Project name: 30-660

Status: done

Started: 2025-02-12 19:52:28
Settings
Chain sequence(s) A: MAVERNSGDLQLPQEIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERRERDDRRWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEARGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDSAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTINSVLSTWVQLDASFSESSIPTAGLVGFLSNTTSSGDTWIDGYRSMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGRLVGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNRPLSKGELKMIKEVED
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:14:35)
[INFO]       Auto_mut: Residue number 1 from chain A and a score of 1.309 omitted from automated   
                       muatation (excluded by the user).                                           (00:14:40)
[INFO]       Auto_mut: Residue number 306 from chain A and a score of 1.258 (valine) selected for  
                       automated muatation                                                         (00:14:40)
[INFO]       Auto_mut: Residue number 2 from chain A and a score of 0.703 (alanine) selected for   
                       automated muatation                                                         (00:14:40)
[INFO]       Auto_mut: Residue number 307 from chain A and a score of 0.681 (serine) selected for  
                       automated muatation                                                         (00:14:40)
[INFO]       Auto_mut: Residue number 545 from chain A and a score of 0.649 (valine) selected for  
                       automated muatation                                                         (00:14:40)
[INFO]       Auto_mut: Residue number 360 from chain A and a score of 0.640 (valine) selected for  
                       automated muatation                                                         (00:14:40)
[INFO]       Auto_mut: Residue number 248 from chain A and a score of 0.578 (valine) selected for  
                       automated muatation                                                         (00:14:40)
[INFO]       Auto_mut: Mutating residue number 306 from chain A (valine) into glutamic acid        (00:14:40)
[INFO]       Auto_mut: Mutating residue number 306 from chain A (valine) into aspartic acid        (00:14:40)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (alanine) into glutamic acid         (00:14:40)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (alanine) into lysine                (00:19:07)
[INFO]       Auto_mut: Mutating residue number 306 from chain A (valine) into arginine             (00:19:14)
[INFO]       Auto_mut: Mutating residue number 306 from chain A (valine) into lysine               (00:19:17)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (alanine) into aspartic acid         (00:23:24)
[INFO]       Auto_mut: Mutating residue number 307 from chain A (serine) into glutamic acid        (00:23:42)
[INFO]       Auto_mut: Mutating residue number 307 from chain A (serine) into aspartic acid        (00:23:52)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (alanine) into arginine              (00:27:29)
[INFO]       Auto_mut: Mutating residue number 307 from chain A (serine) into lysine               (00:28:01)
[INFO]       Auto_mut: Mutating residue number 307 from chain A (serine) into arginine             (00:28:07)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (valine) into glutamic acid        (00:31:39)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (valine) into aspartic acid        (00:32:32)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into glutamic acid        (00:32:37)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (valine) into lysine               (00:35:38)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (valine) into arginine             (00:36:26)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into lysine               (00:36:36)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into aspartic acid        (00:39:35)
[INFO]       Auto_mut: Mutating residue number 248 from chain A (valine) into glutamic acid        (00:40:25)
[INFO]       Auto_mut: Mutating residue number 248 from chain A (valine) into aspartic acid        (00:40:29)
[INFO]       Auto_mut: Mutating residue number 360 from chain A (valine) into arginine             (00:43:27)
[INFO]       Auto_mut: Mutating residue number 248 from chain A (valine) into arginine             (00:44:21)
[INFO]       Auto_mut: Mutating residue number 248 from chain A (valine) into lysine               (00:44:26)
[INFO]       Auto_mut: Effect of mutation residue number 306 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.8864 kcal/mol, Difference in average score from 
                       the base case: -0.0256                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 306 from chain A (valine) into lysine:    
                       Energy difference: -0.2612 kcal/mol, Difference in average score from the   
                       base case: -0.0230                                                          (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 306 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.6563 kcal/mol, Difference in average score from 
                       the base case: -0.0260                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 306 from chain A (valine) into arginine:  
                       Energy difference: -0.2697 kcal/mol, Difference in average score from the   
                       base case: -0.0222                                                          (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (alanine) into glutamic    
                       acid: Energy difference: -0.5236 kcal/mol, Difference in average score from 
                       the base case: -0.0143                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (alanine) into lysine:     
                       Energy difference: -0.3554 kcal/mol, Difference in average score from the   
                       base case: -0.0158                                                          (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (alanine) into aspartic    
                       acid: Energy difference: -0.6810 kcal/mol, Difference in average score from 
                       the base case: -0.0140                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (alanine) into arginine:   
                       Energy difference: -0.3167 kcal/mol, Difference in average score from the   
                       base case: -0.0179                                                          (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 307 from chain A (serine) into glutamic   
                       acid: Energy difference: 0.7555 kcal/mol, Difference in average score from  
                       the base case: -0.0089                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 307 from chain A (serine) into lysine:    
                       Energy difference: 0.1194 kcal/mol, Difference in average score from the    
                       base case: -0.0105                                                          (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 307 from chain A (serine) into aspartic   
                       acid: Energy difference: 1.2069 kcal/mol, Difference in average score from  
                       the base case: -0.0104                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 307 from chain A (serine) into arginine:  
                       Energy difference: 0.5061 kcal/mol, Difference in average score from the    
                       base case: -0.0052                                                          (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.4834 kcal/mol, Difference in average score from  
                       the base case: -0.0253                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (valine) into lysine:    
                       Energy difference: -0.2399 kcal/mol, Difference in average score from the   
                       base case: -0.0209                                                          (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.4751 kcal/mol, Difference in average score from  
                       the base case: -0.0212                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (valine) into arginine:  
                       Energy difference: -0.1149 kcal/mol, Difference in average score from the   
                       base case: -0.0228                                                          (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into glutamic   
                       acid: Energy difference: 1.3566 kcal/mol, Difference in average score from  
                       the base case: -0.0198                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into lysine:    
                       Energy difference: 0.1426 kcal/mol, Difference in average score from the    
                       base case: -0.0187                                                          (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into aspartic   
                       acid: Energy difference: 1.8753 kcal/mol, Difference in average score from  
                       the base case: -0.0198                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 360 from chain A (valine) into arginine:  
                       Energy difference: 0.1639 kcal/mol, Difference in average score from the    
                       base case: -0.0178                                                          (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 248 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.0976 kcal/mol, Difference in average score from 
                       the base case: -0.0240                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 248 from chain A (valine) into lysine:    
                       Energy difference: -0.1301 kcal/mol, Difference in average score from the   
                       base case: -0.0219                                                          (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 248 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.8132 kcal/mol, Difference in average score from  
                       the base case: -0.0243                                                      (00:48:22)
[INFO]       Auto_mut: Effect of mutation residue number 248 from chain A (valine) into arginine:  
                       Energy difference: 0.1536 kcal/mol, Difference in average score from the    
                       base case: -0.0182                                                          (00:48:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:48:33)
Show buried residues
Minimal score value
-4.7168
Maximal score value
1.309
Average score
-0.8635
Total score value
-547.4708
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 1.3090
2 A A 0.7029
3 V A 0.5490
4 E A -2.1903
5 R A -3.1908
6 N A -2.9766
7 S A -2.0811
8 G A -2.1664
9 D A -2.4527
10 L A -1.2692
11 Q A -1.3277
12 L A -0.4021
13 P A -1.2073
14 Q A -1.8688
15 E A -1.6712
16 I A -0.6213
17 A A -0.0418
18 M A 0.0000
19 L A 0.0000
20 V A -0.2796
21 P A -1.1369
22 N A -2.0371
23 K A -2.2897
24 T A 0.0000
25 Q A -1.6805
26 V A 0.0000
27 V A -1.2837
28 P A -1.6509
29 K A -1.4630
30 S A -1.2934
31 G A -1.4391
32 G A -1.9687
33 E A -2.5800
34 G A -2.1107
35 K A -2.2396
36 V A -1.0872
37 K A 0.0000
38 D A -1.1078
39 I A 0.0000
40 F A 0.0000
41 A A -0.0871
42 S A 0.0386
43 P A 0.0000
44 A A 0.0000
45 L A 0.0000
46 V A 0.0000
47 R A -0.8944
48 A A 0.0000
49 G A -1.6364
50 G A -1.6527
51 V A 0.0000
52 M A 0.0000
53 I A 0.0000
54 A A 0.0000
55 F A 0.0000
56 V A 0.0000
57 E A 0.0000
58 G A 0.0000
59 R A -0.3821
60 T A -0.6291
61 K A -1.0716
62 N A -1.1101
63 K A -1.0522
64 L A 0.1813
65 F A 0.0000
66 P A -0.5160
67 E A -0.8359
68 V A -0.1948
69 I A 0.3835
70 D A -1.3019
71 L A 0.0000
72 S A 0.0000
73 S A 0.0000
74 S A 0.0000
75 D A 0.0000
76 I A 0.0000
77 V A 0.0000
78 A A 0.0000
79 G A 0.0000
80 Y A 0.0000
81 I A 0.0000
82 K A -1.3196
83 A A -1.1893
84 P A -1.5514
85 E A -2.7535
86 T A -1.3431
87 W A -1.2314
88 Q A -1.3773
89 S A -1.1363
90 L A 0.0000
91 V A -0.4053
92 A A -0.4390
93 E A -0.7306
94 V A 0.0000
95 T A -0.6471
96 K A -1.2259
97 E A -1.5797
98 Y A 0.0094
99 W A -0.4156
100 Q A -0.7798
101 A A 0.0000
102 H A 0.0000
103 T A 0.0000
104 V A 0.0000
105 L A 0.0000
106 E A -1.5875
107 S A -1.2066
108 A A -1.3228
109 N A -2.3981
110 N A -2.6200
111 S A -2.2079
112 N A -2.1550
113 H A -2.4717
114 R A -2.9036
115 V A 0.0000
116 G A 0.0000
117 V A 0.0000
118 A A 0.0000
119 R A -0.5403
120 L A -0.0830
121 P A 0.0000
122 T A 0.0000
123 G A 0.0000
124 I A 0.0000
125 T A -0.6979
126 R A -1.0362
127 G A -1.3269
128 N A -1.6946
129 K A -1.8712
130 V A 0.0000
131 F A 0.0000
132 L A 0.0000
133 L A 0.0000
134 V A 0.0000
135 G A 0.0000
136 S A -0.4710
137 Y A -0.6531
138 E A -1.5472
139 E A -2.0999
140 R A -3.3016
141 R A -4.1683
142 E A -4.7168
143 R A -4.5361
144 D A -4.1562
145 D A -4.3353
146 R A -4.2572
147 R A -4.1425
148 W A -3.0182
149 K A -3.2263
150 A A -1.6488
151 E A -1.1048
152 A A -0.5790
153 W A -0.5107
154 N A -0.9871
155 I A 0.0000
156 K A -0.9542
157 V A 0.0000
158 I A 0.0000
159 E A -1.8740
160 G A 0.0000
161 E A -2.2862
162 A A 0.0000
163 T A -1.6998
164 Q A -1.8125
165 S A -1.1765
166 T A -0.9819
167 E A -1.6022
168 V A 0.1983
169 Q A -1.1870
170 P A -1.0362
171 T A -0.5719
172 Q A -1.0469
173 P A 0.0000
174 I A 0.0000
175 N A -1.8637
176 W A -1.5527
177 S A -1.7022
178 E A -2.1812
179 P A -1.4623
180 K A -1.5766
181 P A -1.1594
182 L A 0.0000
183 F A -1.3329
184 Q A -2.0655
185 T A -1.6896
186 D A -2.6962
187 S A -2.6359
188 P A -2.5482
189 N A -3.4495
190 N A -3.4645
191 K A -3.3563
192 G A -3.1252
193 D A -3.5451
194 L A -2.6796
195 K A -2.5940
196 E A -1.3624
197 F A 0.0000
198 L A -0.2711
199 G A 0.0000
200 G A 0.0000
201 G A 0.0000
202 G A 0.0000
203 S A 0.1704
204 G A 0.0000
205 I A 0.5147
206 V A 0.4640
207 M A 0.0000
208 G A -1.5639
209 N A -1.7107
210 G A -0.8446
211 T A 0.0000
212 L A 0.0000
213 V A 0.0000
214 F A 0.0000
215 P A 0.0000
216 L A 0.0000
217 T A 0.0000
218 A A 0.0000
219 K A -2.1178
220 D A -2.8616
221 E A -3.4920
222 S A -2.4001
223 N A -2.8186
224 K A -2.0183
225 V A 0.0000
226 F A -0.1956
227 S A 0.0000
228 L A 0.0000
229 I A 0.0000
230 T A 0.0000
231 Y A -0.4020
232 S A 0.0000
233 T A -1.3184
234 D A -1.6369
235 D A -1.6547
236 G A 0.0000
237 Q A -2.4824
238 K A -2.8440
239 W A -1.7475
240 E A -1.4180
241 I A -0.7295
242 P A 0.0000
243 G A -1.3623
244 G A 0.0000
245 V A 0.5274
246 S A 0.0000
247 S A 0.1489
248 V A 0.5779
249 A A -0.9308
250 C A 0.0000
251 R A -1.6702
252 S A -0.6809
253 P A 0.0000
254 R A 0.0000
255 V A 0.0000
256 T A 0.0000
257 E A -0.9485
258 W A -1.5557
259 E A -3.1510
260 E A -3.3596
261 G A -2.4837
262 T A 0.0000
263 L A 0.0000
264 L A 0.0000
265 M A 0.0000
266 V A 0.0000
267 T A 0.0000
268 Y A -0.9935
269 C A -1.7205
270 E A -2.8711
271 D A -3.2737
272 G A 0.0000
273 R A 0.0000
274 K A -1.7333
275 V A 0.0000
276 F A 0.0000
277 E A -1.3179
278 S A 0.0000
279 R A -2.8001
280 D A -1.8058
281 M A -1.0662
282 G A 0.0000
283 K A -2.0560
284 T A -1.2305
285 W A -1.0379
286 T A -1.4510
287 E A -2.5808
288 A A 0.0000
289 R A -2.6293
290 G A -1.6506
291 T A -1.2408
292 L A 0.0000
293 P A 0.0000
294 G A 0.0000
295 V A 0.0000
296 W A -0.6236
297 L A -1.1035
298 K A -2.5571
299 S A -2.1360
300 G A -1.8091
301 P A -1.6087
302 E A -1.8927
303 L A -0.6650
304 P A -0.7950
305 E A 0.2848
306 V A 1.2576
307 S A 0.6809
308 L A 0.0000
309 R A -0.0159
310 V A 0.0000
311 D A 0.0000
312 A A 0.0000
313 L A 0.0000
314 I A 0.3005
315 T A -0.0635
316 A A 0.0000
317 T A -1.1902
318 I A 0.0000
319 E A -1.9443
320 G A -1.4126
321 R A -1.2812
322 K A -1.5778
323 V A 0.0000
324 M A 0.0000
325 L A 0.0000
326 Y A 0.0000
327 T A 0.0000
328 Q A 0.0000
329 K A 0.0000
330 V A 0.0000
331 R A -0.8273
332 H A -1.3383
333 F A -0.6545
334 L A -0.8128
335 E A -1.2797
336 V A -0.2327
337 D A -1.8632
338 E A -1.6738
339 P A -0.8744
340 N A 0.0000
341 A A 0.0000
342 L A 0.0000
343 H A 0.0000
344 L A 0.0000
345 W A 0.0000
346 V A 0.0000
347 T A 0.0000
348 D A -0.8103
349 N A -0.8256
350 N A -0.9657
351 R A 0.0000
352 T A 0.0000
353 F A 0.0000
354 H A -0.3973
355 L A -0.0102
356 G A -0.1252
357 P A 0.0027
358 F A 0.0000
359 S A 0.0000
360 V A 0.6400
361 D A -0.6149
362 S A -1.1557
363 A A -1.3887
364 E A -2.7158
365 N A -2.1920
366 K A -1.6573
367 T A 0.0000
368 F A 0.1092
369 A A 0.0648
370 N A 0.0000
371 T A 0.0000
372 L A 0.0000
373 L A 0.0371
374 Y A -0.5169
375 S A -1.5537
376 D A -2.9478
377 D A -2.8114
378 A A -1.7278
379 L A 0.0000
380 H A 0.0000
381 L A 0.0000
382 L A 0.0000
383 Q A 0.0000
384 A A 0.0000
385 K A -1.3462
386 G A 0.0000
387 D A -2.7151
388 H A -2.6212
389 E A -2.6364
390 S A -2.0571
391 T A 0.0000
392 A A -0.4853
393 V A 0.0000
394 S A -0.2815
395 L A 0.0000
396 A A 0.0000
397 R A -1.2607
398 L A 0.0000
399 T A -1.6588
400 E A -2.2925
401 E A 0.0000
402 L A 0.0000
403 N A -2.0651
404 T A -1.2466
405 I A 0.0000
406 N A -1.4301
407 S A -0.8308
408 V A 0.0000
409 L A 0.0000
410 S A -0.5899
411 T A -0.3101
412 W A 0.0000
413 V A 0.1863
414 Q A -0.6796
415 L A -0.4162
416 D A -0.5363
417 A A -0.7860
418 S A -0.9806
419 F A 0.0000
420 S A -1.3967
421 E A -2.0733
422 S A -1.4397
423 S A -0.9057
424 I A 0.0000
425 P A -0.3957
426 T A -0.1553
427 A A -0.2151
428 G A -0.4170
429 L A 0.0000
430 V A 0.0000
431 G A 0.0000
432 F A 0.0000
433 L A 0.0000
434 S A -1.3250
435 N A -2.0727
436 T A -1.7518
437 T A -1.2585
438 S A -0.9484
439 S A -1.1288
440 G A -1.9227
441 D A -2.4080
442 T A -1.4384
443 W A 0.0000
444 I A -0.8118
445 D A 0.0000
446 G A -0.6317
447 Y A 0.0000
448 R A -1.1551
449 S A 0.0000
450 M A -0.4998
451 N A -0.9699
452 A A 0.0000
453 T A -0.7513
454 V A 0.0000
455 T A -1.4693
456 K A -2.3863
457 A A -1.7489
458 A A -1.4774
459 K A -2.7715
460 V A -1.8850
461 E A -2.7590
462 N A -2.3452
463 G A 0.0000
464 F A 0.0000
465 K A -1.3176
466 F A 0.0000
467 T A -0.8737
468 G A -1.1255
469 P A -1.5344
470 G A -1.5991
471 S A 0.0000
472 R A -1.2395
473 A A 0.0000
474 T A -0.3725
475 W A 0.0000
476 P A -0.3496
477 V A 0.0000
478 N A 0.0000
479 S A -1.3206
480 R A -2.0008
481 W A -0.7371
482 D A 0.0000
483 I A -0.3001
484 K A -0.5997
485 Q A 0.0000
486 Y A 0.0000
487 G A -0.5839
488 F A 0.0000
489 V A 0.0000
490 D A 0.0000
491 Y A -1.1273
492 N A -1.2021
493 F A 0.0000
494 T A 0.0000
495 I A 0.0000
496 V A 0.0000
497 A A 0.0000
498 M A -0.6159
499 A A 0.0000
500 T A -1.9543
501 I A 0.0000
502 H A -1.7352
503 Q A -1.0644
504 V A 0.1417
505 P A 0.0000
506 S A -1.1465
507 E A -1.9858
508 S A -1.1542
509 T A 0.0000
510 P A -0.6600
511 L A 0.0000
512 L A 0.0000
513 G A 0.0000
514 A A 0.0000
515 S A 0.0000
516 L A 0.0000
517 R A -3.1739
518 G A -2.7870
519 N A -3.0493
520 K A -3.3678
521 R A -3.2632
522 T A -2.4492
523 K A -1.7632
524 L A 0.0000
525 I A 0.0000
526 G A 0.0000
527 L A 0.0000
528 S A 0.0000
529 Y A 0.0000
530 G A 0.0000
531 A A -0.6453
532 G A -0.5795
533 G A -0.8747
534 K A -1.0681
535 W A 0.0000
536 E A 0.0000
537 T A 0.0000
538 V A 0.0000
539 Y A -0.7551
540 D A -1.3553
541 G A -1.6635
542 T A -1.3836
543 K A -1.5645
544 T A -0.2438
545 V A 0.6493
546 Q A -0.3717
547 G A -0.5775
548 G A -0.7336
549 T A -1.0905
550 W A 0.0000
551 E A -2.7350
552 P A -2.1682
553 G A -2.6585
554 R A -3.5623
555 E A -3.2146
556 Y A 0.0000
557 Q A 0.0000
558 V A 0.0000
559 A A 0.0000
560 L A 0.0000
561 M A 0.0000
562 L A 0.0000
563 Q A -1.5976
564 D A -2.2846
565 G A 0.0000
566 N A -1.0452
567 K A -0.9079
568 G A 0.0000
569 F A -0.0499
570 V A 0.0000
571 Y A 0.0000
572 V A 0.0000
573 D A 0.0000
574 G A 0.0000
575 R A -2.0290
576 L A -0.8790
577 V A 0.0000
578 G A -0.9832
579 N A -1.2230
580 P A -0.4766
581 A A -0.1018
582 M A 0.5120
583 L A 0.0000
584 P A -0.8506
585 T A -1.3834
586 P A -1.5919
587 E A -2.4720
588 E A -2.3990
589 R A 0.0000
590 W A -0.4127
591 T A -1.0932
592 E A -1.7787
593 F A 0.0000
594 S A -1.4585
595 H A -0.7064
596 F A 0.0000
597 Y A 0.0000
598 F A 0.0000
599 G A 0.0000
600 G A 0.0000
601 D A -1.9683
602 E A -2.6051
603 G A -2.0302
604 D A 0.0000
605 S A -1.2201
606 G A -0.8711
607 S A 0.0000
608 D A 0.0000
609 A A 0.0000
610 T A -0.6919
611 L A 0.0000
612 T A -0.9003
613 D A -0.9734
614 V A 0.0000
615 F A 0.0000
616 L A 0.0000
617 Y A 0.0000
618 N A -0.6737
619 R A -0.8877
620 P A -0.9357
621 L A 0.0000
622 S A -1.3984
623 K A -2.4503
624 G A -1.6615
625 E A -1.4480
626 L A 0.0000
627 K A -2.1919
628 M A -1.2005
629 I A 0.0000
630 K A -2.2346
631 E A -2.5692
632 V A -1.1495
633 E A -2.7416
634 D A -2.5073
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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
VE306A -0.8864 -0.0256 View CSV PDB
VD306A -0.6563 -0.026 View CSV PDB
AD2A -0.681 -0.014 View CSV PDB
VK545A -0.2399 -0.0209 View CSV PDB
AE2A -0.5236 -0.0143 View CSV PDB
VE248A -0.0976 -0.024 View CSV PDB
VR545A -0.1149 -0.0228 View CSV PDB
VK248A -0.1301 -0.0219 View CSV PDB
VK360A 0.1426 -0.0187 View CSV PDB
VR360A 0.1639 -0.0178 View CSV PDB
SK307A 0.1194 -0.0105 View CSV PDB
SE307A 0.7555 -0.0089 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018