Project name: 30-660

Status: done

Started: 2025-02-11 16:40:11
Settings
Chain sequence(s) A: ERNSGDLQLPQEIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDSAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTINSVLSTWVQLDASFSESSIPTAGLVGFLSNTTSSGDTWIDGYRSMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGVLVGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNRPLSVGELKMIKEVED
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                                          (00:08:39)
[INFO]       Auto_mut: Residue number 572 from chain A and a score of 2.049 (valine) selected for  
                       automated muatation                                                         (00:08:44)
[INFO]       Auto_mut: Residue number 286 from chain A and a score of 1.469 (phenylalanine)        
                       selected for automated muatation                                            (00:08:44)
[INFO]       Auto_mut: Residue number 331 from chain A and a score of 1.269 (leucine) selected for 
                       automated muatation                                                         (00:08:44)
[INFO]       Auto_mut: Residue number 573 from chain A and a score of 1.199 (leucine) selected for 
                       automated muatation                                                         (00:08:44)
[INFO]       Auto_mut: Residue number 620 from chain A and a score of 1.110 (valine) selected for  
                       automated muatation                                                         (00:08:44)
[INFO]       Auto_mut: Residue number 568 from chain A and a score of 1.049 (tyrosine) selected    
                       for automated muatation                                                     (00:08:44)
[INFO]       Auto_mut: Mutating residue number 572 from chain A (valine) into aspartic acid        (00:08:44)
[INFO]       Auto_mut: Mutating residue number 572 from chain A (valine) into glutamic acid        (00:08:44)
[INFO]       Auto_mut: Mutating residue number 286 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 286 from chain A (phenylalanine) into glutamic acid (00:08:44)
[INFO]       Auto_mut: Mutating residue number 572 from chain A (valine) into arginine             (00:12:42)
[INFO]       Auto_mut: Mutating residue number 572 from chain A (valine) into lysine               (00:12:56)
[INFO]       Auto_mut: Mutating residue number 286 from chain A (phenylalanine) into lysine        (00:13:06)
[INFO]       Auto_mut: Mutating residue number 286 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 286 from chain A (phenylalanine) into aspartic acid (00:17:10)
[INFO]       Auto_mut: Mutating residue number 331 from chain A (leucine) into glutamic acid       (00:17:15)
[INFO]       Auto_mut: Mutating residue number 331 from chain A (leucine) into aspartic acid       (00:17:17)
[INFO]       Auto_mut: Mutating residue number 331 from chain A (leucine) into lysine              (00:21:19)
[INFO]       Auto_mut: Mutating residue number 331 from chain A (leucine) into arginine            (00:21:23)
[INFO]       Auto_mut: Mutating residue number 286 from chain A (phenylalanine) into arginine      (00:21:34)
[INFO]       Auto_mut: Mutating residue number 573 from chain A (leucine) into glutamic acid       (00:25:30)
[INFO]       Auto_mut: Mutating residue number 573 from chain A (leucine) into aspartic acid       (00:25:31)
[INFO]       Auto_mut: Mutating residue number 620 from chain A (valine) into glutamic acid        (00:26:05)
[INFO]       Auto_mut: Mutating residue number 573 from chain A (leucine) into arginine            (00:29:34)
[INFO]       Auto_mut: Mutating residue number 573 from chain A (leucine) into lysine              (00:29:36)
[INFO]       Auto_mut: Mutating residue number 620 from chain A (valine) into lysine               (00:30:22)
[INFO]       Auto_mut: Mutating residue number 620 from chain A (valine) into aspartic acid        (00:33:41)
[INFO]       Auto_mut: Mutating residue number 568 from chain A (tyrosine) into glutamic acid      (00:33:44)
[INFO]       Auto_mut: Mutating residue number 568 from chain A (tyrosine) into aspartic acid      (00:34:42)
[INFO]       Auto_mut: Mutating residue number 568 from chain A (tyrosine) into lysine             (00:37:44)
[INFO]       Auto_mut: Mutating residue number 620 from chain A (valine) into arginine             (00:37:50)
[INFO]       Auto_mut: Mutating residue number 568 from chain A (tyrosine) into arginine           (00:38:41)
[INFO]       Auto_mut: Effect of mutation residue number 572 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.1261 kcal/mol, Difference in average score from 
                       the base case: -0.0008                                                      (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 572 from chain A (valine) into lysine:    
                       Energy difference: -0.2502 kcal/mol, Difference in average score from the   
                       base case: -0.0007                                                          (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 572 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.0659 kcal/mol, Difference in average score from  
                       the base case: 0.0003                                                       (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 572 from chain A (valine) into arginine:  
                       Energy difference: -0.7787 kcal/mol, Difference in average score from the   
                       base case: 0.0004                                                           (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 286 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 0.6913 kcal/mol, Difference in average    
                       score from the base case: -0.0035                                           (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 286 from chain A (phenylalanine) into     
                       lysine: Energy difference: 0.1855 kcal/mol, Difference in average score     
                       from the base case: -0.0006                                                 (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 286 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 1.2131 kcal/mol, Difference in average    
                       score from the base case: -0.0014                                           (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 286 from chain A (phenylalanine) into     
                       arginine: Energy difference: -0.9449 kcal/mol, Difference in average score  
                       from the base case: -0.0042                                                 (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 331 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.3334 kcal/mol, Difference in average score from  
                       the base case: 0.0013                                                       (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 331 from chain A (leucine) into lysine:   
                       Energy difference: 0.5225 kcal/mol, Difference in average score from the    
                       base case: -0.0014                                                          (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 331 from chain A (leucine) into aspartic  
                       acid: Energy difference: -0.3619 kcal/mol, Difference in average score from 
                       the base case: -0.0015                                                      (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 331 from chain A (leucine) into arginine: 
                       Energy difference: 0.2892 kcal/mol, Difference in average score from the    
                       base case: -0.0057                                                          (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 573 from chain A (leucine) into glutamic  
                       acid: Energy difference: 2.3266 kcal/mol, Difference in average score from  
                       the base case: 0.0091                                                       (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 573 from chain A (leucine) into lysine:   
                       Energy difference: 0.7962 kcal/mol, Difference in average score from the    
                       base case: 0.0080                                                           (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 573 from chain A (leucine) into aspartic  
                       acid: Energy difference: 2.4234 kcal/mol, Difference in average score from  
                       the base case: 0.0048                                                       (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 573 from chain A (leucine) into arginine: 
                       Energy difference: 0.5998 kcal/mol, Difference in average score from the    
                       base case: 0.0054                                                           (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 620 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.6196 kcal/mol, Difference in average score from 
                       the base case: -0.0021                                                      (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 620 from chain A (valine) into lysine:    
                       Energy difference: -0.7841 kcal/mol, Difference in average score from the   
                       base case: -0.0019                                                          (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 620 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.3369 kcal/mol, Difference in average score from  
                       the base case: 0.0002                                                       (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 620 from chain A (valine) into arginine:  
                       Energy difference: -1.1527 kcal/mol, Difference in average score from the   
                       base case: -0.0019                                                          (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 568 from chain A (tyrosine) into glutamic 
                       acid: Energy difference: 4.3135 kcal/mol, Difference in average score from  
                       the base case: 0.0192                                                       (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 568 from chain A (tyrosine) into lysine:  
                       Energy difference: 1.8739 kcal/mol, Difference in average score from the    
                       base case: 0.0157                                                           (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 568 from chain A (tyrosine) into aspartic 
                       acid: Energy difference: 5.0939 kcal/mol, Difference in average score from  
                       the base case: 0.0177                                                       (00:43:01)
[INFO]       Auto_mut: Effect of mutation residue number 568 from chain A (tyrosine) into          
                       arginine: Energy difference: 2.2146 kcal/mol, Difference in average score   
                       from the base case: 0.0147                                                  (00:43:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:43:13)
Show buried residues
Minimal score value
-3.8522
Maximal score value
2.0487
Average score
-0.8046
Total score value
-507.7225
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 E A -3.2753
2 R A -3.5071
3 N A -3.0707
4 S A -2.3714
5 G A -2.0431
6 D A -2.1689
7 L A -1.2363
8 Q A -1.4921
9 L A -0.5113
10 P A -1.3269
11 Q A -2.3030
12 E A -2.2594
13 I A 0.0000
14 A A -0.2085
15 M A 0.0000
16 L A 0.0000
17 V A -0.1268
18 P A -0.8818
19 N A -1.6426
20 K A -2.0787
21 T A 0.0000
22 Q A -1.5021
23 V A 0.0000
24 V A -1.5461
25 P A -2.1636
26 K A -2.3216
27 S A -1.6551
28 G A -1.6200
29 G A -2.0617
30 E A -2.6910
31 G A -2.2388
32 K A -2.3093
33 V A -0.7469
34 K A 0.0000
35 D A -1.0363
36 I A -0.7837
37 F A 0.0000
38 A A 0.0575
39 S A 0.0711
40 P A 0.0000
41 A A 0.0000
42 L A 0.0000
43 V A 0.0000
44 R A -0.9339
45 A A 0.0000
46 G A -1.4366
47 G A -1.0125
48 V A 0.0000
49 M A 0.0000
50 I A 0.0000
51 A A 0.0000
52 F A 0.0000
53 V A 0.0000
54 E A 0.0000
55 G A 0.0000
56 R A -0.6012
57 T A -0.7758
58 K A -1.4338
59 N A -1.4496
60 K A -1.6694
61 L A -0.1497
62 F A -0.4584
63 P A -0.9284
64 E A -1.2620
65 V A 0.0671
66 I A 0.4017
67 D A -1.4145
68 L A 0.0000
69 S A 0.0000
70 S A 0.0000
71 S A 0.0000
72 D A -0.9960
73 I A 0.0000
74 V A 0.0000
75 A A 0.0000
76 G A 0.0000
77 Y A 0.0000
78 I A 0.0000
79 K A -1.3398
80 A A -1.2447
81 P A -1.3672
82 E A -2.3164
83 T A -1.2517
84 W A -1.2047
85 Q A -1.3117
86 S A -1.0806
87 L A 0.0000
88 V A -0.4260
89 A A -0.6781
90 E A -0.8415
91 V A 0.0000
92 T A -0.8121
93 K A -1.5459
94 E A -1.7427
95 Y A -0.0878
96 W A -0.5167
97 Q A -0.8936
98 A A 0.0000
99 H A -0.9731
100 T A -1.1259
101 V A 0.0000
102 L A 0.0000
103 E A -2.3112
104 S A -1.5308
105 A A -1.4527
106 N A -2.4319
107 N A -2.4871
108 S A -2.0310
109 N A -2.1108
110 H A -1.5798
111 R A -2.2949
112 V A 0.0000
113 G A 0.0000
114 V A 0.0000
115 A A 0.0000
116 R A -0.4631
117 L A -0.0097
118 P A 0.0000
119 T A 0.0000
120 G A 0.0000
121 I A 0.0000
122 T A -0.9487
123 R A -1.2591
124 G A -1.5076
125 N A -2.0626
126 K A -2.5599
127 V A 0.0000
128 F A 0.0000
129 L A 0.0000
130 L A 0.0000
131 V A 0.0000
132 G A 0.0000
133 S A -0.5154
134 Y A 0.0000
135 E A -1.3506
136 E A -1.4191
137 R A -1.6119
138 R A -1.1728
139 E A -0.8483
140 I A 0.5994
141 D A -1.4562
142 D A -1.3762
143 Y A 0.5898
144 I A 0.3673
145 W A -0.2949
146 K A -1.2582
147 A A -0.9405
148 E A -1.0279
149 A A -0.6616
150 W A -0.7678
151 N A -1.0923
152 I A 0.0000
153 K A -1.3484
154 V A 0.0000
155 I A 0.0000
156 E A -2.7219
157 G A 0.0000
158 E A -3.2304
159 A A 0.0000
160 T A -1.6867
161 Q A -1.8164
162 S A -1.2823
163 T A -1.0041
164 E A -1.6201
165 V A 0.2868
166 Q A -1.1446
167 P A -1.2054
168 T A -0.7247
169 Q A -1.2580
170 P A 0.0000
171 I A 0.0000
172 N A -2.2603
173 W A -2.0779
174 S A -2.1370
175 E A -2.5547
176 P A -2.1002
177 K A -2.7548
178 P A -1.7114
179 L A 0.0000
180 F A -1.6491
181 Q A -1.9884
182 T A -1.5455
183 D A -2.6215
184 S A -2.5125
185 P A -2.1043
186 N A -2.5595
187 N A -2.5787
188 K A -3.0131
189 G A -2.9190
190 D A -3.8522
191 L A 0.0000
192 K A -3.5093
193 E A -2.1413
194 F A 0.0000
195 L A -0.1699
196 G A 0.0000
197 G A 0.0000
198 G A 0.0000
199 G A 0.0000
200 S A 0.1358
201 G A 0.0000
202 I A 0.4490
203 V A 0.3765
204 M A 0.0000
205 G A -1.6113
206 N A -1.7256
207 G A -0.7993
208 T A 0.0000
209 L A 0.0000
210 V A 0.0000
211 F A 0.0000
212 P A 0.0000
213 L A 0.0000
214 T A 0.0000
215 A A 0.0000
216 K A -2.2838
217 D A -3.2466
218 E A -3.6524
219 S A -2.3809
220 N A -2.8296
221 K A -1.7926
222 V A 0.0000
223 F A -0.1139
224 S A 0.0000
225 L A 0.0000
226 I A 0.0000
227 T A 0.0000
228 Y A -0.4803
229 S A 0.0000
230 T A -1.2098
231 D A -1.3394
232 D A -1.4146
233 G A -1.7212
234 Q A -2.5709
235 K A -2.8595
236 W A -1.9076
237 E A -1.7787
238 I A -0.8426
239 P A 0.0000
240 G A -1.5782
241 G A 0.0000
242 V A 0.4911
243 S A 0.0000
244 S A 0.0386
245 V A 0.6133
246 A A -0.8582
247 C A 0.0000
248 R A -1.4107
249 S A -0.7151
250 P A 0.0000
251 R A -0.2826
252 V A 0.0000
253 T A 0.0000
254 E A -1.0613
255 W A 0.0000
256 E A -3.2120
257 E A -3.4079
258 G A -2.5544
259 T A -2.2457
260 L A 0.0000
261 L A 0.0000
262 M A 0.0000
263 V A 0.0000
264 T A 0.0000
265 Y A -1.1725
266 C A 0.0000
267 E A -3.1869
268 D A -3.3752
269 G A 0.0000
270 R A 0.0000
271 K A -0.6928
272 V A 0.0000
273 F A 0.0000
274 E A -1.3702
275 S A 0.0000
276 R A -2.9775
277 D A -1.9892
278 M A -1.1963
279 G A 0.0000
280 K A -2.0724
281 T A -1.3418
282 W A -1.0518
283 T A -0.7136
284 E A -0.7949
285 A A 0.0000
286 F A 1.4688
287 G A 0.4992
288 T A 0.0805
289 L A 0.0000
290 P A 0.0000
291 G A 0.0000
292 V A 0.0000
293 W A -0.0130
294 L A -0.9513
295 K A -2.3514
296 S A -2.4725
297 G A -1.9670
298 P A -1.4113
299 E A -2.1834
300 L A -1.3234
301 P A -1.1682
302 E A -1.8721
303 V A 0.8463
304 S A 0.1291
305 L A 0.0000
306 R A -0.0533
307 V A 0.0000
308 D A 0.0000
309 A A 0.0000
310 L A 0.0000
311 I A 0.2521
312 T A -0.0810
313 A A 0.0000
314 T A -1.3922
315 I A 0.0000
316 E A -2.5229
317 G A -1.7190
318 R A -1.6461
319 K A -1.8098
320 V A 0.0000
321 M A 0.0000
322 L A 0.0000
323 Y A 0.0000
324 T A 0.0000
325 Q A 0.0000
326 K A 0.0000
327 V A -0.4211
328 R A -1.1257
329 H A -0.9631
330 F A 0.7335
331 L A 1.2688
332 E A -0.8953
333 V A 0.2444
334 D A -1.8667
335 E A -1.8053
336 P A -1.3619
337 N A -1.0345
338 A A -0.2883
339 L A 0.0000
340 H A -0.0676
341 L A 0.0000
342 W A 0.0000
343 V A 0.0000
344 T A 0.0000
345 D A 0.0000
346 N A -0.6020
347 N A -0.6602
348 R A 0.0000
349 T A 0.0000
350 F A 0.0000
351 H A -0.4489
352 L A 0.0000
353 G A -0.3272
354 P A -0.1762
355 F A 0.0000
356 S A 0.0000
357 V A 0.6586
358 D A -0.7206
359 S A -1.4358
360 A A -1.6975
361 E A -2.8576
362 N A -2.4564
363 K A -1.8873
364 T A 0.0000
365 F A 0.2023
366 A A 0.1529
367 N A 0.0000
368 T A 0.0000
369 L A 0.0000
370 L A 0.0415
371 Y A -0.5218
372 S A -1.3968
373 D A -2.8619
374 D A -2.8507
375 A A -1.5805
376 L A 0.0000
377 H A 0.0000
378 L A 0.0000
379 L A 0.0000
380 Q A 0.0000
381 A A 0.0000
382 K A -1.1332
383 G A 0.0000
384 D A -2.7690
385 H A -2.5597
386 E A -2.6718
387 S A -1.9801
388 T A 0.0000
389 A A -0.1128
390 V A 0.0000
391 S A -0.4072
392 L A 0.0000
393 A A 0.0000
394 R A -1.2099
395 L A 0.0000
396 T A -1.6985
397 E A -2.4687
398 E A 0.0000
399 L A 0.0000
400 N A -2.0687
401 T A -1.2863
402 I A 0.0000
403 N A -1.4788
404 S A -0.8708
405 V A 0.0000
406 L A 0.0000
407 S A -0.5764
408 T A -0.3722
409 W A 0.0000
410 V A 0.3634
411 Q A -0.5871
412 L A -0.3167
413 D A -0.4719
414 A A -0.7279
415 S A -0.9519
416 F A 0.0000
417 S A -1.4094
418 E A -2.0871
419 S A -1.6031
420 S A -1.1296
421 I A 0.0000
422 P A -0.3795
423 T A -0.1422
424 A A -0.1952
425 G A 0.0000
426 L A 0.0000
427 V A 0.0000
428 G A 0.0000
429 F A -0.2404
430 L A 0.0000
431 S A 0.0000
432 N A -2.0068
433 T A -1.6505
434 T A -0.9421
435 S A -0.9427
436 S A -1.0371
437 G A -1.7852
438 D A -2.2757
439 T A -1.6853
440 W A 0.0000
441 I A -0.7059
442 D A 0.0000
443 G A -0.6916
444 Y A 0.0000
445 R A -1.6809
446 S A 0.0000
447 M A -0.8009
448 N A -1.3713
449 A A 0.0000
450 T A -0.8900
451 V A 0.0000
452 T A -1.3975
453 K A -2.3697
454 A A -1.7690
455 A A -1.5177
456 K A -2.8463
457 V A -2.0335
458 E A -2.8152
459 N A -2.3716
460 G A 0.0000
461 F A 0.0000
462 K A -1.5295
463 F A 0.0000
464 T A -0.9580
465 G A -0.8465
466 P A -1.3632
467 G A -1.6304
468 S A 0.0000
469 R A -1.4057
470 A A 0.0000
471 T A -0.3337
472 W A 0.0000
473 P A -0.2431
474 V A 0.0000
475 N A 0.0000
476 S A -1.4205
477 R A -1.8812
478 W A -0.5659
479 D A -1.3925
480 I A -0.6689
481 K A -0.8586
482 Q A 0.0000
483 Y A 0.0000
484 G A 0.0484
485 F A 0.0000
486 V A 0.0000
487 D A 0.0000
488 Y A -0.6100
489 N A -1.3380
490 F A 0.0000
491 T A 0.0000
492 I A 0.0000
493 V A 0.0000
494 A A 0.0000
495 M A -0.6404
496 A A 0.0000
497 T A -2.0199
498 I A 0.0000
499 H A -1.7430
500 Q A -1.0080
501 V A 0.3699
502 P A 0.0000
503 S A -0.9295
504 E A -1.8319
505 S A -0.9164
506 T A 0.0000
507 P A 0.0000
508 L A 0.0000
509 L A 0.0000
510 G A 0.0000
511 A A 0.0000
512 S A 0.0000
513 L A 0.0000
514 R A -2.1909
515 G A -2.4912
516 N A -2.9160
517 K A -3.4834
518 R A -3.4386
519 T A -2.4755
520 K A -1.7478
521 L A 0.0000
522 I A 0.0000
523 G A 0.0000
524 L A 0.0000
525 S A 0.0000
526 Y A 0.0000
527 G A 0.0000
528 A A -0.5088
529 G A -0.5255
530 G A -0.8512
531 K A -1.0102
532 W A 0.0000
533 E A -0.0658
534 T A 0.0000
535 V A 0.0000
536 Y A -0.8838
537 D A -1.7819
538 G A -1.8922
539 T A -1.1756
540 K A -0.7980
541 T A 0.2815
542 V A 1.0483
543 Q A -0.1795
544 G A -0.5935
545 G A -0.2091
546 T A -1.0753
547 W A 0.0000
548 E A -2.8848
549 P A -2.2601
550 G A -2.6962
551 R A -3.6132
552 E A -3.1787
553 Y A 0.0000
554 Q A 0.0000
555 V A 0.0000
556 A A 0.0000
557 L A 0.0000
558 M A 0.0000
559 L A 0.0000
560 Q A -1.6372
561 D A -2.3371
562 G A 0.0000
563 N A -1.1221
564 K A -1.3009
565 G A 0.0000
566 F A -0.1112
567 V A 0.0000
568 Y A 1.0489
569 V A 0.0000
570 D A -0.1218
571 G A 0.0000
572 V A 2.0487
573 L A 1.1994
574 V A 0.0000
575 G A -0.4500
576 N A -1.2550
577 P A -0.5960
578 A A -0.3170
579 M A 0.2958
580 L A 0.0000
581 P A -1.0474
582 T A -1.4570
583 P A -1.4844
584 E A -2.4569
585 E A -2.4798
586 R A -1.2022
587 W A -0.2179
588 T A -0.5091
589 E A -0.8938
590 F A 0.0000
591 S A -1.0835
592 H A -0.5239
593 F A 0.0000
594 Y A 0.0000
595 F A 0.0000
596 G A 0.0000
597 G A 0.0000
598 D A -1.8498
599 E A -2.5404
600 G A -1.7655
601 D A -1.6974
602 S A -1.2980
603 G A -0.8788
604 S A 0.0000
605 D A -0.6775
606 A A 0.0000
607 T A -0.8043
608 L A 0.0000
609 T A -0.9384
610 D A -0.9291
611 V A 0.0000
612 F A 0.0000
613 L A 0.0000
614 Y A 0.0000
615 N A -0.7453
616 R A -1.0349
617 P A -0.6588
618 L A 0.0000
619 S A 0.0231
620 V A 1.1098
621 G A -0.2165
622 E A -0.4788
623 L A 0.0000
624 K A -1.1599
625 M A -0.9560
626 I A 0.0000
627 K A -2.4561
628 E A -2.8610
629 V A -1.7396
630 E A -3.0181
631 D A -2.6492
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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
FR286A -0.9449 -0.0042 View CSV PDB
VR620A -1.1527 -0.0019 View CSV PDB
VK620A -0.7841 -0.0019 View CSV PDB
LD331A -0.3619 -0.0015 View CSV PDB
VK572A -0.2502 -0.0007 View CSV PDB
VE572A -0.1261 -0.0008 View CSV PDB
LR331A 0.2892 -0.0057 View CSV PDB
FE286A 0.6913 -0.0035 View CSV PDB
LR573A 0.5998 0.0054 View CSV PDB
LK573A 0.7962 0.008 View CSV PDB
YK568A 1.8739 0.0157 View CSV PDB
YR568A 2.2146 0.0147 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018