Project name: EL1

Status: done

Started: 2026-01-12 21:12:20
Settings
Chain sequence(s) A: MAGRGWGALWVCVAAATLLHAGGLARADCWLIEGDKGFVWLAICSQNQPPYEAIPQQINSTIVDLRLNENRIRSVQYASLSRFGNLTYLNLTKNEIGYIEDGAFSGQFNLQVLQLGYNRLRNLTEGMLRGLGKLEYLYLQANLIEVVMASSFWECPNIVNIDLSMNRIQQLNSGTFAGLAKLSVCELYSNPFYCSCELLGFLRWLAAFTNATQTYDRMQCESPPVYSGYYLLGQGRRGHRSILSKLQSVCTEDSYAAEVVGPPRPASGRSQPGRSPPPPPPPEPSDMPCADDECFSGDGTTPLVALPTLATQAEARPLIKVKQLTQNSATITVQLPSPFHRMYTLEHFNNSKASTVSRLTKAQEEIRLTNLFTLTNYTYCVVSTSAGLRHNHTCLTICLPRLPSPPGPVPSPSTATHYIMTILGCLFGMVLVLGAVYYCLRRRRRQEEKHKKAASAAAAGSLKKTIIELKYGPELEAPGLAPLSQGPLLGPEAVTRIPYLPAAGEVEQYKLVESADTPKASKGSYMEVRTGDPPERRDCELGRPGPDSQSSVAEISTIAKEVDKVNQIINNCIDALKSESTSFQGVKSGPVSVAEPPLVLLSEPLAAKHGFLAPGYKDAFGHSLQRHHSVEAAGPPRASTSSSGSVRSPRAFRAEAVGVHKAAAAEAKYIEKGSPAADAILTVTPAAAVLRAEAEKGRQYGEHRHSYPGSHPAEPPAPPGPPPPPPHEGLGRKASILEPLTRPRPRDLAYSQLSPQYHSLSYSSSPEYTCRASQSIWERFRLSRRRHKEEEEFMAAGHALRKKVQFAKDEDLHDILDYWKGVSAQHKS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:17:21)
[INFO]       Auto_mut: Residue number 430 from chain A and a score of 5.057 (valine) selected for  
                       automated muatation                                                         (00:17:41)
[INFO]       Auto_mut: Residue number 432 from chain A and a score of 5.012 (valine) selected for  
                       automated muatation                                                         (00:17:41)
[INFO]       Auto_mut: Residue number 431 from chain A and a score of 4.875 (leucine) selected for 
                       automated muatation                                                         (00:17:41)
[INFO]       Auto_mut: Residue number 427 from chain A and a score of 4.862 (phenylalanine)        
                       selected for automated muatation                                            (00:17:41)
[INFO]       Auto_mut: Residue number 433 from chain A and a score of 4.742 (leucine) selected for 
                       automated muatation                                                         (00:17:41)
[INFO]       Auto_mut: Residue number 426 from chain A and a score of 4.625 (leucine) selected for 
                       automated muatation                                                         (00:17:41)
[INFO]       Auto_mut: Mutating residue number 430 from chain A (valine) into glutamic acid        (00:17:41)
[INFO]       Auto_mut: Mutating residue number 430 from chain A (valine) into aspartic acid        (00:17:41)
[INFO]       Auto_mut: Mutating residue number 432 from chain A (valine) into glutamic acid        (00:17:41)
[INFO]       Auto_mut: Mutating residue number 430 from chain A (valine) into arginine             (00:25:50)
[INFO]       Auto_mut: Mutating residue number 432 from chain A (valine) into lysine               (00:25:57)
[INFO]       Auto_mut: Mutating residue number 430 from chain A (valine) into lysine               (00:26:14)
[INFO]       Auto_mut: Mutating residue number 432 from chain A (valine) into aspartic acid        (00:34:17)
[INFO]       Auto_mut: Mutating residue number 431 from chain A (leucine) into glutamic acid       (00:34:27)
[INFO]       Auto_mut: Mutating residue number 431 from chain A (leucine) into aspartic acid       (00:34:28)
[INFO]       Auto_mut: Mutating residue number 432 from chain A (valine) into arginine             (00:42:01)
[INFO]       Auto_mut: Mutating residue number 431 from chain A (leucine) into arginine            (00:42:09)
[INFO]       Auto_mut: Mutating residue number 431 from chain A (leucine) into lysine              (00:42:36)
[INFO]       Auto_mut: Mutating residue number 427 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 427 from chain A (phenylalanine) into glutamic acid (00:49:38)
[INFO]       Auto_mut: Mutating residue number 427 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 427 from chain A (phenylalanine) into aspartic acid (00:49:39)
[INFO]       Auto_mut: Mutating residue number 433 from chain A (leucine) into glutamic acid       (00:50:37)
[INFO]       Auto_mut: Mutating residue number 427 from chain A (phenylalanine) into arginine      (00:57:01)
[INFO]       Auto_mut: Mutating residue number 427 from chain A (phenylalanine) into lysine        (00:57:49)
[INFO]       Auto_mut: Mutating residue number 433 from chain A (leucine) into lysine              (00:58:35)
[INFO]       Auto_mut: Mutating residue number 433 from chain A (leucine) into aspartic acid       (01:04:28)
[INFO]       Auto_mut: Mutating residue number 426 from chain A (leucine) into glutamic acid       (01:05:17)
[INFO]       Auto_mut: Mutating residue number 426 from chain A (leucine) into aspartic acid       (01:06:23)
[INFO]       Auto_mut: Mutating residue number 433 from chain A (leucine) into arginine            (01:11:58)
[INFO]       Auto_mut: Mutating residue number 426 from chain A (leucine) into lysine              (01:12:17)
[INFO]       Auto_mut: Mutating residue number 426 from chain A (leucine) into arginine            (01:13:24)
[INFO]       Auto_mut: Effect of mutation residue number 430 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.1986 kcal/mol, Difference in average score from 
                       the base case: -0.0244                                                      (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 430 from chain A (valine) into lysine:    
                       Energy difference: -0.4219 kcal/mol, Difference in average score from the   
                       base case: -0.0239                                                          (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 430 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.2546 kcal/mol, Difference in average score from  
                       the base case: -0.0264                                                      (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 430 from chain A (valine) into arginine:  
                       Energy difference: -0.7263 kcal/mol, Difference in average score from the   
                       base case: -0.0277                                                          (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 432 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.4580 kcal/mol, Difference in average score from 
                       the base case: -0.0263                                                      (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 432 from chain A (valine) into lysine:    
                       Energy difference: -0.9864 kcal/mol, Difference in average score from the   
                       base case: -0.0285                                                          (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 432 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.1015 kcal/mol, Difference in average score from 
                       the base case: -0.0251                                                      (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 432 from chain A (valine) into arginine:  
                       Energy difference: -0.6929 kcal/mol, Difference in average score from the   
                       base case: -0.0306                                                          (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 431 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.0972 kcal/mol, Difference in average score from  
                       the base case: -0.0283                                                      (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 431 from chain A (leucine) into lysine:   
                       Energy difference: 0.5263 kcal/mol, Difference in average score from the    
                       base case: -0.0277                                                          (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 431 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.3847 kcal/mol, Difference in average score from  
                       the base case: -0.0286                                                      (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 431 from chain A (leucine) into arginine: 
                       Energy difference: -0.5470 kcal/mol, Difference in average score from the   
                       base case: -0.0223                                                          (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 427 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 0.5036 kcal/mol, Difference in average    
                       score from the base case: -0.0244                                           (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 427 from chain A (phenylalanine) into     
                       lysine: Energy difference: 0.1354 kcal/mol, Difference in average score     
                       from the base case: -0.0248                                                 (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 427 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 0.7091 kcal/mol, Difference in average    
                       score from the base case: -0.0270                                           (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 427 from chain A (phenylalanine) into     
                       arginine: Energy difference: -0.3358 kcal/mol, Difference in average score  
                       from the base case: -0.0310                                                 (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 433 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.6375 kcal/mol, Difference in average score from  
                       the base case: -0.0239                                                      (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 433 from chain A (leucine) into lysine:   
                       Energy difference: 0.5013 kcal/mol, Difference in average score from the    
                       base case: -0.0230                                                          (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 433 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.4551 kcal/mol, Difference in average score from  
                       the base case: -0.0233                                                      (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 433 from chain A (leucine) into arginine: 
                       Energy difference: 0.6015 kcal/mol, Difference in average score from the    
                       base case: -0.0244                                                          (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 426 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.5608 kcal/mol, Difference in average score from  
                       the base case: -0.0212                                                      (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 426 from chain A (leucine) into lysine:   
                       Energy difference: 0.1221 kcal/mol, Difference in average score from the    
                       base case: -0.0257                                                          (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 426 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.8319 kcal/mol, Difference in average score from  
                       the base case: -0.0211                                                      (01:21:05)
[INFO]       Auto_mut: Effect of mutation residue number 426 from chain A (leucine) into arginine: 
                       Energy difference: 0.2796 kcal/mol, Difference in average score from the    
                       base case: -0.0226                                                          (01:21:05)
[INFO]       Main:     Simulation completed successfully.                                          (01:21:33)
Show buried residues

Minimal score value
-6.7149
Maximal score value
5.0571
Average score
-0.6008
Total score value
-497.4707

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 0.6115
2 A A -0.1138
3 G A -1.0172
4 R A -1.8110
5 G A -0.6076
6 W A 1.0380
7 G A 0.7678
8 A A 1.4049
9 L A 2.3407
10 W A 3.1038
11 V A 3.3202
12 C A 2.9721
13 V A 2.9478
14 A A 2.4023
15 A A 2.2645
16 A A 1.7793
17 T A 1.4028
18 L A 2.0282
19 L A 1.7330
20 H A 0.0139
21 A A 0.4614
22 G A 0.3232
23 G A 0.0610
24 L A 0.3896
25 A A -0.8897
26 R A -2.1878
27 A A -1.9064
28 D A -2.3114
29 C A -0.8684
30 W A 0.3390
31 L A 0.2285
32 I A -0.0967
33 E A -1.9630
34 G A -1.9222
35 D A -2.9296
36 K A -2.8009
37 G A -1.8427
38 F A -0.7440
39 V A 0.0000
40 W A -0.0189
41 L A 0.0000
42 A A 0.0000
43 I A 0.1600
44 C A 0.0000
45 S A -1.1935
46 Q A -1.7180
47 N A -1.8041
48 Q A -1.9868
49 P A -1.7671
50 P A -1.6792
51 Y A -1.7739
52 E A -2.7870
53 A A -1.7739
54 I A 0.0000
55 P A 0.0000
56 Q A -1.9724
57 Q A -1.9859
58 I A 0.0000
59 N A -1.2688
60 S A -0.9506
61 T A -0.4570
62 I A 0.0000
63 V A 0.2689
64 D A 0.0000
65 L A 0.0000
66 R A -0.3361
67 L A 0.0000
68 N A -1.0711
69 E A -1.4729
70 N A 0.0000
71 R A -2.9007
72 I A 0.0000
73 R A -2.6950
74 S A -1.4371
75 V A 0.0000
76 Q A -0.6224
77 Y A 0.1092
78 A A -0.0236
79 S A -0.3268
80 L A 0.0000
81 S A -0.1909
82 R A -0.8523
83 F A 0.0000
84 G A -0.2841
85 N A -0.5661
86 L A 0.0000
87 T A -0.0813
88 Y A 0.0000
89 L A 0.0000
90 N A -0.4923
91 L A 0.0000
92 T A 0.0000
93 K A -1.4995
94 N A 0.0000
95 E A -2.2821
96 I A 0.0000
97 G A -0.8278
98 Y A -0.2991
99 I A 0.0000
100 E A -1.2365
101 D A -2.4146
102 G A -1.6711
103 A A 0.0000
104 F A 0.0000
105 S A -0.2614
106 G A 0.1253
107 Q A 0.0000
108 F A 1.0811
109 N A 0.0641
110 L A 0.0000
111 Q A -0.5039
112 V A 0.0000
113 L A 0.0000
114 Q A -0.3315
115 L A 0.0000
116 G A 0.0000
117 Y A 0.0487
118 N A 0.0000
119 R A -1.3723
120 L A 0.0000
121 R A -1.7913
122 N A -1.0681
123 L A 0.0000
124 T A -0.9816
125 E A -1.6101
126 G A -2.0040
127 M A 0.0000
128 L A 0.0000
129 R A -1.9669
130 G A -0.5371
131 L A 0.0000
132 G A -0.6396
133 K A -1.0387
134 L A 0.0000
135 E A -0.8736
136 Y A 0.0000
137 L A 0.0000
138 Y A 0.0000
139 L A 0.0000
140 Q A 0.2248
141 A A 0.0381
142 N A 0.0000
143 L A -0.5948
144 I A 0.0000
145 E A -2.4750
146 V A -0.5852
147 V A 0.0000
148 M A 0.2810
149 A A 0.1115
150 S A -0.1035
151 S A 0.0000
152 F A 0.0000
153 W A 0.2842
154 E A -0.7904
155 C A 0.0000
156 P A -0.7932
157 N A -1.2113
158 I A 0.0000
159 V A -0.2796
160 N A 0.0000
161 I A 0.0000
162 D A 0.0000
163 L A 0.0000
164 S A 0.0000
165 M A 0.0404
166 N A 0.0000
167 R A -2.4084
168 I A 0.0000
169 Q A -1.5610
170 Q A -1.2606
171 L A 0.0000
172 N A -1.1034
173 S A -0.8694
174 G A -0.2445
175 T A 0.0000
176 F A 0.0000
177 A A -0.1358
178 G A -0.4969
179 L A 0.0000
180 A A -0.8868
181 K A -1.6699
182 L A -0.5473
183 S A -0.2592
184 V A 0.1164
185 C A 0.0000
186 E A -0.3494
187 L A 0.0000
188 Y A 0.0000
189 S A -0.9226
190 N A 0.0000
191 P A -1.6468
192 F A 0.0000
193 Y A -0.5409
194 C A 0.0000
195 S A -0.3329
196 C A -0.7246
197 E A -1.7492
198 L A 0.0000
199 L A 0.0000
200 G A -0.8658
201 F A 0.0000
202 L A 0.0000
203 R A -0.9635
204 W A -0.3524
205 L A 0.0000
206 A A -0.3289
207 A A -0.3096
208 F A -0.1855
209 T A -0.5896
210 N A -1.3573
211 A A -0.6667
212 T A 0.0000
213 Q A -1.6600
214 T A -1.2696
215 Y A -1.5998
216 D A -2.6938
217 R A -2.1380
218 M A 0.0000
219 Q A -1.4814
220 C A 0.0000
221 E A -1.8749
222 S A -0.6609
223 P A 0.1007
224 P A 0.2085
225 V A 1.4294
226 Y A 0.1399
227 S A -0.5067
228 G A -0.9492
229 Y A -0.8613
230 Y A -1.4442
231 L A 0.0000
232 L A -0.9811
233 G A -2.0590
234 Q A -2.5799
235 G A -2.8874
236 R A -3.3083
237 R A -3.5281
238 G A -2.6950
239 H A -2.9490
240 R A -2.6680
241 S A -1.4684
242 I A 0.0000
243 L A -0.7792
244 S A -0.9528
245 K A -1.0691
246 L A 0.0000
247 Q A -1.1383
248 S A -0.1849
249 V A 0.8447
250 C A -0.4600
251 T A -1.1924
252 E A -2.4672
253 D A -2.5245
254 S A -1.4927
255 Y A -0.8435
256 A A -0.5872
257 A A -0.1599
258 E A -0.4648
259 V A 1.6847
260 V A 1.8979
261 G A 0.3895
262 P A -0.3739
263 P A -1.1549
264 R A -2.2123
265 P A -1.3239
266 A A -1.0304
267 S A -1.1168
268 G A -1.6608
269 R A -2.4719
270 S A -1.8770
271 Q A -2.1578
272 P A -1.4920
273 G A -1.8398
274 R A -2.4391
275 S A -1.4210
276 P A -1.0151
277 P A -0.8460
278 P A -0.6720
279 P A -0.6763
280 P A -0.8556
281 P A -1.0325
282 P A -1.4315
283 E A -2.3949
284 P A -1.5876
285 S A -1.4304
286 D A -1.6812
287 M A 0.1234
288 P A 0.2041
289 C A 0.4630
290 A A -1.0175
291 D A -2.7176
292 D A -3.3135
293 E A -2.1843
294 C A 0.0084
295 F A 1.7011
296 S A 0.2519
297 G A -1.1386
298 D A -2.3034
299 G A -1.4735
300 T A -0.8118
301 T A 0.1719
302 P A 0.8486
303 L A 2.5027
304 V A 2.8878
305 A A 1.9951
306 L A 2.2786
307 P A 1.0265
308 T A 1.1498
309 L A 1.4878
310 A A 0.4834
311 T A -0.4398
312 Q A -1.5804
313 A A -1.5960
314 E A -2.5617
315 A A -1.4946
316 R A -1.7629
317 P A 0.0000
318 L A -0.1187
319 I A 0.0000
320 K A -1.7074
321 V A -0.9553
322 K A -2.3675
323 Q A -1.8175
324 L A -0.7922
325 T A -1.0050
326 Q A -1.5944
327 N A -1.3987
328 S A -1.3551
329 A A 0.0000
330 T A 0.0000
331 I A 0.0000
332 T A -2.1153
333 V A 0.0000
334 Q A -1.8137
335 L A 0.0000
336 P A -0.8908
337 S A -0.4984
338 P A -0.0042
339 F A 0.6159
340 H A -0.4771
341 R A -0.2873
342 M A 0.4267
343 Y A 0.0000
344 T A 0.0000
345 L A 0.0000
346 E A 0.0000
347 H A -0.2009
348 F A -0.9400
349 N A -2.3615
350 N A -2.3282
351 S A -1.8469
352 K A -2.4904
353 A A -1.1860
354 S A -0.5393
355 T A -0.0595
356 V A 0.3372
357 S A -0.5856
358 R A -1.7535
359 L A 0.0000
360 T A -1.2255
361 K A -2.5175
362 A A -1.4302
363 Q A -2.4543
364 E A -2.2666
365 E A -3.0662
366 I A -1.6096
367 R A -2.4340
368 L A 0.0000
369 T A -1.2823
370 N A -1.2796
371 L A 0.0000
372 F A 1.1643
373 T A 0.6217
374 L A 1.3755
375 T A 0.5770
376 N A -0.5489
377 Y A -0.1110
378 T A -0.2397
379 Y A 0.0000
380 C A 0.0000
381 V A 0.0000
382 V A 0.0000
383 S A 0.0000
384 T A -0.6879
385 S A -0.3896
386 A A -0.0640
387 G A -0.2800
388 L A 0.1266
389 R A -1.7640
390 H A -1.6152
391 N A -1.2401
392 H A 0.0000
393 T A -0.1521
394 C A 0.5687
395 L A 0.3502
396 T A -0.0146
397 I A 0.0000
398 C A 0.4822
399 L A 0.0000
400 P A -0.5321
401 R A -1.2189
402 L A -0.4928
403 P A -0.6149
404 S A -0.6645
405 P A -0.6083
406 P A -0.4785
407 G A -0.4098
408 P A 0.1921
409 V A 1.2818
410 P A 0.2643
411 S A -0.0997
412 P A -0.4255
413 S A -0.5373
414 T A -0.0017
415 A A 0.4706
416 T A 0.7386
417 H A 0.6988
418 Y A 2.3859
419 I A 3.2144
420 M A 2.8942
421 T A 2.7211
422 I A 3.9255
423 L A 4.0202
424 G A 3.0594
425 C A 3.6128
426 L A 4.6255
427 F A 4.8618
428 G A 3.8299
429 M A 4.4043
430 V A 5.0571
431 L A 4.8750
432 V A 5.0123
433 L A 4.7421
434 G A 3.4563
435 A A 3.2084
436 V A 3.5039
437 Y A 2.6978
438 Y A 1.4076
439 C A 0.0919
440 L A -0.7314
441 R A -3.1709
442 R A -4.3159
443 R A -5.0927
444 R A -6.0415
445 R A -6.5101
446 Q A -6.1666
447 E A -6.7149
448 E A -6.6326
449 K A -5.9176
450 H A -4.9895
451 K A -4.9512
452 K A -4.2260
453 A A -2.5490
454 A A -1.7952
455 S A -1.4693
456 A A -0.7996
457 A A -0.3717
458 A A -0.0415
459 A A -0.1886
460 G A -0.6791
461 S A -0.4634
462 L A 0.6408
463 K A -1.2202
464 K A -1.3406
465 T A -0.1591
466 I A 1.0899
467 I A 1.0847
468 E A -0.7207
469 L A 0.9002
470 K A -0.0983
471 Y A 0.6661
472 G A -0.6428
473 P A -0.9918
474 E A -1.6523
475 L A -0.2972
476 E A -1.4166
477 A A -0.7773
478 P A -0.5295
479 G A 0.1883
480 L A 1.2442
481 A A 0.8933
482 P A 0.7933
483 L A 1.0905
484 S A -0.1653
485 Q A -1.3075
486 G A -0.9810
487 P A 0.2430
488 L A 2.0334
489 L A 2.0415
490 G A 0.2920
491 P A -0.9441
492 E A -1.6520
493 A A -0.1600
494 V A 1.0337
495 T A 0.3979
496 R A -0.5503
497 I A 1.1773
498 P A 1.3563
499 Y A 2.3189
500 L A 2.0325
501 P A 0.7509
502 A A 0.1459
503 A A -0.6230
504 G A -0.9401
505 E A -1.4469
506 V A -0.4063
507 E A -1.7441
508 Q A -1.5715
509 Y A -0.1922
510 K A -0.3207
511 L A 1.5719
512 V A 1.2579
513 E A -0.7671
514 S A -1.0768
515 A A -1.3605
516 D A -1.8924
517 T A -1.4249
518 P A -1.5477
519 K A -1.8647
520 A A -1.3921
521 S A -1.4885
522 K A -2.0543
523 G A -1.1448
524 S A 0.0777
525 Y A 1.3241
526 M A 1.2406
527 E A -0.5990
528 V A 0.2479
529 R A -1.5201
530 T A -1.2259
531 G A -1.8174
532 D A -2.2222
533 P A -1.8157
534 P A -2.0227
535 E A -3.2303
536 R A -4.0784
537 R A -3.9522
538 D A -3.2642
539 C A -1.1657
540 E A -1.1639
541 L A 0.2407
542 G A -1.0805
543 R A -2.0592
544 P A -1.9220
545 G A -1.9051
546 P A -1.9584
547 D A -2.3761
548 S A -1.4803
549 Q A -1.6832
550 S A -1.0133
551 S A -0.2512
552 V A 1.1013
553 A A 0.3907
554 E A -0.1016
555 I A 2.0892
556 S A 0.6806
557 T A 0.2918
558 I A 1.2063
559 A A -0.1351
560 K A -2.1190
561 E A -2.2586
562 V A -0.4086
563 D A -2.4414
564 K A -2.3847
565 V A -0.2234
566 N A -1.3898
567 Q A -1.4061
568 I A 1.2264
569 I A 0.8286
570 N A -0.9661
571 N A -1.0477
572 C A 0.3482
573 I A 0.2165
574 D A -2.1251
575 A A -1.0667
576 L A -0.4865
577 K A -2.2264
578 S A -1.8499
579 E A -2.0685
580 S A -1.2810
581 T A -0.8487
582 S A -0.5961
583 F A 0.9459
584 Q A -0.4405
585 G A -0.0902
586 V A 0.6865
587 K A -1.3049
588 S A -1.0085
589 G A -0.7498
590 P A 0.2588
591 V A 1.8105
592 S A 1.5635
593 V A 1.6731
594 A A -0.0380
595 E A -1.6098
596 P A -1.0696
597 P A 0.3146
598 L A 2.7157
599 V A 3.6642
600 L A 3.4445
601 L A 2.2325
602 S A -0.0410
603 E A -1.4311
604 P A -0.4069
605 L A 1.1054
606 A A 0.3830
607 A A -0.8034
608 K A -2.2229
609 H A -1.6334
610 G A -0.1547
611 F A 2.3820
612 L A 2.4535
613 A A 1.1049
614 P A 0.1474
615 G A -0.3796
616 Y A -0.1910
617 K A -1.9454
618 D A -2.0634
619 A A -0.4043
620 F A 0.8620
621 G A -0.0394
622 H A -0.5470
623 S A -0.3702
624 L A 0.0363
625 Q A -1.7867
626 R A -2.7905
627 H A -2.5288
628 H A -1.6350
629 S A -0.3781
630 V A 0.6139
631 E A -1.0671
632 A A -0.5005
633 A A -0.6043
634 G A -0.5991
635 P A -0.9753
636 P A -1.3507
637 R A -2.0316
638 A A -1.0308
639 S A -0.6429
640 T A -0.3108
641 S A -0.4372
642 S A -0.5394
643 S A -0.6402
644 G A -0.3869
645 S A -0.0260
646 V A 0.5293
647 R A -1.0702
648 S A -1.2693
649 P A -1.7027
650 R A -1.6085
651 A A -0.5253
652 F A 0.6300
653 R A -1.1541
654 A A -1.2481
655 E A -1.8136
656 A A -0.0698
657 V A 1.5682
658 G A 1.1292
659 V A 1.0941
660 H A -1.0297
661 K A -1.7939
662 A A -0.9214
663 A A -0.4374
664 A A -0.4373
665 A A -0.8580
666 E A -2.0829
667 A A -1.4658
668 K A -1.0866
669 Y A 1.0321
670 I A 0.8137
671 E A -1.4786
672 K A -2.4345
673 G A -1.7389
674 S A -0.9025
675 P A -0.5896
676 A A -0.4384
677 A A -0.6084
678 D A -1.0576
679 A A 0.5909
680 I A 2.4614
681 L A 2.5590
682 T A 1.7062
683 V A 1.5066
684 T A 0.5145
685 P A 0.0429
686 A A 0.1773
687 A A 0.1696
688 A A 0.2534
689 V A 0.1514
690 L A -0.3004
691 R A -0.7889
692 A A -0.6243
693 E A -0.7474
694 A A 0.0000
695 E A -2.1351
696 K A -1.9134
697 G A -1.4621
698 R A -1.8034
699 Q A -2.4153
700 Y A -1.0190
701 G A -1.8064
702 E A -3.1382
703 H A -2.9446
704 R A -3.0988
705 H A -2.0825
706 S A -0.9687
707 Y A 0.3654
708 P A -0.2038
709 G A -0.6706
710 S A -0.8392
711 H A -1.5999
712 P A -1.3081
713 A A -1.3190
714 E A -2.1620
715 P A -1.2719
716 P A -0.8636
717 A A -0.6030
718 P A -0.5403
719 P A -0.7103
720 G A -0.8446
721 P A -0.7122
722 P A -0.7197
723 P A -0.6818
724 P A -0.6088
725 P A -0.7801
726 P A -1.4016
727 H A -2.1369
728 E A -2.2345
729 G A -0.9426
730 L A 0.0491
731 G A -1.2595
732 R A -2.6341
733 K A -2.6550
734 A A -0.9343
735 S A 0.5809
736 I A 2.2915
737 L A 1.5070
738 E A -0.5232
739 P A -0.1921
740 L A 0.6564
741 T A -0.2610
742 R A -2.0981
743 P A -2.2291
744 R A -2.8333
745 P A -2.4386
746 R A -2.8800
747 D A -1.9716
748 L A 0.6025
749 A A 0.9342
750 Y A 1.2903
751 S A 0.3657
752 Q A -0.2900
753 L A 0.7615
754 S A -0.1080
755 P A -0.3779
756 Q A -0.9537
757 Y A 0.1314
758 H A -0.3642
759 S A 0.2236
760 L A 1.3999
761 S A 1.1837
762 Y A 1.3692
763 S A 0.2720
764 S A -0.1789
765 S A -0.8413
766 P A -1.0413
767 E A -1.3781
768 Y A 0.5191
769 T A 0.1902
770 C A -0.0714
771 R A -1.4575
772 A A -1.0210
773 S A -1.1701
774 Q A -0.8973
775 S A 0.1052
776 I A 1.4550
777 W A 1.1329
778 E A -1.4568
779 R A -1.4874
780 F A 0.2062
781 R A -1.3002
782 L A -0.0306
783 S A -1.5495
784 R A -3.2238
785 R A -4.3552
786 R A -5.2609
787 H A -5.2622
788 K A -5.1447
789 E A -5.0073
790 E A -4.2382
791 E A -3.9908
792 E A -3.2298
793 F A -0.4486
794 M A -0.4793
795 A A -0.9159
796 A A -0.4956
797 G A -0.7666
798 H A -1.5752
799 A A -1.1310
800 L A -1.1578
801 R A -2.4090
802 K A -2.3110
803 K A -1.4864
804 V A -1.0856
805 Q A -0.5402
806 F A 0.3628
807 A A -1.5316
808 K A -3.0247
809 D A -3.8883
810 E A -4.0967
811 D A -3.2153
812 L A -2.7785
813 H A -3.1186
814 D A -3.1908
815 I A -1.4648
816 L A -1.3213
817 D A -2.3908
818 Y A -0.4909
819 W A -0.6831
820 K A -2.1870
821 G A -1.2229
822 V A -1.0524
823 S A -1.6587
824 A A -1.8974
825 Q A -2.4270
826 H A -2.5789
827 K A -2.6206
828 S A -1.6876
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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
VK432A -0.9864 -0.0285 View CSV PDB
VR432A -0.6929 -0.0306 View CSV PDB
VR430A -0.7263 -0.0277 View CSV PDB
FR427A -0.3358 -0.031 View CSV PDB
LR431A -0.547 -0.0223 View CSV PDB
VK430A -0.4219 -0.0239 View CSV PDB
LE431A 0.0972 -0.0283 View CSV PDB
LK426A 0.1221 -0.0257 View CSV PDB
FK427A 0.1354 -0.0248 View CSV PDB
LR426A 0.2796 -0.0226 View CSV PDB
LK433A 0.5013 -0.023 View CSV PDB
LR433A 0.6015 -0.0244 View CSV PDB
 

Laboratory of Theory of Biopolymers 2018