Project name: 8ecfcaf541db2a1

Status: done

Started: 2025-02-07 16:54:24
Settings
Chain sequence(s) A: MVERNSGDLQLPQEIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVASRSPRVTEWEEGTLLMVTYSEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDSAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTINSVLSTWVQLDASFSESSIPTAGLVGFLSNTTSSGDTWIDGYRSMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGVLVGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNRPLSVGELKMIKEVED
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                                          (00:09:56)
[INFO]       Auto_mut: Residue number 574 from chain A and a score of 2.012 (valine) selected for  
                       automated muatation                                                         (00:10:01)
[INFO]       Auto_mut: Residue number 288 from chain A and a score of 1.634 (phenylalanine)        
                       selected for automated muatation                                            (00:10:01)
[INFO]       Auto_mut: Residue number 332 from chain A and a score of 1.471 (phenylalanine)        
                       selected for automated muatation                                            (00:10:01)
[INFO]       Auto_mut: Residue number 333 from chain A and a score of 1.437 (leucine) selected for 
                       automated muatation                                                         (00:10:01)
[INFO]       Auto_mut: Residue number 1 from chain A and a score of 1.154 omitted from automated   
                       muatation (excluded by the user).                                           (00:10:01)
[INFO]       Auto_mut: Residue number 575 from chain A and a score of 1.112 (leucine) selected for 
                       automated muatation                                                         (00:10:01)
[INFO]       Auto_mut: Residue number 622 from chain A and a score of 1.079 (valine) selected for  
                       automated muatation                                                         (00:10:01)
[INFO]       Auto_mut: Mutating residue number 574 from chain A (valine) into glutamic acid        (00:10:01)
[INFO]       Auto_mut: Mutating residue number 574 from chain A (valine) into aspartic acid        (00:10:01)
[INFO]       Auto_mut: Mutating residue number 288 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 288 from chain A (phenylalanine) into glutamic acid (00:10:01)
[INFO]       Auto_mut: Mutating residue number 574 from chain A (valine) into arginine             (00:13:55)
[INFO]       Auto_mut: Mutating residue number 574 from chain A (valine) into lysine               (00:13:58)
[INFO]       Auto_mut: Mutating residue number 288 from chain A (phenylalanine) into lysine        (00:14:24)
[INFO]       Auto_mut: Mutating residue number 288 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 288 from chain A (phenylalanine) into aspartic acid (00:18:04)
[INFO]       Auto_mut: Mutating residue number 332 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 332 from chain A (phenylalanine) into glutamic acid (00:18:13)
[INFO]       Auto_mut: Mutating residue number 332 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 332 from chain A (phenylalanine) into aspartic acid (00:18:25)
[INFO]       Auto_mut: Mutating residue number 288 from chain A (phenylalanine) into arginine      (00:21:53)
[INFO]       Auto_mut: Mutating residue number 332 from chain A (phenylalanine) into lysine        (00:22:05)
[INFO]       Auto_mut: Mutating residue number 332 from chain A (phenylalanine) into arginine      (00:22:22)
[INFO]       Auto_mut: Mutating residue number 333 from chain A (leucine) into glutamic acid       (00:25:54)
[INFO]       Auto_mut: Mutating residue number 333 from chain A (leucine) into aspartic acid       (00:26:14)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (leucine) into glutamic acid       (00:26:14)
[INFO]       Auto_mut: Mutating residue number 333 from chain A (leucine) into lysine              (00:29:35)
[INFO]       Auto_mut: Mutating residue number 333 from chain A (leucine) into arginine            (00:30:01)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (leucine) into lysine              (00:30:03)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (leucine) into aspartic acid       (00:33:29)
[INFO]       Auto_mut: Mutating residue number 622 from chain A (valine) into glutamic acid        (00:33:50)
[INFO]       Auto_mut: Mutating residue number 622 from chain A (valine) into aspartic acid        (00:34:03)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (leucine) into arginine            (00:37:10)
[INFO]       Auto_mut: Mutating residue number 622 from chain A (valine) into lysine               (00:37:34)
[INFO]       Auto_mut: Mutating residue number 622 from chain A (valine) into arginine             (00:37:50)
[INFO]       Auto_mut: Effect of mutation residue number 574 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.4410 kcal/mol, Difference in average score from 
                       the base case: -0.0175                                                      (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 574 from chain A (valine) into lysine:    
                       Energy difference: -0.5435 kcal/mol, Difference in average score from the   
                       base case: -0.0182                                                          (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 574 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.1929 kcal/mol, Difference in average score from 
                       the base case: -0.0178                                                      (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 574 from chain A (valine) into arginine:  
                       Energy difference: -0.7344 kcal/mol, Difference in average score from the   
                       base case: -0.0121                                                          (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 288 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 0.8592 kcal/mol, Difference in average    
                       score from the base case: -0.0216                                           (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 288 from chain A (phenylalanine) into     
                       lysine: Energy difference: 0.4251 kcal/mol, Difference in average score     
                       from the base case: -0.0165                                                 (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 288 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 1.0375 kcal/mol, Difference in average    
                       score from the base case: -0.0203                                           (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 288 from chain A (phenylalanine) into     
                       arginine: Energy difference: -1.2511 kcal/mol, Difference in average score  
                       from the base case: -0.0201                                                 (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 332 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 0.8927 kcal/mol, Difference in average    
                       score from the base case: -0.0213                                           (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 332 from chain A (phenylalanine) into     
                       lysine: Energy difference: 0.1649 kcal/mol, Difference in average score     
                       from the base case: -0.0220                                                 (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 332 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 0.0071 kcal/mol, Difference in average    
                       score from the base case: -0.0208                                           (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 332 from chain A (phenylalanine) into     
                       arginine: Energy difference: -0.2936 kcal/mol, Difference in average score  
                       from the base case: -0.0205                                                 (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 333 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.2940 kcal/mol, Difference in average score from  
                       the base case: -0.0190                                                      (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 333 from chain A (leucine) into lysine:   
                       Energy difference: 0.0249 kcal/mol, Difference in average score from the    
                       base case: -0.0174                                                          (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 333 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.4858 kcal/mol, Difference in average score from  
                       the base case: -0.0175                                                      (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 333 from chain A (leucine) into arginine: 
                       Energy difference: -1.3887 kcal/mol, Difference in average score from the   
                       base case: -0.0149                                                          (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (leucine) into glutamic  
                       acid: Energy difference: 2.1394 kcal/mol, Difference in average score from  
                       the base case: -0.0141                                                      (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (leucine) into lysine:   
                       Energy difference: 0.8516 kcal/mol, Difference in average score from the    
                       base case: -0.0087                                                          (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (leucine) into aspartic  
                       acid: Energy difference: 2.4166 kcal/mol, Difference in average score from  
                       the base case: -0.0135                                                      (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (leucine) into arginine: 
                       Energy difference: 0.6080 kcal/mol, Difference in average score from the    
                       base case: -0.0112                                                          (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 622 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.7187 kcal/mol, Difference in average score from 
                       the base case: -0.0190                                                      (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 622 from chain A (valine) into lysine:    
                       Energy difference: -0.8682 kcal/mol, Difference in average score from the   
                       base case: -0.0188                                                          (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 622 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.3101 kcal/mol, Difference in average score from  
                       the base case: -0.0171                                                      (00:41:39)
[INFO]       Auto_mut: Effect of mutation residue number 622 from chain A (valine) into arginine:  
                       Energy difference: -1.1000 kcal/mol, Difference in average score from the   
                       base case: -0.0188                                                          (00:41:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:41:50)
Show buried residues
Minimal score value
-3.6896
Maximal score value
2.0123
Average score
-0.7684
Total score value
-486.4089
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 1.1541
2 V A 0.5017
3 E A -1.9856
4 R A -2.9315
5 N A -2.9241
6 S A -2.5456
7 G A -2.3123
8 D A -2.3268
9 L A -1.3924
10 Q A -1.3997
11 L A -0.1599
12 P A -0.8960
13 Q A -1.6405
14 E A -1.9280
15 I A 0.0000
16 A A -0.2015
17 M A 0.0000
18 L A 0.0000
19 V A -0.3090
20 P A -1.1756
21 N A -2.0524
22 K A -2.2981
23 T A 0.0000
24 Q A -1.8482
25 V A 0.0000
26 V A -1.3974
27 P A -1.7149
28 K A -1.5362
29 S A -1.1136
30 G A -1.4378
31 G A -1.9556
32 E A -2.5505
33 G A -2.1717
34 K A -2.2559
35 V A -1.1222
36 K A 0.0000
37 D A -1.3912
38 I A 0.0000
39 F A 0.0000
40 A A -0.0442
41 S A 0.0504
42 P A 0.0000
43 A A 0.0000
44 L A 0.0000
45 V A 0.0000
46 R A -0.7845
47 A A 0.0000
48 G A -1.6360
49 G A -1.6118
50 V A 0.0000
51 M A 0.0000
52 I A 0.0000
53 A A 0.0000
54 F A 0.0000
55 V A 0.0000
56 E A 0.0000
57 G A 0.0000
58 R A -0.7720
59 T A -0.8537
60 K A -1.4125
61 N A -1.4645
62 K A -1.5777
63 L A -0.4748
64 F A -0.6197
65 P A -0.9583
66 E A -1.3626
67 V A 0.2140
68 I A 0.1968
69 D A -1.4129
70 L A 0.0000
71 S A -1.0154
72 S A 0.0000
73 S A 0.0000
74 D A -0.7952
75 I A 0.0000
76 V A 0.0000
77 A A 0.0000
78 G A 0.0000
79 Y A 0.0000
80 I A 0.0000
81 K A -1.3340
82 A A -1.1506
83 P A -1.4982
84 E A -2.6083
85 T A -1.2615
86 W A -1.2015
87 Q A -1.3134
88 S A -1.0636
89 L A 0.0000
90 V A -0.4681
91 A A -0.4342
92 E A -0.7950
93 V A 0.0000
94 T A -0.8054
95 K A -1.5498
96 E A -1.8572
97 Y A -0.4052
98 W A -0.7593
99 Q A -1.1489
100 A A 0.0000
101 H A -0.8089
102 T A 0.0000
103 V A 0.0000
104 L A 0.0000
105 E A -1.6165
106 S A -1.2346
107 A A -1.3093
108 N A -2.4087
109 N A -2.5924
110 S A -2.1871
111 N A -2.2253
112 H A -1.7569
113 R A -2.6345
114 V A 0.0000
115 G A 0.0000
116 V A 0.0000
117 A A 0.0000
118 R A -0.3658
119 L A 0.0111
120 P A 0.0000
121 T A 0.0000
122 G A 0.0000
123 I A 0.0000
124 T A -0.8127
125 R A -1.3317
126 G A -1.4187
127 N A -1.6962
128 K A -1.9460
129 V A 0.0000
130 F A 0.0000
131 L A 0.0000
132 L A 0.0000
133 V A 0.0000
134 G A 0.0000
135 S A -0.5961
136 Y A -0.9148
137 E A -1.7606
138 E A -1.9162
139 R A -1.9516
140 R A -1.1586
141 E A -0.9221
142 I A 0.6401
143 D A -1.4262
144 D A -1.2987
145 Y A 0.7372
146 I A 0.7049
147 W A -0.4554
148 K A -1.7171
149 A A -1.5754
150 E A -2.0542
151 A A -0.9671
152 W A -0.8911
153 N A -1.1942
154 I A 0.0000
155 K A -0.9824
156 V A 0.0000
157 I A 0.0000
158 E A -1.8584
159 G A 0.0000
160 E A -2.2592
161 A A 0.0000
162 T A -1.6634
163 Q A -1.7986
164 S A -1.1790
165 T A -0.9891
166 E A -1.6006
167 V A 0.1975
168 Q A -1.1638
169 P A -1.1114
170 T A -0.5773
171 Q A -0.9224
172 P A 0.0000
173 I A 0.0000
174 N A -1.8152
175 W A -1.5158
176 S A -1.6943
177 E A -2.1848
178 P A -1.4741
179 K A -1.6027
180 P A -1.3770
181 L A 0.0000
182 F A -1.4694
183 Q A -1.8658
184 T A -1.8217
185 D A -2.4680
186 S A -2.3470
187 P A -2.6538
188 N A -3.4504
189 N A -3.2942
190 K A -3.3121
191 G A -3.0966
192 D A -3.5759
193 L A -2.9191
194 K A -2.5775
195 E A -1.2349
196 F A 0.0000
197 L A -0.2260
198 G A 0.0000
199 G A -0.3215
200 G A 0.0000
201 G A 0.0000
202 S A 0.1572
203 G A 0.0000
204 I A 0.4464
205 V A 0.3297
206 M A 0.0000
207 G A -1.5734
208 N A -1.7555
209 G A -0.9850
210 T A 0.0000
211 L A 0.0000
212 V A 0.0000
213 F A 0.0000
214 P A 0.0000
215 L A 0.0000
216 T A -0.4445
217 A A 0.0000
218 K A -2.1870
219 D A -2.8609
220 E A -3.3706
221 S A -2.3405
222 N A -2.7522
223 K A -2.2611
224 V A -1.3951
225 F A -0.4515
226 S A 0.0000
227 L A 0.0000
228 I A 0.0000
229 T A 0.0000
230 Y A -0.4493
231 S A 0.0000
232 T A -1.3144
233 D A -1.5562
234 D A -1.8229
235 G A 0.0000
236 Q A -2.5115
237 K A -2.8769
238 W A -1.8224
239 E A -1.5280
240 I A -0.8381
241 P A 0.0000
242 G A -1.3591
243 G A 0.0000
244 V A 0.3420
245 S A 0.0000
246 S A 0.1237
247 V A -0.2690
248 A A -0.9343
249 S A 0.0000
250 R A -1.8354
251 S A -0.6764
252 P A 0.0000
253 R A 0.0000
254 V A 0.0000
255 T A 0.0000
256 E A -0.9378
257 W A -1.4607
258 E A -2.9147
259 E A -3.2473
260 G A -2.4263
261 T A 0.0000
262 L A 0.0000
263 L A 0.0000
264 M A 0.0000
265 V A 0.0000
266 T A 0.0000
267 Y A -0.8659
268 S A -1.6568
269 E A -2.7388
270 D A -2.6069
271 G A 0.0000
272 R A 0.0000
273 K A -0.4222
274 V A 0.0000
275 F A 0.0000
276 E A -0.9416
277 S A 0.0000
278 R A -2.8756
279 D A -1.8775
280 M A -1.1352
281 G A 0.0000
282 K A -2.0753
283 T A -1.3352
284 W A -0.8525
285 T A -0.4664
286 E A -0.2252
287 A A 0.0000
288 F A 1.6341
289 G A 0.4948
290 T A 0.1668
291 L A 0.0000
292 P A 0.0000
293 G A 0.0000
294 V A 0.0000
295 W A -0.2843
296 L A 0.0000
297 K A -2.3581
298 S A -2.1738
299 G A -1.8035
300 P A -1.8435
301 E A -1.9144
302 L A -1.2018
303 P A -1.2066
304 E A -0.5362
305 V A 0.9103
306 S A 0.4882
307 L A 0.0000
308 R A -0.0790
309 V A 0.0000
310 D A 0.0000
311 A A 0.0000
312 L A 0.0000
313 I A 0.2970
314 T A -0.0428
315 A A 0.0000
316 T A -1.3403
317 I A 0.0000
318 E A -2.4542
319 G A -1.6483
320 R A -1.5385
321 K A -1.6431
322 V A 0.0000
323 M A 0.0000
324 L A 0.0000
325 Y A 0.0000
326 T A 0.0000
327 Q A 0.0000
328 K A 0.0000
329 V A 0.0000
330 R A -0.2025
331 H A -0.0346
332 F A 1.4712
333 L A 1.4367
334 E A -0.5342
335 V A 0.3094
336 D A -1.5065
337 E A -1.2011
338 P A -0.6816
339 N A 0.0000
340 A A 0.0000
341 L A 0.0000
342 H A 0.0000
343 L A 0.0000
344 W A 0.0000
345 V A 0.0000
346 T A 0.0000
347 D A 0.0000
348 N A -0.6024
349 N A -0.7276
350 R A 0.0000
351 T A 0.0000
352 F A -0.1656
353 H A -0.2952
354 L A 0.0000
355 G A 0.1855
356 P A 0.4135
357 F A 0.0000
358 S A 0.5933
359 V A 0.9887
360 D A -0.4343
361 S A -1.2096
362 A A -1.5451
363 E A -2.9529
364 N A -2.5887
365 K A -1.6238
366 T A 0.0000
367 F A 0.0754
368 A A 0.1027
369 N A 0.0000
370 T A 0.0000
371 L A 0.0000
372 L A 0.0478
373 Y A -0.5305
374 S A -1.5593
375 D A -2.9186
376 D A -3.0008
377 A A 0.0000
378 L A 0.0000
379 H A 0.0000
380 L A 0.0000
381 L A 0.0000
382 Q A 0.0000
383 A A 0.0000
384 K A -1.0769
385 G A 0.0000
386 D A -2.8409
387 H A -2.6930
388 E A -2.7404
389 S A -2.1455
390 T A 0.0000
391 A A -0.4460
392 V A 0.0000
393 S A 0.0000
394 L A 0.0000
395 A A 0.0000
396 R A -1.0657
397 L A 0.0000
398 T A -1.6012
399 E A -2.3981
400 E A 0.0000
401 L A 0.0000
402 N A -2.0753
403 T A -1.2907
404 I A 0.0000
405 N A -1.4717
406 S A -0.9141
407 V A 0.0000
408 L A 0.0000
409 S A -0.6844
410 T A -0.3880
411 W A 0.0000
412 V A 0.0891
413 Q A -0.7014
414 L A -0.4084
415 D A -0.5086
416 A A -0.7800
417 S A -0.9723
418 F A 0.0000
419 S A -1.3859
420 E A -2.0674
421 S A -1.4144
422 S A -0.9769
423 I A 0.0000
424 P A -0.3641
425 T A -0.1268
426 A A -0.2070
427 G A 0.0000
428 L A 0.0000
429 V A 0.0000
430 G A 0.0000
431 F A 0.0000
432 L A 0.0000
433 S A -1.3515
434 N A -2.0696
435 T A -1.7118
436 T A -1.0440
437 S A -0.9928
438 S A -1.1336
439 G A -1.9276
440 D A -2.2225
441 T A -1.4890
442 W A 0.0000
443 I A -0.7199
444 D A 0.0000
445 G A -0.6367
446 Y A 0.0000
447 R A -1.2870
448 S A 0.0000
449 M A -0.2556
450 N A -0.6137
451 A A 0.0000
452 T A -0.4024
453 V A 0.0000
454 T A -1.5403
455 K A -2.4353
456 A A -1.8068
457 A A -1.4949
458 K A -2.8139
459 V A -1.8909
460 E A -2.7634
461 N A -2.3817
462 G A 0.0000
463 F A 0.0000
464 K A -1.3973
465 F A 0.0000
466 T A -0.9860
467 G A -1.3408
468 P A -1.9277
469 G A -2.1561
470 S A 0.0000
471 R A -1.7195
472 A A 0.0000
473 T A 0.0000
474 W A 0.0000
475 P A 0.0000
476 V A 0.0000
477 N A 0.0000
478 S A -0.9929
479 R A -0.3716
480 W A -0.0714
481 D A 0.0000
482 I A 0.0000
483 K A -0.8344
484 Q A 0.0000
485 Y A 0.0000
486 G A -0.1243
487 F A 0.0000
488 V A 0.0000
489 D A 0.0000
490 Y A -0.5944
491 N A -1.3100
492 F A 0.0000
493 T A 0.0000
494 I A 0.0000
495 V A 0.0000
496 A A 0.0000
497 M A -0.5476
498 A A 0.0000
499 T A 0.0000
500 I A 0.0000
501 H A -1.7047
502 Q A -1.1043
503 V A 0.1675
504 P A 0.0000
505 S A -1.0979
506 E A -1.9391
507 S A -1.1764
508 T A 0.0000
509 P A -0.6606
510 L A 0.0000
511 L A 0.0000
512 G A 0.0000
513 A A 0.0000
514 S A 0.0000
515 L A 0.0000
516 R A -2.9072
517 G A -2.8047
518 N A -3.1524
519 K A -3.5612
520 R A -3.6896
521 T A -2.6901
522 K A -1.9796
523 L A 0.0000
524 I A 0.0000
525 G A 0.0000
526 L A 0.0000
527 S A 0.0000
528 Y A 0.0000
529 G A 0.0000
530 A A -0.6230
531 G A -0.6595
532 G A -1.0346
533 K A -1.4580
534 W A 0.0000
535 E A -0.4049
536 T A 0.0000
537 V A 0.0000
538 Y A 0.0000
539 D A -1.4261
540 G A -1.7993
541 T A -1.1204
542 K A -0.8215
543 T A -0.0637
544 V A 0.3590
545 Q A -0.6132
546 G A -0.8694
547 G A -0.6664
548 T A -1.2918
549 W A 0.0000
550 E A -2.9219
551 P A -2.2387
552 G A -2.6593
553 R A -3.5930
554 E A -3.2397
555 Y A 0.0000
556 Q A 0.0000
557 V A 0.0000
558 A A 0.0000
559 L A 0.0000
560 M A 0.0000
561 L A 0.0000
562 Q A -1.6582
563 D A -2.3286
564 G A 0.0000
565 N A -1.0628
566 K A -0.9949
567 G A 0.0000
568 F A -0.0784
569 V A 0.0000
570 Y A 1.0491
571 V A 0.0000
572 D A 0.0263
573 G A 0.0000
574 V A 2.0123
575 L A 1.1122
576 V A 0.0000
577 G A -0.5847
578 N A -1.2583
579 P A -0.4813
580 A A -0.1315
581 M A 0.4646
582 L A 0.0000
583 P A -0.9224
584 T A -1.4821
585 P A -1.3569
586 E A -2.4752
587 E A -2.4949
588 R A -1.2054
589 W A -0.4090
590 T A -0.9469
591 E A -1.2138
592 F A 0.0000
593 S A -1.2150
594 H A -0.7200
595 F A 0.0000
596 Y A 0.0000
597 F A 0.0000
598 G A 0.0000
599 G A 0.0000
600 D A -2.8874
601 E A -3.0151
602 G A -2.2426
603 D A 0.0000
604 S A -1.5392
605 G A -1.0165
606 S A 0.0000
607 D A -0.7450
608 A A 0.0000
609 T A -0.7172
610 L A 0.0000
611 T A -0.9001
612 D A -0.9797
613 V A 0.0000
614 F A 0.0000
615 L A 0.0000
616 Y A 0.0000
617 N A -0.7319
618 R A -1.1173
619 P A -0.7638
620 L A 0.0000
621 S A 0.0120
622 V A 1.0794
623 G A -0.2055
624 E A -0.3958
625 L A 0.0000
626 K A -0.9084
627 M A -0.7165
628 I A 0.0000
629 K A -2.0493
630 E A -2.4166
631 V A -0.9760
632 E A -2.6770
633 D A -2.5165
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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
FR288A -1.2511 -0.0201 View CSV PDB
VR622A -1.1 -0.0188 View CSV PDB
LR333A -1.3887 -0.0149 View CSV PDB
VK622A -0.8682 -0.0188 View CSV PDB
VK574A -0.5435 -0.0182 View CSV PDB
VE574A -0.441 -0.0175 View CSV PDB
FR332A -0.2936 -0.0205 View CSV PDB
FD332A 0.0071 -0.0208 View CSV PDB
LK333A 0.0249 -0.0174 View CSV PDB
FK288A 0.4251 -0.0165 View CSV PDB
LR575A 0.608 -0.0112 View CSV PDB
LK575A 0.8516 -0.0087 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018