Project name: test

Status: done

Started: 2025-10-08 09:15:36
Settings
Chain sequence(s) A: GKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETVGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACVLPKIETMREKVLVSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTELTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAVPENLPPLTADFAEDKDVCKNYQEAKDAFIGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLVKQNCDQFEKLGEYGFQNALVVRYTRKVPQVSSPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAADEKLFTFHADICTAADTAKQIKKQTASVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTA
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]                                                (00:00:01)
[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 minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:18:52)
[INFO]       Auto_mut: Residue number 575 from chain A and a score of 1.793 (valine) selected for  
                       automated muatation                                                         (00:18:56)
[INFO]       Auto_mut: Residue number 576 from chain A and a score of 1.151 (valine) selected for  
                       automated muatation                                                         (00:18:56)
[INFO]       Auto_mut: Residue number 228 from chain A and a score of 1.098 (valine) selected for  
                       automated muatation                                                         (00:18:56)
[INFO]       Auto_mut: Residue number 497 from chain A and a score of 0.977 (valine) selected for  
                       automated muatation                                                         (00:18:56)
[INFO]       Auto_mut: Residue number 572 from chain A and a score of 0.821 (proline) selected for 
                       automated muatation                                                         (00:18:56)
[INFO]       Auto_mut: Residue number 574 from chain A and a score of 0.650 (leucine) selected for 
                       automated muatation                                                         (00:18:56)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (valine) into glutamic acid        (00:18:56)
[INFO]       Auto_mut: Mutating residue number 576 from chain A (valine) into glutamic acid        (00:18:56)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (valine) into aspartic acid        (00:18:56)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (valine) into lysine               (00:27:28)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (valine) into arginine             (00:27:28)
[INFO]       Auto_mut: Mutating residue number 576 from chain A (valine) into lysine               (00:27:43)
[INFO]       Auto_mut: Mutating residue number 576 from chain A (valine) into aspartic acid        (00:36:19)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (valine) into glutamic acid        (00:36:19)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (valine) into aspartic acid        (00:36:59)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (valine) into lysine               (00:45:08)
[INFO]       Auto_mut: Mutating residue number 576 from chain A (valine) into arginine             (00:45:15)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (valine) into arginine             (00:45:40)
[INFO]       Auto_mut: Mutating residue number 497 from chain A (valine) into glutamic acid        (00:53:51)
[INFO]       Auto_mut: Mutating residue number 497 from chain A (valine) into aspartic acid        (00:54:08)
[INFO]       Auto_mut: Mutating residue number 572 from chain A (proline) into glutamic acid       (00:54:39)
[INFO]       Auto_mut: Mutating residue number 497 from chain A (valine) into lysine               (01:02:27)
[INFO]       Auto_mut: Mutating residue number 497 from chain A (valine) into arginine             (01:02:53)
[INFO]       Auto_mut: Mutating residue number 572 from chain A (proline) into lysine              (01:03:23)
[INFO]       Auto_mut: Mutating residue number 572 from chain A (proline) into aspartic acid       (01:10:30)
[INFO]       Auto_mut: Mutating residue number 574 from chain A (leucine) into glutamic acid       (01:11:01)
[INFO]       Auto_mut: Mutating residue number 574 from chain A (leucine) into aspartic acid       (01:11:59)
[INFO]       Auto_mut: Mutating residue number 572 from chain A (proline) into arginine            (01:18:48)
[INFO]       Auto_mut: Mutating residue number 574 from chain A (leucine) into lysine              (01:19:26)
[INFO]       Auto_mut: Mutating residue number 574 from chain A (leucine) into arginine            (01:20:21)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (valine) into glutamic   
                       acid: Energy difference: -1.3915 kcal/mol, Difference in average score from 
                       the base case: -0.0143                                                      (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (valine) into lysine:    
                       Energy difference: -1.7633 kcal/mol, Difference in average score from the   
                       base case: -0.0134                                                          (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.9445 kcal/mol, Difference in average score from 
                       the base case: -0.0143                                                      (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (valine) into arginine:  
                       Energy difference: -1.7873 kcal/mol, Difference in average score from the   
                       base case: -0.0141                                                          (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 576 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.2760 kcal/mol, Difference in average score from  
                       the base case: -0.0103                                                      (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 576 from chain A (valine) into lysine:    
                       Energy difference: -0.0720 kcal/mol, Difference in average score from the   
                       base case: -0.0043                                                          (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 576 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.4111 kcal/mol, Difference in average score from  
                       the base case: -0.0106                                                      (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 576 from chain A (valine) into arginine:  
                       Energy difference: -0.2309 kcal/mol, Difference in average score from the   
                       base case: -0.0125                                                          (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.8162 kcal/mol, Difference in average score from 
                       the base case: -0.0091                                                      (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (valine) into lysine:    
                       Energy difference: -0.6614 kcal/mol, Difference in average score from the   
                       base case: -0.0156                                                          (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.0181 kcal/mol, Difference in average score from  
                       the base case: -0.0055                                                      (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (valine) into arginine:  
                       Energy difference: -0.8247 kcal/mol, Difference in average score from the   
                       base case: -0.0047                                                          (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 497 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.2345 kcal/mol, Difference in average score from 
                       the base case: -0.0112                                                      (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 497 from chain A (valine) into lysine:    
                       Energy difference: -0.3688 kcal/mol, Difference in average score from the   
                       base case: -0.0096                                                          (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 497 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.0349 kcal/mol, Difference in average score from  
                       the base case: -0.0100                                                      (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 497 from chain A (valine) into arginine:  
                       Energy difference: -0.8466 kcal/mol, Difference in average score from the   
                       base case: -0.0100                                                          (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 572 from chain A (proline) into glutamic  
                       acid: Energy difference: 1.4479 kcal/mol, Difference in average score from  
                       the base case: -0.0031                                                      (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 572 from chain A (proline) into lysine:   
                       Energy difference: 1.1977 kcal/mol, Difference in average score from the    
                       base case: -0.0009                                                          (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 572 from chain A (proline) into aspartic  
                       acid: Energy difference: 1.2407 kcal/mol, Difference in average score from  
                       the base case: -0.0033                                                      (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 572 from chain A (proline) into arginine: 
                       Energy difference: 0.7964 kcal/mol, Difference in average score from the    
                       base case: -0.0019                                                          (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 574 from chain A (leucine) into glutamic  
                       acid: Energy difference: 2.4182 kcal/mol, Difference in average score from  
                       the base case: 0.0067                                                       (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 574 from chain A (leucine) into lysine:   
                       Energy difference: 0.6340 kcal/mol, Difference in average score from the    
                       base case: 0.0052                                                           (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 574 from chain A (leucine) into aspartic  
                       acid: Energy difference: 2.5531 kcal/mol, Difference in average score from  
                       the base case: 0.0063                                                       (01:29:03)
[INFO]       Auto_mut: Effect of mutation residue number 574 from chain A (leucine) into arginine: 
                       Energy difference: 0.5795 kcal/mol, Difference in average score from the    
                       base case: 0.0095                                                           (01:29:03)
[INFO]       Main:     Simulation completed successfully.                                          (01:29:13)
Show buried residues
Minimal score value
-4.3747
Maximal score value
1.7931
Average score
-1.1349
Total score value
-657.1092
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
3 G A -1.9123
4 K A -2.9756
5 S A 0.0000
6 E A -1.9680
7 I A 0.0000
8 A A 0.0000
9 H A -1.9923
10 R A -1.9809
11 F A 0.0000
12 K A -3.1278
13 D A -3.2514
14 L A 0.0000
15 G A -2.6223
16 E A -3.6016
17 E A -2.7126
18 H A -1.8169
19 F A 0.0000
20 K A -1.7385
21 G A 0.0000
22 L A 0.0000
23 V A 0.0000
24 L A 0.0000
25 I A 0.0000
26 A A 0.0000
27 F A 0.0000
28 S A 0.0000
29 Q A 0.0000
30 Y A 0.0000
31 L A 0.0000
32 Q A 0.0000
33 Q A -1.3914
34 C A 0.0000
35 P A -1.1847
36 F A -1.5556
37 D A -2.7454
38 E A -2.2000
39 H A 0.0000
40 V A -2.2173
41 K A -2.9362
42 L A 0.0000
43 V A 0.0000
44 N A -2.6001
45 E A -3.2650
46 L A 0.0000
47 T A 0.0000
48 E A -3.1116
49 F A -1.5898
50 A A 0.0000
51 K A -2.4243
52 T A -1.6008
53 C A 0.0000
54 V A -1.1270
55 A A -1.2090
56 D A -2.5368
57 E A -2.8321
58 S A -2.1596
59 H A -1.7795
60 A A -1.2134
61 G A -1.3281
62 C A 0.0000
63 E A -3.2654
64 K A -2.4265
65 S A -1.6114
66 L A 0.0000
67 H A -1.0691
68 T A -1.6573
69 L A -1.2304
70 F A 0.0000
71 G A 0.0000
72 D A -2.4292
73 E A -2.0423
74 L A 0.0000
75 C A -1.9866
76 K A -2.1828
77 V A 0.0000
78 A A -1.1597
79 S A -1.7515
80 L A 0.0000
81 R A -3.5737
82 E A -2.9851
83 T A -1.8634
84 V A -1.4412
85 G A -2.6873
86 D A -3.2211
87 M A 0.0000
88 A A -2.9159
89 D A -3.4087
90 C A 0.0000
91 C A -3.0110
92 E A -3.3559
93 K A -3.8423
94 Q A -3.1936
95 E A -3.1224
96 P A -2.5224
97 E A -3.5947
98 R A 0.0000
99 N A -2.3204
100 E A -2.9462
101 C A -2.0508
102 F A 0.0000
103 L A 0.0000
104 S A -1.0752
105 H A -1.2148
106 K A -0.9211
107 D A -1.6394
108 D A -1.3362
109 S A -1.1660
110 P A -1.5563
111 D A -2.3195
112 L A -1.4943
113 P A -1.5899
114 K A -2.3178
115 L A -1.5887
116 K A -2.4005
117 P A 0.0000
118 D A -2.2156
119 P A -1.7800
120 N A -2.2004
121 T A -1.6412
122 L A -1.6383
123 C A 0.0000
124 D A -2.5509
125 E A -3.4120
126 F A -3.3809
127 K A -3.2293
128 A A -2.9143
129 D A -3.8936
130 E A -4.3747
131 K A -3.8532
132 K A -3.8216
133 F A 0.0000
134 W A 0.0000
135 G A -1.7978
136 K A -2.0086
137 Y A 0.0000
138 L A 0.0000
139 Y A 0.0000
140 E A -0.5421
141 I A 0.0000
142 A A 0.0000
143 R A -0.7901
144 R A -1.2248
145 H A -0.4590
146 P A 0.0000
147 Y A 0.0000
148 F A 0.0000
149 Y A 0.0000
150 A A 0.0000
151 P A 0.0000
152 E A -0.2740
153 L A 0.0000
154 L A 0.0000
155 Y A -0.3248
156 Y A 0.0000
157 A A 0.0000
158 N A -1.0037
159 K A -1.2135
160 Y A 0.0000
161 N A -1.7112
162 G A -1.5465
163 V A 0.0000
164 F A 0.0000
165 Q A -2.8462
166 E A -2.7719
167 C A 0.0000
168 C A -2.4889
169 Q A -2.6021
170 A A -2.5597
171 E A -3.0209
172 D A -3.0770
173 K A -2.4376
174 G A -1.4098
175 A A -0.8886
176 C A -0.9822
177 V A 0.0000
178 L A -0.8769
179 P A -1.1450
180 K A -1.5615
181 I A 0.0000
182 E A -2.6855
183 T A -2.0010
184 M A 0.0000
185 R A -1.6702
186 E A -1.7808
187 K A -1.6408
188 V A 0.0000
189 L A 0.2963
190 V A -0.1366
191 S A 0.0000
192 S A -0.0976
193 A A -0.2058
194 R A -0.6433
195 Q A 0.0000
196 R A -0.6059
197 L A -0.4809
198 R A -0.7057
199 C A 0.0000
200 A A 0.0000
201 S A 0.0000
202 I A 0.0000
203 Q A -1.9292
204 K A -1.6067
205 F A -1.2646
206 G A -1.9255
207 E A -3.0371
208 R A -2.9233
209 A A -1.6383
210 L A 0.0000
211 K A -1.9818
212 A A -1.1771
213 W A -0.5051
214 S A 0.0000
215 V A 0.0000
216 A A 0.0000
217 R A -0.4672
218 L A 0.0000
219 S A 0.0000
220 Q A 0.0000
221 K A 0.0000
222 F A 0.0000
223 P A 0.0000
224 K A -1.9427
225 A A 0.0000
226 E A -1.4675
227 F A -0.0052
228 V A 1.0976
229 E A -0.2142
230 V A 0.0000
231 T A -0.1136
232 K A -0.3465
233 L A 0.0000
234 V A 0.0000
235 T A -0.9316
236 E A -1.4428
237 L A 0.0000
238 T A 0.0000
239 K A -2.0164
240 V A 0.0000
241 H A 0.0000
242 K A -1.8201
243 E A -1.4705
244 C A 0.0000
245 C A 0.0000
246 H A -1.4895
247 G A -0.9641
248 D A -0.8287
249 L A 0.0000
250 L A 0.0000
251 E A -0.9442
252 C A 0.0000
253 A A 0.0000
254 D A -1.4833
255 D A -1.9030
256 R A 0.0000
257 A A -1.4957
258 D A -2.5208
259 L A 0.0000
260 A A 0.0000
261 K A -2.6445
262 Y A -1.7367
263 I A 0.0000
264 C A -2.7362
265 D A -2.7785
266 N A -2.3072
267 Q A -2.8004
268 D A -2.9853
269 T A -2.0551
270 I A 0.0000
271 S A 0.0000
272 S A -2.2183
273 K A -2.6666
274 L A 0.0000
275 K A -3.7305
276 E A -3.6331
277 C A 0.0000
278 C A -3.0520
279 D A -3.4412
280 K A -2.9688
281 P A -1.1362
282 L A -0.2736
283 L A -0.1800
284 E A -1.0483
285 K A -1.4685
286 S A -0.8961
287 H A -0.6088
288 C A -1.3395
289 I A 0.0000
290 A A -1.2023
291 E A -2.3092
292 V A 0.0000
293 E A -2.8347
294 K A -2.0225
295 D A 0.0000
296 A A -0.6093
297 V A -0.2174
298 P A -1.1214
299 E A -2.3089
300 N A -2.0203
301 L A -1.0055
302 P A -1.0568
303 P A -0.7434
304 L A -0.7361
305 T A -1.2225
306 A A -1.9324
307 D A -2.8966
308 F A 0.0000
309 A A 0.0000
310 E A -3.3092
311 D A -3.3884
312 K A -3.7165
313 D A -3.3989
314 V A 0.0000
315 C A -2.5689
316 K A -3.3129
317 N A -2.9365
318 Y A 0.0000
319 Q A -3.4235
320 E A -3.4198
321 A A -2.5128
322 K A -2.9272
323 D A -2.7209
324 A A -1.2724
325 F A -1.3024
326 I A 0.0000
327 G A -0.7161
328 S A -0.4063
329 F A 0.0000
330 L A 0.0000
331 Y A 0.0000
332 E A -0.6718
333 Y A -0.1190
334 S A 0.0000
335 R A 0.0000
336 R A -0.2919
337 H A -0.5399
338 P A -0.8953
339 E A -1.7982
340 Y A -0.7437
341 A A 0.0000
342 V A 0.0000
343 S A -0.0324
344 V A 0.0000
345 L A 0.0000
346 L A -0.1271
347 R A 0.0000
348 L A 0.0000
349 A A 0.0000
350 K A -1.2913
351 E A -1.4334
352 Y A 0.0000
353 E A -1.8616
354 A A -1.5985
355 T A 0.0000
356 L A 0.0000
357 E A -3.0444
358 E A -2.8217
359 C A 0.0000
360 C A -2.4734
361 A A -2.2359
362 K A -3.5216
363 D A -3.4670
364 D A -3.1488
365 P A -2.8124
366 H A -2.4555
367 A A -1.4583
368 C A -1.1063
369 Y A 0.0000
370 S A -1.4112
371 T A -1.1579
372 V A 0.0000
373 F A -1.5872
374 D A -3.0434
375 K A -2.8994
376 L A 0.0000
377 K A -3.5652
378 H A -3.2035
379 L A -2.1137
380 V A 0.0000
381 D A -3.0501
382 E A -2.6476
383 P A 0.0000
384 Q A -2.5713
385 N A -2.4901
386 L A -1.9224
387 V A 0.0000
388 K A -3.4544
389 Q A -2.9174
390 N A -2.1676
391 C A 0.0000
392 D A -3.5906
393 Q A -2.8125
394 F A 0.0000
395 E A -3.3423
396 K A -2.9091
397 L A -1.2114
398 G A -1.2687
399 E A -1.6981
400 Y A -0.0945
401 G A -0.4617
402 F A 0.0000
403 Q A 0.0000
404 N A -0.2323
405 A A -0.3106
406 L A 0.0000
407 V A 0.0000
408 V A -0.3196
409 R A -0.4574
410 Y A -0.1493
411 T A 0.0000
412 R A -1.0150
413 K A 0.0000
414 V A 0.0000
415 P A 0.0000
416 Q A -0.5610
417 V A 0.0000
418 S A -0.3580
419 S A -0.4986
420 P A -0.6783
421 T A -0.8231
422 L A 0.0000
423 V A 0.0000
424 E A -1.6284
425 V A 0.0000
426 S A 0.0000
427 R A -1.0564
428 S A -0.9284
429 L A 0.0000
430 G A 0.0000
431 K A -1.4302
432 V A 0.0000
433 G A 0.0000
434 T A -1.1817
435 R A -0.8005
436 C A 0.0000
437 C A 0.0000
438 T A -1.1571
439 K A -1.7086
440 P A -1.9234
441 E A -3.0195
442 S A -2.1449
443 E A -2.3499
444 R A -2.2280
445 M A 0.0000
446 P A -0.9484
447 C A -0.6122
448 T A 0.0000
449 E A 0.0000
450 D A -0.4843
451 Y A -0.2787
452 L A 0.0000
453 S A -0.2730
454 L A 0.0000
455 I A 0.0000
456 L A 0.0000
457 N A 0.0000
458 R A -1.1723
459 L A 0.0000
460 C A 0.0000
461 V A 0.0000
462 L A -1.2688
463 H A 0.0000
464 E A -2.6345
465 K A -2.6308
466 T A -1.3263
467 P A -1.2485
468 V A -0.3134
469 S A 0.0000
470 E A -2.2860
471 K A -1.7929
472 V A 0.0000
473 T A -1.8815
474 K A -2.2204
475 C A 0.0000
476 C A -1.2215
477 T A -1.5387
478 E A -2.0556
479 S A -1.0228
480 L A -0.1771
481 V A -0.1537
482 N A -0.6057
483 R A 0.0000
484 R A 0.0000
485 P A -0.1516
486 C A -0.3430
487 F A 0.0000
488 S A -0.0094
489 A A 0.0770
490 L A -0.1017
491 T A -0.5148
492 P A -1.1848
493 D A -1.3610
494 E A -2.0337
495 T A -0.5618
496 Y A -0.1756
497 V A 0.9770
498 P A -0.5109
499 K A -1.4860
500 A A -1.0809
501 A A -1.3335
502 D A -2.2312
503 E A -2.7467
504 K A -2.5157
505 L A -0.9650
506 F A -0.9208
507 T A -0.9746
508 F A 0.0000
509 H A -1.3483
510 A A -1.6987
511 D A -2.0039
512 I A 0.0000
513 C A -1.0397
514 T A -0.7812
515 A A -1.1347
516 A A -0.9106
517 D A -1.9151
518 T A -0.9793
519 A A -0.7935
520 K A -1.4349
521 Q A -0.7552
522 I A -0.3102
523 K A -1.0174
524 K A -0.3920
525 Q A 0.0000
526 T A -0.3425
527 A A 0.0016
528 S A 0.0000
529 V A 0.0000
530 E A 0.0000
531 L A 0.0000
532 L A 0.0000
533 K A 0.0000
534 H A -1.3487
535 K A -1.4651
536 P A -1.5817
537 K A -2.5264
538 A A -1.8513
539 T A -2.3139
540 E A -3.3933
541 E A -3.3715
542 Q A -2.3946
543 L A 0.0000
544 K A -3.3677
545 T A -2.1002
546 V A -1.1940
547 M A -1.2173
548 E A -1.9599
549 N A -1.1736
550 F A -0.5434
551 V A -0.1226
552 A A -0.9786
553 F A 0.0000
554 V A 0.0000
555 D A -2.0600
556 K A -2.3336
557 C A 0.0000
558 C A -1.4964
559 A A -1.4050
560 A A -2.0675
561 D A -3.0397
562 D A -3.1138
563 K A -2.6092
564 E A -2.6014
565 A A -1.5598
566 C A 0.0000
567 F A 0.3011
568 A A 0.2093
569 V A 0.2893
570 E A 0.0000
571 G A 0.5866
572 P A 0.8207
573 K A 0.5776
574 L A 0.6504
575 V A 1.7931
576 V A 1.1511
577 S A 0.4985
578 T A 0.2030
579 Q A -0.3924
580 T A -0.2457
581 A A -0.6491
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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
VR575A -1.7873 -0.0141 View CSV PDB
VK575A -1.7633 -0.0134 View CSV PDB
VK228A -0.6614 -0.0156 View CSV PDB
VR497A -0.8466 -0.01 View CSV PDB
VE228A -0.8162 -0.0091 View CSV PDB
VR576A -0.2309 -0.0125 View CSV PDB
VK497A -0.3688 -0.0096 View CSV PDB
VK576A -0.072 -0.0043 View CSV PDB
PD572A 1.2407 -0.0033 View CSV PDB
PR572A 0.7964 -0.0019 View CSV PDB
LK574A 0.634 0.0052 View CSV PDB
LR574A 0.5795 0.0095 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018