Project name: gdh

Status: done

Started: 2026-07-27 08:40:07
Settings
Chain sequence(s) A: MTLFRQSKSWPGLASAALLAVSSVADAYVIPRQINSSELLTSYDYVIVGGGTAGLTVADRLTEDPETKVLVLEAADWGNMDNNLMAYVAGRTGAFTDILWPGLQSVPQPGLNGRTGNVFIAKQVGGGSSVNAMMNMRGSAEDYDRWASLFGSAAQQGTADWSWDGILPFFKKGLHFTEPPPELTDNFPSVKTDASYWGDSSDIYAGWPRFYYPGVNPLVEAFKEVEGVEFPPDSGAGQPGVFWFPALMDPRTVTRSYAGTGHYLNVNATRPNYHLLVNTQARKLLLNDELVATGVEFPVGNALVTVSAKKEVIVSAGAIHTPQLLQLSGIGPKKLLEAAGIDVRVDLPGVGQNFQDHSSLSAVNITLHKLASIHPNPNDLVEGNEFKAWADEVWAANKTGPYSLPFTNLAGWLPFTVVSDKAEELAAKLEAQDPASLLQEGADPTVVAGFAAQMKILASQMRSKDTAFTRYQLVPAQGAQGPVAMQSFSRGTVNINAEDPWGSEPVIDYRVLSNPVEADFFVESIRFLRRYNFETSLAKEFDPVEYAPGPEVVSDEDLKAYIADTLSPTDYHPVGTSSMLPLELGGVVDQTLRVYGVKNLRVVDASVMPMVPSANTCQPTYALAEKAAEIIKQSI
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                                          (00:07:37)
[INFO]       Auto_mut: Residue number 30 from chain A and a score of 3.070 (isoleucine) selected   
                       for automated muatation                                                     (00:07:46)
[INFO]       Auto_mut: Residue number 29 from chain A and a score of 2.951 (valine) selected for   
                       automated muatation                                                         (00:07:46)
[INFO]       Auto_mut: Residue number 19 from chain A and a score of 2.697 (leucine) selected for  
                       automated muatation                                                         (00:07:46)
[INFO]       Auto_mut: Residue number 18 from chain A and a score of 2.567 (leucine) selected for  
                       automated muatation                                                         (00:07:46)
[INFO]       Auto_mut: Residue number 21 from chain A and a score of 2.387 (valine) selected for   
                       automated muatation                                                         (00:07:46)
[INFO]       Auto_mut: Residue number 28 from chain A and a score of 2.273 (tyrosine) selected for 
                       automated muatation                                                         (00:07:46)
[INFO]       Auto_mut: Mutating residue number 30 from chain A (isoleucine) into glutamic acid     (00:07:46)
[INFO]       Auto_mut: Mutating residue number 29 from chain A (valine) into glutamic acid         (00:07:46)
[INFO]       Auto_mut: Mutating residue number 30 from chain A (isoleucine) into aspartic acid     (00:07:46)
[INFO]       Auto_mut: Mutating residue number 29 from chain A (valine) into lysine                (00:11:35)
[INFO]       Auto_mut: Mutating residue number 30 from chain A (isoleucine) into arginine          (00:11:40)
[INFO]       Auto_mut: Mutating residue number 30 from chain A (isoleucine) into lysine            (00:11:44)
[INFO]       Auto_mut: Mutating residue number 29 from chain A (valine) into aspartic acid         (00:15:20)
[INFO]       Auto_mut: Mutating residue number 19 from chain A (leucine) into glutamic acid        (00:15:25)
[INFO]       Auto_mut: Mutating residue number 19 from chain A (leucine) into aspartic acid        (00:15:41)
[INFO]       Auto_mut: Mutating residue number 19 from chain A (leucine) into lysine               (00:18:59)
[INFO]       Auto_mut: Mutating residue number 29 from chain A (valine) into arginine              (00:19:02)
[INFO]       Auto_mut: Mutating residue number 19 from chain A (leucine) into arginine             (00:19:24)
[INFO]       Auto_mut: Mutating residue number 18 from chain A (leucine) into glutamic acid        (00:22:38)
[INFO]       Auto_mut: Mutating residue number 18 from chain A (leucine) into aspartic acid        (00:22:42)
[INFO]       Auto_mut: Mutating residue number 21 from chain A (valine) into glutamic acid         (00:22:57)
[INFO]       Auto_mut: Mutating residue number 18 from chain A (leucine) into lysine               (00:26:32)
[INFO]       Auto_mut: Mutating residue number 18 from chain A (leucine) into arginine             (00:26:43)
[INFO]       Auto_mut: Mutating residue number 21 from chain A (valine) into lysine                (00:26:53)
[INFO]       Auto_mut: Mutating residue number 21 from chain A (valine) into aspartic acid         (00:30:08)
[INFO]       Auto_mut: Mutating residue number 28 from chain A (tyrosine) into glutamic acid       (00:30:11)
[INFO]       Auto_mut: Mutating residue number 28 from chain A (tyrosine) into aspartic acid       (00:30:31)
[INFO]       Auto_mut: Mutating residue number 28 from chain A (tyrosine) into lysine              (00:33:47)
[INFO]       Auto_mut: Mutating residue number 21 from chain A (valine) into arginine              (00:33:49)
[INFO]       Auto_mut: Mutating residue number 28 from chain A (tyrosine) into arginine            (00:34:11)
[INFO]       Auto_mut: Effect of mutation residue number 30 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: -0.0555 kcal/mol, Difference in average   
                       score from the base case: -0.0189                                           (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 30 from chain A (isoleucine) into lysine: 
                       Energy difference: -0.1415 kcal/mol, Difference in average score from the   
                       base case: -0.0189                                                          (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 30 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: -0.9406 kcal/mol, Difference in average   
                       score from the base case: -0.0206                                           (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 30 from chain A (isoleucine) into         
                       arginine: Energy difference: -1.1965 kcal/mol, Difference in average score  
                       from the base case: -0.0178                                                 (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 29 from chain A (valine) into glutamic    
                       acid: Energy difference: -0.6839 kcal/mol, Difference in average score from 
                       the base case: -0.0200                                                      (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 29 from chain A (valine) into lysine:     
                       Energy difference: -0.6679 kcal/mol, Difference in average score from the   
                       base case: -0.0194                                                          (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 29 from chain A (valine) into aspartic    
                       acid: Energy difference: -0.0088 kcal/mol, Difference in average score from 
                       the base case: -0.0204                                                      (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 29 from chain A (valine) into arginine:   
                       Energy difference: -0.7776 kcal/mol, Difference in average score from the   
                       base case: -0.0201                                                          (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 19 from chain A (leucine) into glutamic   
                       acid: Energy difference: -0.3087 kcal/mol, Difference in average score from 
                       the base case: -0.0164                                                      (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 19 from chain A (leucine) into lysine:    
                       Energy difference: -0.4139 kcal/mol, Difference in average score from the   
                       base case: -0.0159                                                          (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 19 from chain A (leucine) into aspartic   
                       acid: Energy difference: 0.2497 kcal/mol, Difference in average score from  
                       the base case: -0.0168                                                      (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 19 from chain A (leucine) into arginine:  
                       Energy difference: -0.6916 kcal/mol, Difference in average score from the   
                       base case: -0.0165                                                          (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 18 from chain A (leucine) into glutamic   
                       acid: Energy difference: -0.4928 kcal/mol, Difference in average score from 
                       the base case: -0.0166                                                      (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 18 from chain A (leucine) into lysine:    
                       Energy difference: -0.0364 kcal/mol, Difference in average score from the   
                       base case: -0.0167                                                          (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 18 from chain A (leucine) into aspartic   
                       acid: Energy difference: 0.2399 kcal/mol, Difference in average score from  
                       the base case: -0.0170                                                      (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 18 from chain A (leucine) into arginine:  
                       Energy difference: -0.0810 kcal/mol, Difference in average score from the   
                       base case: -0.0167                                                          (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 21 from chain A (valine) into glutamic    
                       acid: Energy difference: -0.8789 kcal/mol, Difference in average score from 
                       the base case: -0.0182                                                      (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 21 from chain A (valine) into lysine:     
                       Energy difference: -0.1613 kcal/mol, Difference in average score from the   
                       base case: -0.0183                                                          (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 21 from chain A (valine) into aspartic    
                       acid: Energy difference: -0.1161 kcal/mol, Difference in average score from 
                       the base case: -0.0186                                                      (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 21 from chain A (valine) into arginine:   
                       Energy difference: -0.2075 kcal/mol, Difference in average score from the   
                       base case: -0.0183                                                          (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 28 from chain A (tyrosine) into glutamic  
                       acid: Energy difference: 0.9243 kcal/mol, Difference in average score from  
                       the base case: -0.0158                                                      (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 28 from chain A (tyrosine) into lysine:   
                       Energy difference: 0.5231 kcal/mol, Difference in average score from the    
                       base case: -0.0155                                                          (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 28 from chain A (tyrosine) into aspartic  
                       acid: Energy difference: 1.2216 kcal/mol, Difference in average score from  
                       the base case: -0.0159                                                      (00:37:51)
[INFO]       Auto_mut: Effect of mutation residue number 28 from chain A (tyrosine) into arginine: 
                       Energy difference: -0.0512 kcal/mol, Difference in average score from the   
                       base case: -0.0155                                                          (00:37:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:38:04)
Show buried residues
Minimal score value
-3.6163
Maximal score value
3.0701
Average score
-0.5536
Total score value
-351.5228
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 M A 1.3381
2 T A 1.4572
3 L A 2.1475
4 F A 1.5310
5 R A -1.1914
6 Q A -1.9624
7 S A -2.1183
8 K A -1.9329
9 S A -0.5191
10 W A 0.5393
11 P A 0.3200
12 G A 0.4348
13 L A 1.2475
14 A A 0.6362
15 S A 0.1764
16 A A 0.3736
17 A A 1.1397
18 L A 2.5670
19 L A 2.6974
20 A A 1.9599
21 V A 2.3873
22 S A 1.1883
23 S A 0.7792
24 V A 1.3697
25 A A 0.1722
26 D A -0.6054
27 A A 1.2228
28 Y A 2.2732
29 V A 2.9511
30 I A 3.0701
31 P A 0.0000
32 R A -0.3593
33 Q A -0.8680
34 I A 0.0000
35 N A -2.2118
36 S A -1.1178
37 S A -1.4292
38 E A -2.1645
39 L A -0.7701
40 L A -0.0458
41 T A -0.0533
42 S A -0.6123
43 Y A 0.0000
44 D A -1.6895
45 Y A 0.0000
46 V A 0.0000
47 I A 0.0000
48 V A 0.0000
49 G A -0.3123
50 G A 0.0000
51 G A -0.2716
52 T A 0.0000
53 A A 0.0000
54 G A 0.0000
55 L A 0.0000
56 T A 0.0000
57 V A 0.0000
58 A A 0.0000
59 D A 0.0000
60 R A -1.3114
61 L A 0.0000
62 T A 0.0000
63 E A -2.9693
64 D A -3.1496
65 P A -2.4784
66 E A -2.8396
67 T A -2.1393
68 K A -1.9308
69 V A 0.0000
70 L A 0.0000
71 V A 0.0000
72 L A 0.0000
73 E A 0.0000
74 A A -1.3575
75 A A 0.0000
76 D A -2.0370
77 W A -1.0745
78 G A -1.6579
79 N A -1.8942
80 M A -1.0151
81 D A -1.9362
82 N A -1.2087
83 N A 0.0000
84 L A -0.1140
85 M A 0.0041
86 A A 0.0000
87 Y A 0.7061
88 V A 0.6184
89 A A 0.3044
90 G A -0.4059
91 R A -0.7833
92 T A -0.7282
93 G A -0.7871
94 A A -0.2829
95 F A 0.5188
96 T A -0.3249
97 D A -1.6737
98 I A -0.6797
99 L A 0.0000
100 W A -0.3375
101 P A -0.8113
102 G A -0.8577
103 L A -0.8172
104 Q A -1.5538
105 S A 0.0000
106 V A -0.2436
107 P A -0.9547
108 Q A 0.0000
109 P A -1.0610
110 G A -1.0932
111 L A 0.0000
112 N A -2.2500
113 G A -1.7325
114 R A -1.8350
115 T A -1.2820
116 G A 0.0000
117 N A -1.3559
118 V A 0.0000
119 F A 0.4253
120 I A 0.4179
121 A A -0.3089
122 K A -1.0202
123 Q A 0.0000
124 V A 0.0000
125 G A 0.0000
126 G A -0.2896
127 G A -0.1917
128 S A 0.0000
129 S A 0.0000
130 V A 0.2478
131 N A 0.1757
132 A A 0.5116
133 M A 0.0000
134 M A 0.4113
135 N A 0.0000
136 M A 0.0000
137 R A 0.0000
138 G A 0.0000
139 S A 0.0000
140 A A -1.1772
141 E A -1.5313
142 D A 0.0000
143 Y A 0.0000
144 D A -1.6357
145 R A 0.0000
146 W A 0.0000
147 A A 0.0000
148 S A -0.6465
149 L A 0.0000
150 F A -0.0624
151 G A -0.4864
152 S A -0.6837
153 A A -0.5481
154 A A -0.8928
155 Q A -1.8947
156 Q A -1.8546
157 G A -1.2809
158 T A -1.0130
159 A A -0.8625
160 D A -1.5609
161 W A 0.0000
162 S A 0.0000
163 W A -1.1738
164 D A -1.9618
165 G A -1.4364
166 I A 0.0000
167 L A -0.5472
168 P A -0.7315
169 F A -0.6864
170 F A 0.0000
171 K A -1.3985
172 K A -1.7768
173 G A 0.0000
174 L A 0.0000
175 H A -1.4607
176 F A -1.0961
177 T A -1.1353
178 E A -2.0941
179 P A -1.4128
180 P A -1.2419
181 P A -1.8085
182 E A -2.0561
183 L A 0.0000
184 T A -2.2544
185 D A -2.9072
186 N A -2.5533
187 F A 0.0000
188 P A -1.4662
189 S A -1.0974
190 V A 0.0000
191 K A -2.0606
192 T A -1.4742
193 D A -1.1215
194 A A -0.7911
195 S A -0.2919
196 Y A -0.0494
197 W A 0.0000
198 G A -1.5291
199 D A -2.3675
200 S A -1.6651
201 S A 0.0000
202 D A -1.3810
203 I A 0.0000
204 Y A -0.6236
205 A A 0.0000
206 G A 0.0000
207 W A 0.0000
208 P A 0.0000
209 R A -0.5541
210 F A -0.2478
211 Y A 0.0000
212 Y A 0.0000
213 P A -0.5343
214 G A 0.0000
215 V A 0.0000
216 N A -1.2552
217 P A -1.1411
218 L A 0.0000
219 V A 0.0000
220 E A -2.9263
221 A A 0.0000
222 F A 0.0000
223 K A -3.6019
224 E A -3.5459
225 V A -2.7646
226 E A -2.6826
227 G A -1.9661
228 V A -1.9020
229 E A -2.2182
230 F A -0.7123
231 P A 0.0000
232 P A -0.8530
233 D A 0.0000
234 S A 0.0000
235 G A 0.0000
236 A A -0.2849
237 G A 0.0000
238 Q A -1.7385
239 P A 0.0000
240 G A 0.0000
241 V A 0.0000
242 F A 0.0000
243 W A 0.0000
244 F A 0.0000
245 P A 0.0000
246 A A 0.0000
247 L A 0.0000
248 M A 0.0000
249 D A 0.0000
250 P A -1.2530
251 R A -1.9791
252 T A -1.2469
253 V A 0.0000
254 T A -0.3800
255 R A 0.0000
256 S A 0.0000
257 Y A 0.0000
258 A A 0.0000
259 G A 0.0000
260 T A -0.2106
261 G A 0.0000
262 H A 0.0000
263 Y A 0.0000
264 L A 0.3065
265 N A -0.7179
266 V A -0.6396
267 N A 0.0000
268 A A 0.2074
269 T A -0.3379
270 R A -1.1052
271 P A -0.6639
272 N A 0.0000
273 Y A 0.0000
274 H A 0.0000
275 L A 0.0000
276 L A 0.0000
277 V A -1.3513
278 N A -1.9937
279 T A 0.0000
280 Q A -1.5774
281 A A -1.1184
282 R A -0.7554
283 K A -0.7063
284 L A 0.0000
285 L A 0.1158
286 L A -0.8439
287 N A -1.7932
288 D A -2.7785
289 E A -2.9185
290 L A -1.7924
291 V A -1.5143
292 A A 0.0000
293 T A -0.7082
294 G A 0.0000
295 V A 0.0000
296 E A -0.2348
297 F A 0.0000
298 P A -0.1236
299 V A 0.3104
300 G A -0.4444
301 N A -0.9832
302 A A 0.1620
303 L A 1.0140
304 V A 0.8656
305 T A 0.2790
306 V A 0.0000
307 S A -0.6789
308 A A 0.0000
309 K A -2.3689
310 K A -1.7519
311 E A -1.3923
312 V A 0.0000
313 I A 0.0000
314 V A 0.0000
315 S A 0.0000
316 A A -0.2449
317 G A -0.1779
318 A A 0.0000
319 I A 0.0000
320 H A -0.2184
321 T A 0.0000
322 P A 0.0000
323 Q A 0.0000
324 L A 0.0000
325 L A 0.0000
326 Q A 0.0000
327 L A 0.0000
328 S A 0.0000
329 G A 0.0000
330 I A 0.0000
331 G A 0.0000
332 P A 0.0000
333 K A -3.0475
334 K A -2.8945
335 L A -1.7650
336 L A 0.0000
337 E A -3.0641
338 A A -1.8612
339 A A -2.1368
340 G A -1.8643
341 I A 0.0000
342 D A -2.3451
343 V A -1.9013
344 R A -1.3924
345 V A -1.0333
346 D A -1.8764
347 L A 0.0000
348 P A -0.8670
349 G A 0.0000
350 V A 0.0000
351 G A 0.0000
352 Q A -0.2876
353 N A -0.1733
354 F A 0.0000
355 Q A 0.0000
356 D A 0.0000
357 H A 0.0000
358 S A 0.0000
359 S A 0.0000
360 L A 0.0000
361 S A -0.5493
362 A A -0.4452
363 V A 0.0000
364 N A -0.7046
365 I A 0.0000
366 T A -0.9019
367 L A 0.0000
368 H A -2.2554
369 K A -2.7363
370 L A 0.0000
371 A A -1.2971
372 S A -1.0352
373 I A -0.4896
374 H A -1.0808
375 P A -1.0693
376 N A 0.0000
377 P A -0.6869
378 N A -1.2089
379 D A 0.0000
380 L A -0.5454
381 V A -0.3687
382 E A -1.8193
383 G A -1.6458
384 N A -1.7353
385 E A -2.1755
386 F A 0.0000
387 K A -1.5782
388 A A -1.4641
389 W A -0.7700
390 A A 0.0000
391 D A -1.6443
392 E A -2.0908
393 V A -1.1554
394 W A -1.0754
395 A A -1.0714
396 A A -1.1977
397 N A -1.7552
398 K A -1.8102
399 T A -1.0657
400 G A 0.0000
401 P A 0.0000
402 Y A 0.2533
403 S A 0.0000
404 L A 0.0000
405 P A 0.0000
406 F A 2.0934
407 T A 0.0000
408 N A 0.0000
409 L A 0.0000
410 A A 0.0000
411 G A 0.0000
412 W A 0.0000
413 L A 0.0000
414 P A 0.0000
415 F A 0.0000
416 T A -1.7228
417 V A 0.0000
418 V A 0.0000
419 S A 0.0000
420 D A -2.8564
421 K A -3.1120
422 A A 0.0000
423 E A -3.5973
424 E A -3.6163
425 L A 0.0000
426 A A 0.0000
427 A A -2.1856
428 K A -2.1111
429 L A 0.0000
430 E A -1.6729
431 A A -1.2775
432 Q A -1.5368
433 D A -2.0030
434 P A -0.9732
435 A A -1.0856
436 S A -1.1990
437 L A 0.0000
438 L A 0.0000
439 Q A -1.4165
440 E A -2.2889
441 G A -1.6137
442 A A -1.1396
443 D A -0.9511
444 P A -0.6679
445 T A -0.4740
446 V A -0.1109
447 V A -0.3196
448 A A -0.1960
449 G A 0.0000
450 F A 0.0000
451 A A -0.5576
452 A A -0.3066
453 Q A 0.0000
454 M A 0.0000
455 K A -1.4847
456 I A -0.5710
457 L A 0.0000
458 A A 0.0000
459 S A -0.9163
460 Q A 0.0000
461 M A 0.0000
462 R A -2.1135
463 S A -2.0420
464 K A -3.0840
465 D A -3.0411
466 T A 0.0000
467 A A 0.0000
468 F A 0.0000
469 T A 0.0000
470 R A 0.0000
471 Y A 0.0000
472 Q A 0.0000
473 L A 0.0000
474 V A 0.1727
475 P A 0.0000
476 A A 0.0000
477 Q A -1.4682
478 G A 0.0000
479 A A 0.0000
480 Q A -0.8192
481 G A 0.0000
482 P A 0.0000
483 V A 0.0000
484 A A 0.0000
485 M A 0.0000
486 Q A 0.0000
487 S A -0.0135
488 F A 0.0000
489 S A 0.0000
490 R A 0.0000
491 G A 0.0000
492 T A -0.2442
493 V A 0.0000
494 N A -0.1854
495 I A 0.0000
496 N A -1.3412
497 A A -1.7096
498 E A -2.8003
499 D A -2.8747
500 P A -1.4317
501 W A -0.6736
502 G A -1.1456
503 S A -1.2128
504 E A -1.0734
505 P A 0.0000
506 V A 0.1263
507 I A 0.0000
508 D A -0.3755
509 Y A 0.0000
510 R A -0.4512
511 V A 0.0000
512 L A -0.0658
513 S A -0.2446
514 N A 0.0000
515 P A -0.4520
516 V A 0.0000
517 E A 0.0000
518 A A -0.4895
519 D A -0.7577
520 F A 0.0000
521 F A 0.0000
522 V A 0.0000
523 E A -1.1241
524 S A 0.0000
525 I A 0.0000
526 R A -0.9053
527 F A 0.0000
528 L A 0.0000
529 R A -1.0526
530 R A -1.5852
531 Y A 0.0000
532 N A 0.0000
533 F A -0.8877
534 E A -2.2338
535 T A 0.0000
536 S A -2.1142
537 L A 0.0000
538 A A -1.9268
539 K A -2.8625
540 E A -2.9204
541 F A -2.4734
542 D A -2.8640
543 P A -1.2188
544 V A 0.2752
545 E A 0.0000
546 Y A 1.1160
547 A A 0.1756
548 P A -0.0264
549 G A 0.0000
550 P A -0.3890
551 E A -1.4746
552 V A -0.7630
553 V A 0.0635
554 S A -1.3926
555 D A -2.8577
556 E A -3.1790
557 D A -2.5183
558 L A 0.0000
559 K A -2.0949
560 A A -1.8534
561 Y A -1.2807
562 I A 0.0000
563 A A -1.3527
564 D A -2.1112
565 T A -1.0985
566 L A 0.0000
567 S A -0.5223
568 P A 0.0000
569 T A 0.0000
570 D A 0.1789
571 Y A 0.9828
572 H A 0.4489
573 P A 0.3033
574 V A 0.0000
575 G A 0.0000
576 T A 0.0000
577 S A 0.0000
578 S A 0.0000
579 M A 0.0000
580 L A 0.0000
581 P A -0.0241
582 L A 0.2448
583 E A -1.1991
584 L A -0.2762
585 G A 0.0000
586 G A 0.0000
587 V A 0.0000
588 V A 0.0000
589 D A 0.0000
590 Q A -0.6930
591 T A -0.8079
592 L A 0.0000
593 R A -2.2264
594 V A 0.0000
595 Y A -0.7104
596 G A -1.2056
597 V A 0.0000
598 K A -2.4750
599 N A -1.7959
600 L A 0.0000
601 R A 0.0000
602 V A 0.0000
603 V A 0.0000
604 D A 0.0000
605 A A -0.0374
606 S A 0.0000
607 V A 0.0000
608 M A 0.0000
609 P A 0.0000
610 M A 0.0000
611 V A 0.0000
612 P A 0.0000
613 S A 0.0000
614 A A 0.0000
615 N A 0.0000
616 T A 0.0933
617 C A -0.0530
618 Q A 0.0000
619 P A 0.0000
620 T A 0.0000
621 Y A 0.0000
622 A A 0.0000
623 L A 0.0000
624 A A 0.0000
625 E A 0.0000
626 K A 0.0000
627 A A 0.0000
628 A A 0.0000
629 E A -1.1895
630 I A 0.0000
631 I A 0.0000
632 K A -1.0744
633 Q A -1.1025
634 S A -0.1326
635 I A 1.1923
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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
IR30A -1.1965 -0.0178 View CSV PDB
ID30A -0.9406 -0.0206 View CSV PDB
VR29A -0.7776 -0.0201 View CSV PDB
VE21A -0.8789 -0.0182 View CSV PDB
VE29A -0.6839 -0.02 View CSV PDB
LR19A -0.6916 -0.0165 View CSV PDB
LE18A -0.4928 -0.0166 View CSV PDB
LK19A -0.4139 -0.0159 View CSV PDB
VR21A -0.2075 -0.0183 View CSV PDB
LR18A -0.081 -0.0167 View CSV PDB
YR28A -0.0512 -0.0155 View CSV PDB
YK28A 0.5231 -0.0155 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018