Project name: genF

Status: done

Started: 2026-03-23 14:11:33
Settings
Chain sequence(s) A: MCGIAGWVDLGLDLSHKLSDADAMVRTMACRGPDAAGVRADTHAILGHRRLSIIDLEGGAQPMAEPPEAAAGPPVVLSYSGEVYNFRELREQLRSHGHVFRTRSDTEVVLRAYLQWGPDFVDRLNGMFGFALWDARAERLLLVRDRLGVKPVYFARLGGGVLFGSEPKAILAHPDFSAVMDARGLADLLGLMKTPGSTPYRGIEEVPPGCVVTLDRKGLRVTRYWRLRRVPHTDDAEASARTVRDILEDTVARQMVTDVPLCALLSGGLDSSLLTALAAGVESRRGGARVRSFAVDFTGHDSDFRTSEFRPERDSPYALEAARHIGTDHRVIELAADELTADEARDAVLRAHDLPLSFGDVDTSLHLLFRGIRRHSTVALSGESADEVFGGYLWFHDPAAIRSATFPWLSRMQLIPPELLAPDFRAATRFEEYRADGYRQALGEVEHLPEDDDRERRMREISHLNLTRWLPTLLDRKDRLSMATGLEVRVPFCDHRLVEYVYNTPWDVKTPGGDPKGLLKRAASGLVPDSVLRRRKSPYPTTANLLYEKDLRGRIQALLARPAAPVFQVVDAAGLARLLERPEGYFDTQLRRNGMETALYLDAWMRRYEVAPALEHHHHHH
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                                          (00:10:34)
[INFO]       Auto_mut: Residue number 99 from chain A and a score of 0.677 (valine) selected for   
                       automated muatation                                                         (00:10:39)
[INFO]       Auto_mut: Residue number 545 from chain A and a score of 0.646 (leucine) selected for 
                       automated muatation                                                         (00:10:39)
[INFO]       Auto_mut: Residue number 546 from chain A and a score of 0.614 (leucine) selected for 
                       automated muatation                                                         (00:10:39)
[INFO]       Auto_mut: Residue number 221 from chain A and a score of 0.330 (valine) selected for  
                       automated muatation                                                         (00:10:39)
[INFO]       Auto_mut: Residue number 539 from chain A and a score of 0.176 (tyrosine) selected    
                       for automated muatation                                                     (00:10:39)
[INFO]       Auto_mut: Residue number 393 from chain A and a score of 0.171 (leucine) selected for 
                       automated muatation                                                         (00:10:39)
[INFO]       Auto_mut: Mutating residue number 99 from chain A (valine) into glutamic acid         (00:10:39)
[INFO]       Auto_mut: Mutating residue number 99 from chain A (valine) into aspartic acid         (00:10:39)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (leucine) into glutamic acid       (00:10:39)
[INFO]       Auto_mut: Mutating residue number 99 from chain A (valine) into arginine              (00:14:39)
[INFO]       Auto_mut: Mutating residue number 99 from chain A (valine) into lysine                (00:14:43)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (leucine) into lysine              (00:14:48)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (leucine) into aspartic acid       (00:19:04)
[INFO]       Auto_mut: Mutating residue number 546 from chain A (leucine) into glutamic acid       (00:19:05)
[INFO]       Auto_mut: Mutating residue number 546 from chain A (leucine) into aspartic acid       (00:19:07)
[INFO]       Auto_mut: Mutating residue number 546 from chain A (leucine) into arginine            (00:23:08)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (leucine) into arginine            (00:23:13)
[INFO]       Auto_mut: Mutating residue number 546 from chain A (leucine) into lysine              (00:23:17)
[INFO]       Auto_mut: Mutating residue number 221 from chain A (valine) into glutamic acid        (00:27:27)
[INFO]       Auto_mut: Mutating residue number 221 from chain A (valine) into aspartic acid        (00:27:29)
[INFO]       Auto_mut: Mutating residue number 539 from chain A (tyrosine) into glutamic acid      (00:27:43)
[INFO]       Auto_mut: Mutating residue number 221 from chain A (valine) into arginine             (00:31:40)
[INFO]       Auto_mut: Mutating residue number 221 from chain A (valine) into lysine               (00:31:40)
[INFO]       Auto_mut: Mutating residue number 539 from chain A (tyrosine) into lysine             (00:32:28)
[INFO]       Auto_mut: Mutating residue number 539 from chain A (tyrosine) into aspartic acid      (00:35:59)
[INFO]       Auto_mut: Mutating residue number 393 from chain A (leucine) into glutamic acid       (00:36:12)
[INFO]       Auto_mut: Mutating residue number 393 from chain A (leucine) into aspartic acid       (00:38:48)
[INFO]       Auto_mut: Mutating residue number 539 from chain A (tyrosine) into arginine           (00:40:24)
[INFO]       Auto_mut: Mutating residue number 393 from chain A (leucine) into lysine              (00:41:15)
[INFO]       Auto_mut: Mutating residue number 393 from chain A (leucine) into arginine            (00:42:59)
[INFO]       Auto_mut: Effect of mutation residue number 99 from chain A (valine) into glutamic    
                       acid: Energy difference: -0.1271 kcal/mol, Difference in average score from 
                       the base case: -0.0158                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 99 from chain A (valine) into lysine:     
                       Energy difference: -0.2567 kcal/mol, Difference in average score from the   
                       base case: -0.0182                                                          (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 99 from chain A (valine) into aspartic    
                       acid: Energy difference: -0.1234 kcal/mol, Difference in average score from 
                       the base case: -0.0175                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 99 from chain A (valine) into arginine:   
                       Energy difference: -0.0592 kcal/mol, Difference in average score from the   
                       base case: -0.0191                                                          (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (leucine) into glutamic  
                       acid: Energy difference: 1.0776 kcal/mol, Difference in average score from  
                       the base case: -0.0175                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (leucine) into lysine:   
                       Energy difference: 0.5189 kcal/mol, Difference in average score from the    
                       base case: -0.0158                                                          (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.5182 kcal/mol, Difference in average score from  
                       the base case: -0.0184                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (leucine) into arginine: 
                       Energy difference: 0.5130 kcal/mol, Difference in average score from the    
                       base case: -0.0168                                                          (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 546 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.2381 kcal/mol, Difference in average score from  
                       the base case: -0.0146                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 546 from chain A (leucine) into lysine:   
                       Energy difference: 0.4497 kcal/mol, Difference in average score from the    
                       base case: -0.0097                                                          (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 546 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.1681 kcal/mol, Difference in average score from  
                       the base case: -0.0132                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 546 from chain A (leucine) into arginine: 
                       Energy difference: 0.3769 kcal/mol, Difference in average score from the    
                       base case: -0.0104                                                          (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 221 from chain A (valine) into glutamic   
                       acid: Energy difference: 1.1186 kcal/mol, Difference in average score from  
                       the base case: -0.0092                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 221 from chain A (valine) into lysine:    
                       Energy difference: 0.2893 kcal/mol, Difference in average score from the    
                       base case: -0.0095                                                          (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 221 from chain A (valine) into aspartic   
                       acid: Energy difference: 1.3112 kcal/mol, Difference in average score from  
                       the base case: -0.0103                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 221 from chain A (valine) into arginine:  
                       Energy difference: 0.7125 kcal/mol, Difference in average score from the    
                       base case: -0.0056                                                          (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 539 from chain A (tyrosine) into glutamic 
                       acid: Energy difference: 2.0886 kcal/mol, Difference in average score from  
                       the base case: -0.0044                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 539 from chain A (tyrosine) into lysine:  
                       Energy difference: 1.2441 kcal/mol, Difference in average score from the    
                       base case: -0.0066                                                          (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 539 from chain A (tyrosine) into aspartic 
                       acid: Energy difference: 2.8319 kcal/mol, Difference in average score from  
                       the base case: -0.0068                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 539 from chain A (tyrosine) into          
                       arginine: Energy difference: 2.2689 kcal/mol, Difference in average score   
                       from the base case: -0.0086                                                 (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 393 from chain A (leucine) into glutamic  
                       acid: Energy difference: -0.6754 kcal/mol, Difference in average score from 
                       the base case: -0.0027                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 393 from chain A (leucine) into lysine:   
                       Energy difference: 1.1885 kcal/mol, Difference in average score from the    
                       base case: -0.0079                                                          (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 393 from chain A (leucine) into aspartic  
                       acid: Energy difference: -0.0736 kcal/mol, Difference in average score from 
                       the base case: -0.0040                                                      (00:47:29)
[INFO]       Auto_mut: Effect of mutation residue number 393 from chain A (leucine) into arginine: 
                       Energy difference: -0.5485 kcal/mol, Difference in average score from the   
                       base case: -0.0007                                                          (00:47:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:47:40)
Show buried residues
Minimal score value
-4.018
Maximal score value
0.6775
Average score
-0.7906
Total score value
-490.987
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 0.0000
2 C A 0.0000
3 G A 0.0000
4 I A 0.0000
5 A A 0.0000
6 G A 0.0000
7 W A 0.0000
8 V A 0.0000
9 D A 0.0000
10 L A -0.7339
11 G A -0.8140
12 L A -0.5588
13 D A -1.9723
14 L A 0.0000
15 S A -1.3040
16 H A -1.5481
17 K A -1.2712
18 L A -0.1894
19 S A -0.4703
20 D A -0.8779
21 A A 0.0000
22 D A -1.1268
23 A A -0.9946
24 M A 0.0000
25 V A 0.0000
26 R A -2.0626
27 T A -1.0847
28 M A 0.0000
29 A A -0.8292
30 C A -0.3531
31 R A 0.0000
32 G A 0.0000
33 P A -0.9795
34 D A -1.7521
35 A A -0.9448
36 A A -0.7004
37 G A -0.2090
38 V A -0.0448
39 R A -0.6707
40 A A -0.8483
41 D A -1.1750
42 T A -1.0620
43 H A -0.8271
44 A A 0.0000
45 I A 0.0000
46 L A 0.0000
47 G A 0.0000
48 H A 0.0000
49 R A -0.8079
50 R A 0.0000
51 L A 0.0000
52 S A -0.7051
53 I A 0.0000
54 I A 0.0000
55 D A -1.1826
56 L A -0.8238
57 E A -1.7366
58 G A -1.4704
59 G A 0.0000
60 A A -0.2957
61 Q A -0.2097
62 P A -0.2366
63 M A 0.0000
64 A A -0.2915
65 E A -0.5566
66 P A -1.0413
67 P A -1.2475
68 E A -1.9460
69 A A -1.0090
70 A A -0.8240
71 A A -0.5140
72 G A -0.7980
73 P A -1.0280
74 P A -0.7021
75 V A 0.0000
76 V A 0.0000
77 L A 0.0000
78 S A 0.0000
79 Y A 0.0000
80 S A 0.0000
81 G A -0.0757
82 E A 0.0000
83 V A 0.0000
84 Y A 0.0000
85 N A -1.4159
86 F A 0.0000
87 R A -3.4484
88 E A -3.1549
89 L A 0.0000
90 R A -3.0535
91 E A -4.0180
92 Q A -3.1086
93 L A 0.0000
94 R A -2.8234
95 S A -2.1481
96 H A -1.9297
97 G A -1.4341
98 H A -0.7633
99 V A 0.6775
100 F A -0.5592
101 R A -1.7368
102 T A -1.8497
103 R A -2.6493
104 S A 0.0000
105 D A 0.0000
106 T A 0.0000
107 E A 0.0000
108 V A 0.0000
109 V A 0.0000
110 L A 0.0000
111 R A -0.1356
112 A A 0.0000
113 Y A 0.0000
114 L A 0.1369
115 Q A -0.5934
116 W A -0.8235
117 G A -0.6683
118 P A -1.2633
119 D A -2.5305
120 F A 0.0000
121 V A 0.0000
122 D A -2.7387
123 R A -2.2785
124 L A 0.0000
125 N A 0.0000
126 G A 0.0000
127 M A 0.0000
128 F A 0.0000
129 G A 0.0000
130 F A 0.0000
131 A A 0.0000
132 L A 0.0000
133 W A 0.0000
134 D A 0.0000
135 A A -1.2120
136 R A -1.9108
137 A A -1.2957
138 E A -1.3009
139 R A -1.1958
140 L A 0.0000
141 L A 0.0000
142 L A 0.0000
143 V A 0.0000
144 R A 0.0000
145 D A 0.0000
146 R A 0.0000
147 L A 0.0000
148 G A 0.0000
149 V A 0.0000
150 K A 0.0000
151 P A 0.0000
152 V A 0.0000
153 Y A 0.0000
154 F A 0.0000
155 A A 0.0000
156 R A -1.5260
157 L A -1.0507
158 G A -1.0285
159 G A -0.8013
160 G A 0.0000
161 V A 0.0000
162 L A 0.0000
163 F A 0.0000
164 G A 0.0000
165 S A 0.0000
166 E A 0.0000
167 P A 0.0000
168 K A -0.3279
169 A A 0.0000
170 I A 0.0000
171 L A -0.0910
172 A A -0.5793
173 H A 0.0000
174 P A -1.1167
175 D A -1.8657
176 F A -0.8552
177 S A -0.8356
178 A A -0.5569
179 V A -0.4400
180 M A 0.0000
181 D A -1.2747
182 A A 0.0000
183 R A -1.9868
184 G A 0.0000
185 L A 0.0000
186 A A 0.0000
187 D A 0.0000
188 L A 0.0000
189 L A 0.0000
190 G A 0.0000
191 L A 0.0000
192 M A 0.0000
193 K A 0.0000
194 T A -0.2245
195 P A -0.3288
196 G A -0.6341
197 S A -1.0061
198 T A 0.0000
199 P A 0.0000
200 Y A 0.0000
201 R A -1.9677
202 G A -1.7074
203 I A 0.0000
204 E A -2.0110
205 E A 0.0000
206 V A 0.0000
207 P A -0.4245
208 P A -0.4995
209 G A 0.0000
210 C A 0.0000
211 V A 0.0000
212 V A 0.0000
213 T A 0.0000
214 L A 0.0000
215 D A 0.0000
216 R A -2.7871
217 K A -2.8024
218 G A -1.7642
219 L A -0.8192
220 R A -0.6300
221 V A 0.3303
222 T A -0.5634
223 R A -1.6575
224 Y A -1.3761
225 W A -1.4745
226 R A -2.2439
227 L A 0.0000
228 R A -2.2937
229 R A 0.0000
230 V A -0.0691
231 P A -0.4006
232 H A -0.5327
233 T A -0.8555
234 D A -2.0754
235 D A -2.6275
236 A A -2.4433
237 E A -3.0556
238 A A -2.3552
239 S A 0.0000
240 A A 0.0000
241 R A -3.1760
242 T A -2.0321
243 V A 0.0000
244 R A -2.3447
245 D A -2.7254
246 I A -1.4882
247 L A 0.0000
248 E A -1.3464
249 D A -1.2676
250 T A 0.0000
251 V A 0.0000
252 A A -0.3378
253 R A -0.6564
254 Q A 0.0000
255 M A 0.0000
256 V A 0.0573
257 T A -0.2421
258 D A -0.7025
259 V A -0.1594
260 P A -0.5108
261 L A -0.2829
262 C A 0.0000
263 A A 0.0000
264 L A -0.0384
265 L A 0.0000
266 S A -0.0398
267 G A 0.0000
268 G A -0.8327
269 L A -0.8429
270 D A -0.2645
271 S A 0.0000
272 S A 0.0000
273 L A 0.0000
274 L A 0.0000
275 T A 0.0000
276 A A -0.0733
277 L A 0.0000
278 A A 0.0000
279 A A -1.0766
280 G A -1.1618
281 V A -1.3824
282 E A -2.0753
283 S A -2.3367
284 R A -3.1051
285 R A -3.1868
286 G A -2.4119
287 G A -1.9806
288 A A -1.7521
289 R A -2.7572
290 V A 0.0000
291 R A -2.3681
292 S A 0.0000
293 F A 0.0000
294 A A 0.0000
295 V A -0.5588
296 D A -1.0779
297 F A 0.0000
298 T A -1.3344
299 G A -1.6728
300 H A 0.0000
301 D A -2.5371
302 S A -1.9469
303 D A -2.1384
304 F A -1.8431
305 R A -2.2330
306 T A -1.5121
307 S A -1.3962
308 E A -1.9214
309 F A -1.0301
310 R A -1.5161
311 P A -1.7350
312 E A -1.6756
313 R A -1.1196
314 D A -0.4454
315 S A -0.5072
316 P A -0.4126
317 Y A -0.4983
318 A A 0.0000
319 L A -0.8072
320 E A -1.4260
321 A A 0.0000
322 A A 0.0000
323 R A -2.6546
324 H A -1.8569
325 I A -1.2554
326 G A -1.9222
327 T A -2.4784
328 D A -3.3490
329 H A -2.5232
330 R A -2.4527
331 V A -1.1292
332 I A 0.0000
333 E A -2.0312
334 L A 0.0000
335 A A -1.4415
336 A A -1.1073
337 D A -2.3551
338 E A -2.3315
339 L A 0.0000
340 T A -1.7625
341 A A -2.5937
342 D A -3.5083
343 E A -3.4468
344 A A 0.0000
345 R A -2.3258
346 D A -3.0078
347 A A -1.7192
348 V A 0.0000
349 L A 0.0000
350 R A -1.0541
351 A A 0.0000
352 H A 0.0000
353 D A 0.0000
354 L A 0.0000
355 P A 0.0000
356 L A 0.0000
357 S A 0.0000
358 F A 0.0000
359 G A 0.0000
360 D A 0.0000
361 V A 0.0000
362 D A 0.0000
363 T A 0.0000
364 S A 0.0000
365 L A 0.0000
366 H A 0.0000
367 L A -0.9857
368 L A 0.0000
369 F A 0.0000
370 R A -2.6506
371 G A 0.0000
372 I A 0.0000
373 R A -2.8680
374 R A -3.0943
375 H A -2.1784
376 S A 0.0000
377 T A -0.8403
378 V A 0.0000
379 A A 0.0000
380 L A 0.0000
381 S A 0.0000
382 G A -0.3144
383 E A -0.4573
384 S A 0.0000
385 A A 0.0000
386 D A -0.3090
387 E A 0.0000
388 V A 0.0000
389 F A 0.0000
390 G A 0.0000
391 G A 0.0000
392 Y A 0.0500
393 L A 0.1714
394 W A 0.0000
395 F A 0.0000
396 H A -0.5292
397 D A -0.6271
398 P A -0.8068
399 A A -0.7585
400 A A 0.0000
401 I A -1.0404
402 R A -1.8446
403 S A -0.8951
404 A A -0.6055
405 T A -0.7337
406 F A 0.0000
407 P A 0.0000
408 W A 0.0000
409 L A -0.1577
410 S A -0.2901
411 R A -0.3481
412 M A -0.3828
413 Q A -0.5285
414 L A 0.0000
415 I A 0.0000
416 P A -0.8129
417 P A -1.3332
418 E A -2.0498
419 L A 0.0000
420 L A 0.0000
421 A A 0.0000
422 P A -1.6778
423 D A -2.4054
424 F A 0.0000
425 R A -2.0902
426 A A -1.6464
427 A A -1.3432
428 T A 0.0000
429 R A -3.1534
430 F A 0.0000
431 E A -2.6669
432 E A -3.3085
433 Y A -2.5256
434 R A -2.5454
435 A A -2.4976
436 D A -3.4139
437 G A -2.3709
438 Y A 0.0000
439 R A -3.3001
440 Q A -2.9892
441 A A 0.0000
442 L A -1.6818
443 G A -1.9063
444 E A -2.1428
445 V A -1.3945
446 E A -1.4361
447 H A -1.4930
448 L A -1.0610
449 P A -1.4370
450 E A -2.6666
451 D A 0.0000
452 D A -3.5926
453 D A -3.6479
454 R A -3.0367
455 E A -2.7141
456 R A -2.6148
457 R A -2.0219
458 M A 0.0000
459 R A 0.0000
460 E A -0.8161
461 I A 0.0000
462 S A 0.0000
463 H A 0.0000
464 L A 0.0000
465 N A 0.0000
466 L A 0.0000
467 T A -0.2983
468 R A 0.0000
469 W A 0.0000
470 L A 0.0000
471 P A 0.0000
472 T A 0.0000
473 L A 0.0000
474 L A 0.0000
475 D A 0.0000
476 R A -0.2271
477 K A 0.0000
478 D A 0.0000
479 R A 0.0000
480 L A 0.0000
481 S A 0.0000
482 M A 0.0000
483 A A 0.0000
484 T A 0.0000
485 G A 0.0000
486 L A 0.0000
487 E A 0.0000
488 V A 0.0000
489 R A 0.0000
490 V A 0.0000
491 P A 0.0000
492 F A 0.0000
493 C A 0.0000
494 D A 0.0000
495 H A -0.6806
496 R A -0.7248
497 L A 0.0000
498 V A 0.0000
499 E A -1.2076
500 Y A -0.2430
501 V A 0.0000
502 Y A 0.0000
503 N A 0.0000
504 T A 0.0000
505 P A -0.9457
506 W A -1.0686
507 D A -2.1512
508 V A -1.5680
509 K A 0.0000
510 T A 0.0000
511 P A -1.5034
512 G A -1.5363
513 G A -1.8283
514 D A -2.2036
515 P A -1.4465
516 K A 0.0000
517 G A 0.0000
518 L A 0.0000
519 L A 0.0000
520 K A -1.4455
521 R A -1.8809
522 A A 0.0000
523 A A 0.0000
524 S A -0.9896
525 G A -0.7488
526 L A -0.2791
527 V A 0.0000
528 P A 0.0000
529 D A -2.2918
530 S A -1.8158
531 V A 0.0000
532 L A -1.9075
533 R A -2.9140
534 R A -2.5328
535 R A -2.9900
536 K A -2.4044
537 S A -1.4520
538 P A -0.2829
539 Y A 0.1757
540 P A 0.0000
541 T A 0.0000
542 T A 0.0000
543 A A -0.4381
544 N A -0.0961
545 L A 0.6465
546 L A 0.6136
547 Y A 0.0000
548 E A 0.0000
549 K A -1.4380
550 D A -1.3485
551 L A 0.0000
552 R A -1.4742
553 G A -1.5905
554 R A -1.3093
555 I A 0.0000
556 Q A -1.6537
557 A A -1.1248
558 L A 0.0000
559 L A -0.8454
560 A A -1.1113
561 R A -1.9551
562 P A -0.9979
563 A A -0.6302
564 A A 0.0000
565 P A -0.8409
566 V A 0.0000
567 F A -0.2332
568 Q A -0.7230
569 V A 0.0000
570 V A 0.0000
571 D A -0.9529
572 A A -0.4945
573 A A -0.4276
574 G A -1.0220
575 L A 0.0000
576 A A -1.4141
577 R A -2.4471
578 L A -1.5683
579 L A -2.0391
580 E A -3.1190
581 R A -2.8925
582 P A -2.1538
583 E A -2.5701
584 G A -1.2922
585 Y A -1.2096
586 F A 0.0000
587 D A -0.8668
588 T A -0.7339
589 Q A -0.3926
590 L A -0.4120
591 R A -1.1203
592 R A 0.0000
593 N A 0.0000
594 G A 0.0000
595 M A 0.0000
596 E A 0.0000
597 T A 0.0000
598 A A 0.0000
599 L A 0.1061
600 Y A 0.0000
601 L A 0.0000
602 D A 0.0000
603 A A -1.1701
604 W A 0.0000
605 M A 0.0000
606 R A -2.7086
607 R A -2.5322
608 Y A -1.7318
609 E A -2.6206
610 V A 0.0000
611 A A -0.7193
612 P A -0.7586
613 A A -0.8608
614 L A -1.2912
615 E A -2.5850
616 H A -2.9170
617 H A -2.8999
618 H A -3.0034
619 H A -2.7218
620 H A -2.4265
621 H A -1.9356
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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
VK99A -0.2567 -0.0182 View CSV PDB
VD99A -0.1234 -0.0175 View CSV PDB
LE393A -0.6754 -0.0027 View CSV PDB
LD393A -0.0736 -0.004 View CSV PDB
LE546A 0.2381 -0.0146 View CSV PDB
VK221A 0.2893 -0.0095 View CSV PDB
LR545A 0.513 -0.0168 View CSV PDB
LK545A 0.5189 -0.0158 View CSV PDB
LR546A 0.3769 -0.0104 View CSV PDB
VE221A 1.1186 -0.0092 View CSV PDB
YK539A 1.2441 -0.0066 View CSV PDB
YR539A 2.2689 -0.0086 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018