Project name: a9f3aad3da8abe9

Status: done

Started: 2026-04-03 08:47:51
Settings
Chain sequence(s) A: AFPDCANGPLKSNLVCNASADPVSRAKALVDALTLEELVNNTVNASPGVPRVGLPPYNWWSEALHGVARSPGANFSTVPGSPFSSATSFPQPIILGATFDDDLIHSIATVISTEARAFNNAGRAGLDFFTPNINPFKDPRWGRGQETPGEDPYHIAQYVYQLITGLQGGLSPDPYYKVVADCKHFAGYDLEDWHGNNRMAFNAVISTQDLAEFYTPSFQSCVRDAHVGSVMCSYNAVNGVPSCASPYLLQDLIRDHFGLGDGWITSDCDAVDNVFDPHNYTSTLVNASAVSLKAGTDVDCGTTYSQTLVDAVNQKLVTEDDVKTSMVRLYSSLVRLGYFDSPENQPWRQLGWADVNTPSAQALALTAAEEGVVLLKNDGTLPLSRRRRIKHIAVVGPWANATTQMQGNYQGIAPFLISPLQALQDAGFHVSFANGTAINSTDTSGFASALMAAKAADAIVFAGGIDETIESEGHDRDSIEWPGNQLDLIEQLAALRKPLIVLQMGGGQVDSSSLKASKAVNALLWGGYPGQSGGTAIVNILTGKTAPSGRLPITQYPAAYVDAIPMTDMALRPSSSSPGRTYKWYTGTPVFDFGFGLHYTSFKLSWAASPPSRFDISSLVAGAKHAGVAFTDLAPLFTFHVAVKNSGKVTSDYVALLFAHTTVGPSPAPQQELVAYTRVKGITPGRTATAALSVTLGSIARVDESGVRSLYPGKYSVWVDTTREIMHTFELTGKTTQILGWPQPR
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations Yes
Downloads Download all the data
Simulation log 
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:30)
[INFO]       Auto_mut: Residue number 78 from chain A and a score of 1.462 (valine) selected for   
                       automated muatation                                                         (00:07:36)
[INFO]       Auto_mut: Residue number 628 from chain A and a score of 0.973 (phenylalanine)        
                       selected for automated muatation                                            (00:07:36)
[INFO]       Auto_mut: Residue number 204 from chain A and a score of 0.909 (valine) selected for  
                       automated muatation                                                         (00:07:36)
[INFO]       Auto_mut: Residue number 413 from chain A and a score of 0.782 (phenylalanine)        
                       selected for automated muatation                                            (00:07:36)
[INFO]       Auto_mut: Residue number 631 from chain A and a score of 0.776 (leucine) selected for 
                       automated muatation                                                         (00:07:36)
[INFO]       Auto_mut: Residue number 430 from chain A and a score of 0.671 (phenylalanine)        
                       selected for automated muatation                                            (00:07:36)
[INFO]       Auto_mut: Mutating residue number 78 from chain A (valine) into glutamic acid         (00:07:36)
[INFO]       Auto_mut: Mutating residue number 78 from chain A (valine) into aspartic acid         (00:07:36)
[INFO]       Auto_mut: Mutating residue number 628 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 628 from chain A (phenylalanine) into glutamic acid (00:07:36)
[INFO]       Auto_mut: Mutating residue number 78 from chain A (valine) into arginine              (00:10:52)
[INFO]       Auto_mut: Mutating residue number 78 from chain A (valine) into lysine                (00:10:59)
[INFO]       Auto_mut: Mutating residue number 628 from chain A (phenylalanine) into lysine        (00:11:15)
[INFO]       Auto_mut: Mutating residue number 628 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 628 from chain A (phenylalanine) into aspartic acid (00:14:28)
[INFO]       Auto_mut: Mutating residue number 204 from chain A (valine) into glutamic acid        (00:14:29)
[INFO]       Auto_mut: Mutating residue number 204 from chain A (valine) into aspartic acid        (00:14:46)
[INFO]       Auto_mut: Mutating residue number 628 from chain A (phenylalanine) into arginine      (00:17:53)
[INFO]       Auto_mut: Mutating residue number 204 from chain A (valine) into lysine               (00:17:56)
[INFO]       Auto_mut: Mutating residue number 204 from chain A (valine) into arginine             (00:18:07)
[INFO]       Auto_mut: Mutating residue number 413 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 413 from chain A (phenylalanine) into glutamic acid (00:21:21)
[INFO]       Auto_mut: Mutating residue number 413 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 413 from chain A (phenylalanine) into aspartic acid (00:21:31)
[INFO]       Auto_mut: Mutating residue number 631 from chain A (leucine) into glutamic acid       (00:21:38)
[INFO]       Auto_mut: Mutating residue number 413 from chain A (phenylalanine) into lysine        (00:24:49)
[INFO]       Auto_mut: Mutating residue number 413 from chain A (phenylalanine) into arginine      (00:24:54)
[INFO]       Auto_mut: Mutating residue number 631 from chain A (leucine) into lysine              (00:25:14)
[INFO]       Auto_mut: Mutating residue number 631 from chain A (leucine) into aspartic acid       (00:28:30)
[INFO]       Auto_mut: Mutating residue number 430 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 430 from chain A (phenylalanine) into glutamic acid (00:28:45)
[INFO]       Auto_mut: Mutating residue number 430 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 430 from chain A (phenylalanine) into aspartic acid (00:28:58)
[INFO]       Auto_mut: Mutating residue number 631 from chain A (leucine) into arginine            (00:32:22)
[INFO]       Auto_mut: Mutating residue number 430 from chain A (phenylalanine) into lysine        (00:32:27)
[INFO]       Auto_mut: Mutating residue number 430 from chain A (phenylalanine) into arginine      (00:32:33)
[INFO]       Auto_mut: Effect of mutation residue number 78 from chain A (valine) into glutamic    
                       acid: Energy difference: -0.2050 kcal/mol, Difference in average score from 
                       the base case: -0.0130                                                      (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 78 from chain A (valine) into lysine:     
                       Energy difference: -0.2315 kcal/mol, Difference in average score from the   
                       base case: -0.0129                                                          (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 78 from chain A (valine) into aspartic    
                       acid: Energy difference: -0.1942 kcal/mol, Difference in average score from 
                       the base case: -0.0135                                                      (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 78 from chain A (valine) into arginine:   
                       Energy difference: -0.2246 kcal/mol, Difference in average score from the   
                       base case: -0.0129                                                          (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 628 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 3.3674 kcal/mol, Difference in average    
                       score from the base case: -0.0079                                           (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 628 from chain A (phenylalanine) into     
                       lysine: Energy difference: 3.2842 kcal/mol, Difference in average score     
                       from the base case: -0.0093                                                 (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 628 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 3.7188 kcal/mol, Difference in average    
                       score from the base case: -0.0074                                           (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 628 from chain A (phenylalanine) into     
                       arginine: Energy difference: 3.4018 kcal/mol, Difference in average score   
                       from the base case: -0.0129                                                 (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 204 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.5470 kcal/mol, Difference in average score from 
                       the base case: -0.0093                                                      (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 204 from chain A (valine) into lysine:    
                       Energy difference: -0.2484 kcal/mol, Difference in average score from the   
                       base case: -0.0084                                                          (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 204 from chain A (valine) into aspartic   
                       acid: Energy difference: -1.0286 kcal/mol, Difference in average score from 
                       the base case: -0.0097                                                      (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 204 from chain A (valine) into arginine:  
                       Energy difference: -0.6452 kcal/mol, Difference in average score from the   
                       base case: -0.0083                                                          (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 413 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 2.1558 kcal/mol, Difference in average    
                       score from the base case: -0.0064                                           (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 413 from chain A (phenylalanine) into     
                       lysine: Energy difference: 1.4889 kcal/mol, Difference in average score     
                       from the base case: -0.0034                                                 (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 413 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 1.7684 kcal/mol, Difference in average    
                       score from the base case: -0.0088                                           (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 413 from chain A (phenylalanine) into     
                       arginine: Energy difference: 0.3872 kcal/mol, Difference in average score   
                       from the base case: -0.0036                                                 (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 631 from chain A (leucine) into glutamic  
                       acid: Energy difference: 2.0758 kcal/mol, Difference in average score from  
                       the base case: -0.0052                                                      (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 631 from chain A (leucine) into lysine:   
                       Energy difference: 0.8361 kcal/mol, Difference in average score from the    
                       base case: -0.0020                                                          (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 631 from chain A (leucine) into aspartic  
                       acid: Energy difference: 2.4808 kcal/mol, Difference in average score from  
                       the base case: -0.0052                                                      (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 631 from chain A (leucine) into arginine: 
                       Energy difference: 1.1346 kcal/mol, Difference in average score from the    
                       base case: -0.0002                                                          (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 430 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 2.2492 kcal/mol, Difference in average    
                       score from the base case: -0.0084                                           (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 430 from chain A (phenylalanine) into     
                       lysine: Energy difference: 1.5102 kcal/mol, Difference in average score     
                       from the base case: -0.0085                                                 (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 430 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 2.5942 kcal/mol, Difference in average    
                       score from the base case: -0.0123                                           (00:35:55)
[INFO]       Auto_mut: Effect of mutation residue number 430 from chain A (phenylalanine) into     
                       arginine: Energy difference: 1.9382 kcal/mol, Difference in average score   
                       from the base case: -0.0128                                                 (00:35:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:36:07)
Show buried residues
Minimal score value
-3.2391
Maximal score value
1.462
Average score
-0.5121
Total score value
-380.463
Download the table (csv)

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 A A -0.0618
2 F A 0.0472
3 P A -0.8723
4 D A -2.0178
5 C A -1.6514
6 A A -1.5712
7 N A -2.1701
8 G A -1.8138
9 P A -1.6646
10 L A 0.0000
11 K A -2.2827
12 S A -1.1397
13 N A -0.7592
14 L A -0.4717
15 V A 0.0000
16 C A -1.0254
17 N A -1.1099
18 A A -0.5898
19 S A -0.7156
20 A A -0.9397
21 D A -1.8343
22 P A -0.9965
23 V A -0.7527
24 S A -0.9000
25 R A 0.0000
26 A A 0.0000
27 K A -2.0992
28 A A -1.1130
29 L A 0.0000
30 V A 0.0000
31 D A -2.2963
32 A A -1.0782
33 L A 0.0000
34 T A -0.9639
35 L A -1.5274
36 E A -1.9053
37 E A -1.5277
38 L A 0.0000
39 V A 0.0000
40 N A -1.6829
41 N A 0.0000
42 T A 0.0000
43 V A 0.0000
44 N A 0.0000
45 A A -0.2565
46 S A 0.0000
47 P A -0.5248
48 G A 0.0000
49 V A 0.0000
50 P A -1.3092
51 R A -2.0960
52 V A 0.0000
53 G A -1.4338
54 L A 0.0000
55 P A -0.4759
56 P A -0.2959
57 Y A -0.0736
58 N A -0.3019
59 W A 0.0000
60 W A 0.1198
61 S A 0.0000
62 E A 0.0000
63 A A 0.0000
64 L A 0.0000
65 H A 0.0000
66 G A 0.0000
67 V A 0.0000
68 A A 0.0000
69 R A -2.0607
70 S A -1.1947
71 P A -0.8310
72 G A -0.9783
73 A A -1.5351
74 N A -1.8258
75 F A -0.5684
76 S A 0.1161
77 T A 0.5305
78 V A 1.4620
79 P A 0.4114
80 G A -0.1458
81 S A 0.1876
82 P A 0.0590
83 F A 0.0337
84 S A 0.0000
85 S A 0.0000
86 A A 0.0000
87 T A 0.0000
88 S A 0.0000
89 F A 0.0000
90 P A 0.0000
91 Q A 0.0000
92 P A 0.0000
93 I A 0.0000
94 I A 0.0000
95 L A 0.0000
96 G A 0.0000
97 A A 0.0000
98 T A 0.0000
99 F A 0.0000
100 D A -1.0893
101 D A -1.4615
102 D A -2.1988
103 L A 0.0000
104 I A 0.0000
105 H A -1.0824
106 S A -0.6710
107 I A 0.0000
108 A A 0.0000
109 T A -0.0925
110 V A -0.0039
111 I A 0.0000
112 S A 0.0000
113 T A -0.0316
114 E A 0.0000
115 A A 0.0000
116 R A 0.0000
117 A A 0.0000
118 F A 0.0000
119 N A -0.9093
120 N A -0.9601
121 A A -0.8307
122 G A -1.1727
123 R A -1.5704
124 A A 0.0000
125 G A 0.0000
126 L A 0.0000
127 D A 0.0000
128 F A 0.0000
129 F A 0.0000
130 T A 0.0000
131 P A 0.0000
132 N A 0.0000
133 I A 0.0000
134 N A 0.0000
135 P A 0.0000
136 F A 0.0000
137 K A 0.0000
138 D A 0.0000
139 P A 0.0000
140 R A 0.0000
141 W A 0.0000
142 G A 0.0000
143 R A 0.0000
144 G A 0.0000
145 Q A 0.0000
146 E A 0.0000
147 T A 0.0000
148 P A 0.0000
149 G A 0.0000
150 E A 0.0000
151 D A 0.0000
152 P A 0.0000
153 Y A 0.0926
154 H A 0.0000
155 I A 0.0000
156 A A -0.0949
157 Q A -0.3659
158 Y A 0.0000
159 V A 0.0000
160 Y A 0.0180
161 Q A -0.7366
162 L A 0.0000
163 I A 0.0000
164 T A 0.0000
165 G A 0.0000
166 L A 0.0000
167 Q A 0.0000
168 G A -0.4811
169 G A -0.5261
170 L A -0.0750
171 S A -0.7314
172 P A -1.1227
173 D A -1.9581
174 P A -1.2746
175 Y A -0.6504
176 Y A -0.3554
177 K A 0.0000
178 V A 0.0000
179 V A 0.0000
180 A A 0.0000
181 D A 0.0000
182 C A 0.0000
183 K A 0.0000
184 H A 0.0000
185 F A 0.0000
186 A A 0.0000
187 G A 0.0000
188 Y A 0.0000
189 D A 0.0000
190 L A 0.0000
191 E A 0.0000
192 D A -1.8533
193 W A 0.0000
194 H A -1.8958
195 G A -1.5345
196 N A -1.5226
197 N A -1.4484
198 R A -0.7657
199 M A -0.4526
200 A A -0.9027
201 F A 0.0000
202 N A -0.7820
203 A A 0.0000
204 V A 0.9094
205 I A 0.0000
206 S A -0.2979
207 T A -0.6805
208 Q A -1.0026
209 D A 0.0000
210 L A 0.0000
211 A A 0.0000
212 E A -0.5869
213 F A 0.0000
214 Y A 0.0000
215 T A 0.0000
216 P A -0.1277
217 S A 0.0000
218 F A 0.0000
219 Q A -0.3835
220 S A 0.0000
221 C A 0.0000
222 V A 0.0000
223 R A 0.0000
224 D A -0.1049
225 A A 0.0000
226 H A -0.7117
227 V A 0.0000
228 G A -0.6452
229 S A 0.0000
230 V A 0.0000
231 M A 0.0000
232 C A 0.0000
233 S A 0.0000
234 Y A -0.0654
235 N A 0.0000
236 A A 0.0000
237 V A 0.0000
238 N A -0.9246
239 G A -0.6190
240 V A -0.1146
241 P A 0.0000
242 S A 0.0000
243 C A 0.0000
244 A A 0.0000
245 S A 0.0000
246 P A -0.7467
247 Y A -0.9824
248 L A 0.0000
249 L A 0.0000
250 Q A -1.3419
251 D A -1.5946
252 L A 0.0000
253 I A 0.0000
254 R A 0.0000
255 D A -2.3427
256 H A -1.4479
257 F A 0.0000
258 G A -1.7905
259 L A 0.0000
260 G A -1.9483
261 D A -2.0342
262 G A -1.2587
263 W A 0.0000
264 I A 0.0000
265 T A 0.0000
266 S A 0.0000
267 D A 0.0000
268 C A -0.2724
269 D A -0.7830
270 A A 0.0000
271 V A 0.0000
272 D A -1.1720
273 N A -1.0927
274 V A 0.0000
275 F A -0.8511
276 D A -2.0051
277 P A -1.4554
278 H A -1.1322
279 N A -1.4711
280 Y A -0.0934
281 T A -0.2128
282 S A -0.4471
283 T A -0.1982
284 L A -0.0600
285 V A -0.2525
286 N A -0.1283
287 A A 0.0000
288 S A 0.0000
289 A A 0.0000
290 V A -0.1765
291 S A 0.0000
292 L A 0.0000
293 K A -1.6965
294 A A 0.0000
295 G A 0.0000
296 T A 0.0000
297 D A 0.0000
298 V A 0.0000
299 D A 0.0000
300 C A 0.0000
301 G A -0.4959
302 T A -0.7328
303 T A 0.0000
304 Y A 0.0000
305 S A -1.3353
306 Q A -1.4735
307 T A 0.0000
308 L A 0.0000
309 V A -1.7422
310 D A -2.3819
311 A A 0.0000
312 V A 0.0000
313 N A -2.7537
314 Q A -2.5364
315 K A -2.6915
316 L A -1.3894
317 V A 0.0000
318 T A -2.3513
319 E A -2.9115
320 D A -2.8924
321 D A -2.3534
322 V A 0.0000
323 K A -2.3159
324 T A -1.6414
325 S A 0.0000
326 M A 0.0000
327 V A -1.0389
328 R A -0.9841
329 L A 0.0000
330 Y A 0.0000
331 S A -0.7845
332 S A -0.4260
333 L A 0.0000
334 V A 0.0000
335 R A -0.8262
336 L A 0.0000
337 G A 0.0000
338 Y A 0.0000
339 F A 0.0000
340 D A 0.0000
341 S A -1.2405
342 P A -1.7585
343 E A -2.8091
344 N A -2.4749
345 Q A 0.0000
346 P A -1.2245
347 W A -0.5821
348 R A -1.4011
349 Q A -1.8123
350 L A -0.6418
351 G A -0.4409
352 W A 0.0297
353 A A -0.1393
354 D A -0.6405
355 V A 0.0000
356 N A -0.5156
357 T A -0.4931
358 P A -0.5702
359 S A -0.3541
360 A A 0.0000
361 Q A -0.3214
362 A A -0.0781
363 L A 0.1289
364 A A 0.0000
365 L A 0.2059
366 T A 0.0396
367 A A 0.0000
368 A A 0.0000
369 E A -0.2532
370 E A -0.3060
371 G A 0.0000
372 V A 0.0000
373 V A 0.0000
374 L A 0.0000
375 L A 0.0000
376 K A -1.0187
377 N A -1.4706
378 D A -2.3012
379 G A -1.4081
380 T A -0.9024
381 L A 0.0000
382 P A -0.9464
383 L A 0.0000
384 S A -1.9223
385 R A -3.0416
386 R A -3.2391
387 I A -2.4801
388 K A -2.9297
389 H A -1.7018
390 I A 0.0000
391 A A 0.0000
392 V A 0.0000
393 V A 0.0000
394 G A 0.0000
395 P A -0.6695
396 W A 0.0000
397 A A 0.0000
398 N A -0.8540
399 A A 0.0000
400 T A -0.1158
401 T A -0.1203
402 Q A -0.7754
403 M A 0.0000
404 Q A 0.0000
405 G A 0.0000
406 N A -0.8844
407 Y A -0.4967
408 Q A -0.6500
409 G A -0.6066
410 I A 0.3458
411 A A 0.4166
412 P A 0.2104
413 F A 0.7823
414 L A 0.5702
415 I A 0.1942
416 S A 0.0000
417 P A 0.0000
418 L A -0.5884
419 Q A -1.4354
420 A A 0.0000
421 L A 0.0000
422 Q A -2.3800
423 D A -2.5148
424 A A -1.5806
425 G A -1.8283
426 F A -1.6678
427 H A -1.5830
428 V A -0.5821
429 S A 0.5020
430 F A 0.6706
431 A A 0.0000
432 N A -1.1605
433 G A 0.0000
434 T A 0.0000
435 A A -0.9723
436 I A -0.6711
437 N A -1.6548
438 S A -1.4278
439 T A -1.4078
440 D A -2.1617
441 T A -1.2449
442 S A -0.7808
443 G A -0.6873
444 F A -0.4310
445 A A 0.3008
446 S A 0.0991
447 A A 0.0000
448 L A 0.1656
449 M A 0.6694
450 A A 0.3613
451 A A 0.0000
452 K A -1.3323
453 A A -0.7427
454 A A 0.0000
455 D A -1.8245
456 A A 0.0000
457 I A 0.0000
458 V A 0.0000
459 F A 0.0000
460 A A 0.0000
461 G A 0.0000
462 G A 0.0000
463 I A 0.0000
464 D A 0.0000
465 E A -2.0795
466 T A -1.1432
467 I A -0.9393
468 E A 0.0000
469 S A -1.3614
470 E A -1.4953
471 G A -1.3737
472 H A -1.9736
473 D A 0.0000
474 R A 0.0000
475 D A -2.4270
476 S A -1.6209
477 I A 0.0000
478 E A -1.9398
479 W A 0.0000
480 P A -1.0367
481 G A -1.7269
482 N A -1.4205
483 Q A 0.0000
484 L A -1.3938
485 D A -2.5017
486 L A 0.0000
487 I A 0.0000
488 E A -2.6486
489 Q A -2.0054
490 L A 0.0000
491 A A 0.0000
492 A A -1.1331
493 L A -1.2715
494 R A -2.1285
495 K A -1.5566
496 P A -0.8093
497 L A 0.0000
498 I A 0.0000
499 V A 0.0000
500 L A 0.0000
501 Q A 0.0000
502 M A 0.0000
503 G A 0.0000
504 G A 0.0000
505 G A 0.0000
506 Q A 0.0000
507 V A 0.0000
508 D A -1.0305
509 S A 0.0000
510 S A -0.8898
511 S A -0.7907
512 L A 0.0000
513 K A -1.6775
514 A A -1.0464
515 S A -1.5309
516 K A -2.3721
517 A A -1.7946
518 V A 0.0000
519 N A -1.7050
520 A A 0.0000
521 L A 0.0000
522 L A 0.0000
523 W A 0.0000
524 G A 0.0000
525 G A 0.0000
526 Y A 0.0000
527 P A 0.0000
528 G A 0.0000
529 Q A 0.0000
530 S A 0.0000
531 G A 0.0000
532 G A 0.0000
533 T A -0.2481
534 A A 0.0000
535 I A 0.0000
536 V A 0.0000
537 N A -0.8789
538 I A 0.0000
539 L A 0.0000
540 T A -0.9493
541 G A -1.1411
542 K A -1.8456
543 T A -1.0125
544 A A -0.4061
545 P A 0.0000
546 S A 0.0000
547 G A 0.0000
548 R A 0.0000
549 L A 0.0000
550 P A 0.0000
551 I A 0.0000
552 T A 0.0000
553 Q A 0.0000
554 Y A 0.0000
555 P A -0.3975
556 A A -0.7863
557 A A -0.6889
558 Y A 0.0000
559 V A -1.1602
560 D A -1.8615
561 A A -0.8479
562 I A 0.0000
563 P A -0.7116
564 M A 0.0000
565 T A -0.3160
566 D A -0.1663
567 M A 0.0000
568 A A 0.0114
569 L A 0.0000
570 R A -0.4231
571 P A -0.4886
572 S A -0.5339
573 S A -0.4544
574 S A -0.4784
575 S A 0.0000
576 P A -0.2869
577 G A 0.0000
578 R A 0.0000
579 T A 0.0000
580 Y A 0.0000
581 K A 0.0000
582 W A 0.0000
583 Y A -0.2099
584 T A -0.3352
585 G A -0.2754
586 T A -0.3191
587 P A -0.4113
588 V A 0.0000
589 F A 0.0000
590 D A -0.6950
591 F A 0.0000
592 G A 0.0000
593 F A 0.1164
594 G A 0.1422
595 L A 0.3025
596 H A 0.1432
597 Y A -0.1117
598 T A -0.2303
599 S A -0.7256
600 F A -1.0927
601 K A -2.0100
602 L A 0.0000
603 S A -0.5415
604 W A 0.1509
605 A A -0.0523
606 A A -0.1427
607 S A -0.2626
608 P A -0.4706
609 P A -0.8449
610 S A -1.3785
611 R A -2.5262
612 F A -1.3664
613 D A -1.5196
614 I A 0.0000
615 S A -0.7497
616 S A -0.4072
617 L A -0.3154
618 V A -0.5891
619 A A -0.7086
620 G A -1.1664
621 A A 0.0000
622 K A -2.0213
623 H A -1.8996
624 A A -0.9253
625 G A -0.5078
626 V A 0.3818
627 A A 0.5653
628 F A 0.9730
629 T A 0.1761
630 D A 0.0000
631 L A 0.7764
632 A A 0.0000
633 P A -0.0562
634 L A 0.0000
635 F A 0.0000
636 T A -0.2680
637 F A 0.0000
638 H A -0.4625
639 V A 0.0000
640 A A -0.6851
641 V A 0.0000
642 K A -1.9428
643 N A 0.0000
644 S A -1.5143
645 G A -1.3436
646 K A -1.5209
647 V A -0.2686
648 T A -0.6488
649 S A 0.0000
650 D A 0.0000
651 Y A 0.0000
652 V A 0.0000
653 A A 0.0000
654 L A 0.0000
655 L A 0.0000
656 F A 0.0000
657 A A 0.0000
658 H A -0.8653
659 T A 0.0000
660 T A -0.6210
661 V A -0.3350
662 G A -0.1824
663 P A -0.6079
664 S A -0.6113
665 P A -0.5792
666 A A -0.5783
667 P A 0.0000
668 Q A -1.2448
669 Q A -0.9190
670 E A -0.6896
671 L A 0.0000
672 V A 0.0000
673 A A 0.0000
674 Y A -0.0078
675 T A -0.4861
676 R A -0.9102
677 V A -0.8467
678 K A -1.8174
679 G A -1.2433
680 I A 0.0000
681 T A -1.2705
682 P A -1.4116
683 G A -1.6944
684 R A -2.3171
685 T A -1.5748
686 A A -0.9263
687 T A -0.2076
688 A A 0.0000
689 A A -0.1924
690 L A 0.0000
691 S A -0.2764
692 V A 0.0000
693 T A -0.0441
694 L A 0.0000
695 G A 0.1177
696 S A -0.0727
697 I A 0.0000
698 A A 0.0000
699 R A 0.0000
700 V A 0.0000
701 D A -1.3117
702 E A -2.1027
703 S A -1.3398
704 G A 0.0000
705 V A -0.7639
706 R A -0.7113
707 S A 0.0000
708 L A 0.0000
709 Y A -0.8113
710 P A -1.1370
711 G A -1.1789
712 K A -2.2910
713 Y A 0.0000
714 S A -0.5695
715 V A 0.0000
716 W A 0.0000
717 V A 0.0000
718 D A 0.0000
719 T A -0.7260
720 T A -1.0263
721 R A -1.6846
722 E A -1.4866
723 I A -0.5391
724 M A 0.0388
725 H A -0.0012
726 T A -0.8532
727 F A 0.0000
728 E A -2.3398
729 L A 0.0000
730 T A -1.6227
731 G A -1.5042
732 K A -2.1823
733 T A -1.2729
734 T A -1.1556
735 Q A -1.3314
736 I A 0.0000
737 L A -0.0719
738 G A -0.4207
739 W A 0.0000
740 P A -1.2446
741 Q A -1.7520
742 P A -1.8032
743 R A -2.2320
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Automated mutations analysis

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
VD204A -1.0286 -0.0097 View CSV PDB
VE204A -0.547 -0.0093 View CSV PDB
VK78A -0.2315 -0.0129 View CSV PDB
VD78A -0.1942 -0.0135 View CSV PDB
FR413A 0.3872 -0.0036 View CSV PDB
FR430A 1.9382 -0.0128 View CSV PDB
FK430A 1.5102 -0.0085 View CSV PDB
FD413A 1.7684 -0.0088 View CSV PDB
FR628A 3.4018 -0.0129 View CSV PDB
FK628A 3.2842 -0.0093 View CSV PDB
LE631A 2.0758 -0.0052 View CSV PDB
LK631A 0.8361 -0.002 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018