residue number 275 from chain A (leucine) into arginine            (00:10:33)
[INFO]       AutoMut:  Mutating residue number 276 from chain A (isoleucine) into aspartic acid    (00:10:37)
[INFO]       AutoMut:  Mutating residue number 276 from chain A (isoleucine) into lysine           (00:10:44)
[INFO]       AutoMut:  Mutating residue number 276 from chain A (isoleucine) into arginine         (00:10:50)
[INFO]       AutoMut:  Effect of mutation residue number 132 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: 0.4979 kcal/mol, Difference in average    
                       score from the base case: -0.0549                                           (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 132 from chain A (isoleucine) into        
                       lysine: Energy difference: -0.0412 kcal/mol, Difference in average score    
                       from the base case: -0.0468                                                 (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 132 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: 0.6077 kcal/mol, Difference in average    
                       score from the base case: -0.0536                                           (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 132 from chain A (isoleucine) into        
                       arginine: Energy difference: 0.0836 kcal/mol, Difference in average score   
                       from the base case: -0.0493                                                 (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 283 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.9588 kcal/mol, Difference in average score from  
                       the base case: -0.0337                                                      (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 283 from chain A (leucine) into lysine:   
                       Energy difference: 0.6516 kcal/mol, Difference in average score from the    
                       base case: -0.0299                                                          (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 283 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.0825 kcal/mol, Difference in average score from  
                       the base case: -0.0241                                                      (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 283 from chain A (leucine) into arginine: 
                       Energy difference: 0.6310 kcal/mol, Difference in average score from the    
                       base case: -0.0410                                                          (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 265 from chain A (tyrosine) into glutamic 
                       acid: Energy difference: 2.2506 kcal/mol, Difference in average score from  
                       the base case: -0.0093                                                      (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 265 from chain A (tyrosine) into lysine:  
                       Energy difference: 0.9609 kcal/mol, Difference in average score from the    
                       base case: -0.0158                                                          (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 265 from chain A (tyrosine) into aspartic 
                       acid: Energy difference: 3.3808 kcal/mol, Difference in average score from  
                       the base case: -0.0055                                                      (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 265 from chain A (tyrosine) into          
                       arginine: Energy difference: 1.1927 kcal/mol, Difference in average score   
                       from the base case: -0.0205                                                 (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 14 from chain A (valine) into glutamic    
                       acid: Energy difference: -0.1892 kcal/mol, Difference in average score from 
                       the base case: -0.0249                                                      (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 14 from chain A (valine) into lysine:     
                       Energy difference: -0.4823 kcal/mol, Difference in average score from the   
                       base case: -0.0253                                                          (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 14 from chain A (valine) into aspartic    
                       acid: Energy difference: -0.5176 kcal/mol, Difference in average score from 
                       the base case: -0.0233                                                      (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 14 from chain A (valine) into arginine:   
                       Energy difference: -0.5660 kcal/mol, Difference in average score from the   
                       base case: -0.0356                                                          (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 275 from chain A (leucine) into glutamic  
                       acid: Energy difference: 1.2199 kcal/mol, Difference in average score from  
                       the base case: -0.0361                                                      (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 275 from chain A (leucine) into lysine:   
                       Energy difference: -0.0889 kcal/mol, Difference in average score from the   
                       base case: -0.0376                                                          (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 275 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.5886 kcal/mol, Difference in average score from  
                       the base case: -0.0353                                                      (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 275 from chain A (leucine) into arginine: 
                       Energy difference: 0.0786 kcal/mol, Difference in average score from the    
                       base case: -0.0396                                                          (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 276 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: 0.1780 kcal/mol, Difference in average    
                       score from the base case: -0.0476                                           (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 276 from chain A (isoleucine) into        
                       lysine: Energy difference: 0.0053 kcal/mol, Difference in average score     
                       from the base case: -0.0463                                                 (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 276 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: 0.1866 kcal/mol, Difference in average    
                       score from the base case: -0.0501                                           (00:11:06)
[INFO]       AutoMut:  Effect of mutation residue number 276 from chain A (isoleucine) into        
                       arginine: Energy difference: -0.1307 kcal/mol, Difference in average score  
                       from the base case: -0.0483                                                 (00:11:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:15)
Show buried residues
Minimal score value
-3.7915
Maximal score value
1.5828
Average score
-0.7734
Total score value
-220.4163
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
14 V A 1.2957
15 E A -0.3044
16 F A 0.7641
17 V A 1.1260
18 R A -0.9478
19 T A -0.3915
20 G A -0.6724
21 Y A -0.3166
22 G A -1.2799
23 K A -1.7036
24 D A -1.8635
25 M A -0.5700
26 V A 0.0000
27 K A -1.5648
28 V A -0.1092
29 L A 0.8887
30 H A -0.0148
31 I A -0.0950
32 Q A -2.2155
33 R A -3.4669
34 D A -3.3774
35 G A -2.5655
36 K A -2.5717
37 Y A -1.7150
38 H A -1.9569
39 S A -1.2125
40 I A -0.1860
41 K A -0.1097
42 E A 0.0701
43 V A 0.0000
44 A A 0.0000
45 T A 0.0000
46 S A -1.1350
47 V A 0.0000
48 Q A -1.0095
49 L A 0.0000
50 T A -0.4405
51 L A 0.0000
52 S A -0.5545
53 S A -0.2917
54 K A -0.2779
55 K A -0.7529
56 D A -0.8656
57 Y A 0.8246
58 L A 1.0379
59 H A -0.8179
60 G A -1.2212
61 D A -1.8577
62 N A -2.0851
63 S A -1.2952
64 D A -1.0062
65 I A -0.6060
66 I A 0.0000
67 P A -1.2227
68 T A -1.7201
69 D A -2.5832
70 T A -1.7997
71 I A 0.0000
72 K A -2.5139
73 N A -2.0792
74 T A -1.2348
75 V A 0.0000
76 H A -0.8767
77 V A -0.2512
78 L A 0.0000
79 A A 0.0000
80 K A -0.9503
81 F A 0.5533
82 K A -1.1764
83 G A 0.0000
84 I A 0.0000
85 K A -2.2179
86 S A -1.4568
87 I A 0.0000
88 E A 0.0000
89 A A -0.5476
90 F A 0.0000
91 A A 0.0000
92 M A -0.6684
93 N A -1.0915
94 I A 0.0000
95 C A 0.0000
96 E A -1.7898
97 H A -1.0555
98 F A 0.0000
99 L A -0.8846
100 S A -1.0378
101 S A -0.6765
102 F A -0.4258
103 N A -1.3091
104 H A -0.8344
105 V A 0.0000
106 I A -0.1313
107 R A -0.3375
108 A A 0.0000
109 Q A -0.6814
110 V A 0.0000
111 Y A -0.4259
112 V A 0.0000
113 E A -0.9080
114 E A -0.6264
115 V A -0.3738
116 P A -0.0965
117 W A 0.4604
118 K A -0.3406
119 R A -0.6282
120 F A -0.3578
121 E A -2.5962
122 K A -3.0335
123 N A -2.4466
124 G A -1.5652
125 V A -0.6426
126 K A -2.2665
127 H A -1.4558
128 V A -1.2161
129 H A -1.3421
130 A A -0.1265
131 F A 0.5799
132 I A 1.5828
133 H A 0.3649
134 T A 0.0204
135 P A -0.7576
136 T A -0.9043
137 G A 0.0000
138 T A -0.7516
139 H A 0.0000
140 F A 0.0000
141 C A 0.0000
142 E A -0.6313
143 V A 0.0000
144 E A -0.8840
145 Q A 0.0000
146 M A -0.0347
147 K A -0.9869
148 S A -0.5365
149 G A -0.3594
150 P A -0.6525
151 P A -0.5310
152 V A -0.2516
153 I A 0.0000
154 H A -0.6532
155 S A 0.0000
156 G A 0.0000
157 I A 0.0000
158 K A -1.5460
159 D A -2.2690
160 L A 0.0000
161 K A -2.0636
162 V A -0.3889
163 L A 0.6230
164 K A 0.1974
165 T A -0.2832
166 T A -1.1036
167 Q A -1.6277
168 S A 0.0000
169 G A 0.0000
170 F A -0.9183
171 E A -1.4640
172 G A -0.7151
173 F A 0.0801
174 I A 0.6653
175 K A -1.3088
176 D A -1.6826
177 Q A -1.1385
178 F A 0.6850
179 T A 0.1366
180 T A 0.0591
181 L A 0.8233
182 P A -0.4127
183 E A -1.6894
184 V A -1.5452
185 K A -2.6420
186 D A -2.7422
187 R A -1.5717
188 C A -0.1381
189 F A 0.0000
190 A A 0.0000
191 T A 0.0000
192 Q A -1.5641
193 V A 0.0000
194 Y A -0.6237
195 C A 0.0000
196 K A -0.6085
197 W A 0.0000
198 R A -1.3137
199 Y A 0.0000
200 H A -2.5008
201 Q A -2.8772
202 G A -2.5608
203 R A -3.7915
204 D A -3.3462
205 V A -2.6857
206 D A -2.7133
207 F A 0.0000
208 E A -2.4668
209 A A -1.7788
210 T A 0.0000
211 W A -1.8591
212 D A -2.7371
213 T A -2.1008
214 V A 0.0000
215 R A -2.1668
216 D A -2.9359
217 I A 0.0000
218 V A 0.0000
219 L A -1.3353
220 K A -2.4408
221 K A -1.7542
222 F A 0.0000
223 A A -0.8756
224 G A -1.6555
225 P A -1.3732
226 Y A -0.5418
227 D A -2.2479
228 K A -2.6712
229 G A -2.1497
230 E A -2.3540
231 Y A -0.9920
232 S A -1.0722
233 P A -1.1945
234 S A -0.9213
235 V A 0.0000
236 Q A -1.8327
237 K A -1.8532
238 T A 0.0000
239 L A 0.0000
240 Y A 0.6510
241 D A 0.1894
242 I A 0.0000
243 Q A 0.0000
244 V A 1.1283
245 L A 0.5853
246 S A 0.0000
247 L A 0.0000
248 S A -0.7171
249 R A -1.7565
250 V A 0.0000
251 P A -1.3615
252 E A -2.2076
253 I A 0.0000
254 E A -2.3643
255 D A -1.9026
256 M A 0.0000
257 E A -0.7241
258 I A 0.0000
259 S A -0.7037
260 L A 0.0000
261 P A 0.0000
262 N A -0.3977
263 I A -0.3386
264 H A 0.1991
265 Y A 1.3256
266 F A 1.1028
267 N A -1.2414
268 I A -0.3668
269 D A -1.5415
270 M A -0.3235
271 S A -0.4249
272 K A -1.3538
273 M A 0.2127
274 G A 0.1811
275 L A 1.2813
276 I A 1.1549
277 N A -1.0236
278 K A -2.8532
279 E A -3.4043
280 E A -2.4572
281 V A -0.3837
282 L A 0.3335
283 L A 1.3655
284 P A 0.3730
285 L A -0.3797
286 D A -2.0716
287 N A -1.9895
288 P A -1.3084
289 Y A -0.5752
290 G A -0.8152
291 K A -1.6508
292 I A -0.9418
293 T A -0.5820
294 G A -0.1422
295 T A -0.4405
296 V A -0.6903
297 K A -2.6181
298 R A -2.7745
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
VR14A -0.566 -0.0356 View CSV PDB
IR276A -0.1307 -0.0483 View CSV PDB
IK132A -0.0412 -0.0468 View CSV PDB
VK14A -0.4823 -0.0253 View CSV PDB
LK275A -0.0889 -0.0376 View CSV PDB
IK276A 0.0053 -0.0463 View CSV PDB
IR132A 0.0836 -0.0493 View CSV PDB
LR275A 0.0786 -0.0396 View CSV PDB
LR283A 0.631 -0.041 View CSV PDB
LK283A 0.6516 -0.0299 View CSV PDB
YR265A 1.1927 -0.0205 View CSV PDB
YK265A 0.9609 -0.0158 View CSV PDB