Project name: ????

Status: done

Started: 2025-02-06 07:49:03
Settings
Chain sequence(s) A: TWLSDFPQAWAETGGMGLAVRQAPLIIPLKPGSTPVSIKQYPMSQEARLGIKPHIQRLLDQGILVPCQSPWNTPLLPVKKPGTNDYRPVQDLREVNKRVEDIHPTVPNPYNLLSGLPPSHQWYTVLDLKDAYFCLRLHPTSQPLFAFEWRDPEMGISGQLTWTRLPQGFKNSPTLFDEALHRDLADFRIQHPDLILLQYVDDLLLAATSELDCQQGTRALLQTLGNLGYRASAKKAQICQKQVKYLGYLLKEGQRWLTEARKETVMGKPTPKTPRQLREFLGTAGFCRLWIPGFAEMAAPLYPLTKTGTLFNWGPDQQKAYQEIKQALLTAPALGLPDLTKPFELFVDEKQGYAKGVLTQKLGPWRRPVAYLSKKLDPVAAGWPPCLRMVAAIAVLTKDAGKLTMGQPLVILAPHAVEALVKQPPDRWLSNARMTHYQALLLDTDRVQFGPVVALNPATLLPLPEEGLQHNCLDILAEAHGTRPDLTDQPLPDADHTWYTDGSSLLQEGQRKAGAAVTTETEVIWAKALPAGTSAQRAELIALTQALKMAEGKKLNVYTNSRYAFATAHIHGEIYRRRGLLTSEGKEIKNKDEILALLKALFLPKRLSIIHCPGHQKGHSAEARGNRMADQAARKAAITE
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                                          (00:10:20)
[INFO]       Auto_mut: Residue number 81 from chain A and a score of 1.815 (isoleucine) selected   
                       for automated muatation                                                     (00:10:25)
[INFO]       Auto_mut: Residue number 531 from chain A and a score of 1.780 (leucine) selected for 
                       automated muatation                                                         (00:10:25)
[INFO]       Auto_mut: Residue number 530 from chain A and a score of 1.760 (isoleucine) selected  
                       for automated muatation                                                     (00:10:25)
[INFO]       Auto_mut: Residue number 625 from chain A and a score of 1.629 (isoleucine) selected  
                       for automated muatation                                                     (00:10:25)
[INFO]       Auto_mut: Residue number 131 from chain A and a score of 1.606 (leucine) selected for 
                       automated muatation                                                         (00:10:25)
[INFO]       Auto_mut: Residue number 579 from chain A and a score of 1.376 (isoleucine) selected  
                       for automated muatation                                                     (00:10:25)
[INFO]       Auto_mut: Mutating residue number 81 from chain A (isoleucine) into glutamic acid     (00:10:25)
[INFO]       Auto_mut: Mutating residue number 81 from chain A (isoleucine) into aspartic acid     (00:10:25)
[INFO]       Auto_mut: Mutating residue number 531 from chain A (leucine) into glutamic acid       (00:10:25)
[INFO]       Auto_mut: Mutating residue number 81 from chain A (isoleucine) into lysine            (00:14:50)
[INFO]       Auto_mut: Mutating residue number 81 from chain A (isoleucine) into arginine          (00:14:50)
[INFO]       Auto_mut: Mutating residue number 531 from chain A (leucine) into lysine              (00:14:53)
[INFO]       Auto_mut: Mutating residue number 531 from chain A (leucine) into aspartic acid       (00:19:20)
[INFO]       Auto_mut: Mutating residue number 530 from chain A (isoleucine) into glutamic acid    (00:19:26)
[INFO]       Auto_mut: Mutating residue number 530 from chain A (isoleucine) into aspartic acid    (00:19:35)
[INFO]       Auto_mut: Mutating residue number 531 from chain A (leucine) into arginine            (00:24:10)
[INFO]       Auto_mut: Mutating residue number 530 from chain A (isoleucine) into lysine           (00:24:12)
[INFO]       Auto_mut: Mutating residue number 530 from chain A (isoleucine) into arginine         (00:24:21)
[INFO]       Auto_mut: Mutating residue number 625 from chain A (isoleucine) into glutamic acid    (00:29:11)
[INFO]       Auto_mut: Mutating residue number 625 from chain A (isoleucine) into aspartic acid    (00:29:17)
[INFO]       Auto_mut: Mutating residue number 131 from chain A (leucine) into glutamic acid       (00:29:18)
[INFO]       Auto_mut: Mutating residue number 625 from chain A (isoleucine) into lysine           (00:33:32)
[INFO]       Auto_mut: Mutating residue number 625 from chain A (isoleucine) into arginine         (00:33:43)
[INFO]       Auto_mut: Mutating residue number 131 from chain A (leucine) into lysine              (00:33:56)
[INFO]       Auto_mut: Mutating residue number 131 from chain A (leucine) into aspartic acid       (00:38:06)
[INFO]       Auto_mut: Mutating residue number 579 from chain A (isoleucine) into glutamic acid    (00:38:10)
[INFO]       Auto_mut: Mutating residue number 579 from chain A (isoleucine) into aspartic acid    (00:38:47)
[INFO]       Auto_mut: Mutating residue number 131 from chain A (leucine) into arginine            (00:42:30)
[INFO]       Auto_mut: Mutating residue number 579 from chain A (isoleucine) into lysine           (00:42:47)
[INFO]       Auto_mut: Mutating residue number 579 from chain A (isoleucine) into arginine         (00:43:11)
[INFO]       Auto_mut: Effect of mutation residue number 81 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.5175 kcal/mol, Difference in average    
                       score from the base case: -0.0218                                           (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 81 from chain A (isoleucine) into lysine: 
                       Energy difference: -0.0406 kcal/mol, Difference in average score from the   
                       base case: -0.0223                                                          (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 81 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 0.6159 kcal/mol, Difference in average    
                       score from the base case: -0.0215                                           (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 81 from chain A (isoleucine) into         
                       arginine: Energy difference: 0.0308 kcal/mol, Difference in average score   
                       from the base case: -0.0227                                                 (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.5155 kcal/mol, Difference in average score from  
                       the base case: -0.0253                                                      (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain A (leucine) into lysine:   
                       Energy difference: 0.2899 kcal/mol, Difference in average score from the    
                       base case: -0.0249                                                          (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.9910 kcal/mol, Difference in average score from  
                       the base case: -0.0243                                                      (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain A (leucine) into arginine: 
                       Energy difference: -0.3613 kcal/mol, Difference in average score from the   
                       base case: -0.0164                                                          (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 530 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: 0.0449 kcal/mol, Difference in average    
                       score from the base case: -0.0287                                           (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 530 from chain A (isoleucine) into        
                       lysine: Energy difference: -0.3442 kcal/mol, Difference in average score    
                       from the base case: -0.0320                                                 (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 530 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: 0.3384 kcal/mol, Difference in average    
                       score from the base case: -0.0283                                           (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 530 from chain A (isoleucine) into        
                       arginine: Energy difference: -0.3193 kcal/mol, Difference in average score  
                       from the base case: -0.0312                                                 (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 625 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: -0.6948 kcal/mol, Difference in average   
                       score from the base case: -0.0241                                           (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 625 from chain A (isoleucine) into        
                       lysine: Energy difference: -0.8949 kcal/mol, Difference in average score    
                       from the base case: -0.0217                                                 (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 625 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: -0.8886 kcal/mol, Difference in average   
                       score from the base case: -0.0219                                           (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 625 from chain A (isoleucine) into        
                       arginine: Energy difference: -1.0894 kcal/mol, Difference in average score  
                       from the base case: -0.0209                                                 (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 131 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.6407 kcal/mol, Difference in average score from  
                       the base case: -0.0174                                                      (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 131 from chain A (leucine) into lysine:   
                       Energy difference: 0.1266 kcal/mol, Difference in average score from the    
                       base case: -0.0156                                                          (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 131 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.9304 kcal/mol, Difference in average score from  
                       the base case: -0.0131                                                      (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 131 from chain A (leucine) into arginine: 
                       Energy difference: 0.2652 kcal/mol, Difference in average score from the    
                       base case: -0.0163                                                          (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 579 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: 1.1903 kcal/mol, Difference in average    
                       score from the base case: -0.0141                                           (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 579 from chain A (isoleucine) into        
                       lysine: Energy difference: 0.8306 kcal/mol, Difference in average score     
                       from the base case: -0.0146                                                 (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 579 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: 1.6234 kcal/mol, Difference in average    
                       score from the base case: -0.0175                                           (00:47:39)
[INFO]       Auto_mut: Effect of mutation residue number 579 from chain A (isoleucine) into        
                       arginine: Energy difference: 1.0148 kcal/mol, Difference in average score   
                       from the base case: -0.0162                                                 (00:47:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:47:48)
Show buried residues
Minimal score value
-3.6673
Maximal score value
1.8153
Average score
-0.8148
Total score value
-521.4773
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
56 T A -0.1649
57 W A -0.0855
58 L A -0.0622
59 S A -0.5510
60 D A -1.2957
61 F A 0.0000
62 P A -0.9498
63 Q A -1.3187
64 A A 0.0000
65 W A 0.0000
66 A A -1.3769
67 E A -1.5200
68 T A -0.8192
69 G A -0.8282
70 G A -0.7204
71 M A -0.6208
72 G A 0.0000
73 L A 0.5540
74 A A 0.0000
75 V A 0.9492
76 R A -0.7659
77 Q A 0.0000
78 A A 0.0840
79 P A -0.1500
80 L A 0.7670
81 I A 1.8153
82 I A 0.0000
83 P A -0.2248
84 L A -0.9309
85 K A -1.9376
86 P A -1.0348
87 G A -0.9115
88 S A -1.0346
89 T A -0.4369
90 P A -0.2969
91 V A -0.0678
92 S A -0.5538
93 I A -0.5838
94 K A -1.5730
95 Q A -0.7492
96 Y A 0.3715
97 P A -0.2755
98 M A 0.0000
99 S A -0.9235
100 Q A -1.7976
101 E A -2.2876
102 A A 0.0000
103 R A 0.0000
104 L A 0.2158
105 G A -1.5232
106 I A 0.0000
107 K A -0.9742
108 P A -1.2151
109 H A -1.5916
110 I A 0.0000
111 Q A -2.2658
112 R A -3.0223
113 L A -1.6440
114 L A -1.3419
115 D A -2.7562
116 Q A -2.1452
117 G A -1.2636
118 I A 0.0000
119 L A 0.0000
120 V A 0.2615
121 P A -0.1902
122 C A -0.6239
123 Q A -1.3975
124 S A -0.8828
125 P A -0.5379
126 W A 0.0000
127 N A 0.0000
128 T A 0.0000
129 P A -0.0602
130 L A 0.0000
131 L A 1.6061
132 P A 0.3912
133 V A -0.5013
134 K A -3.1636
135 K A -3.2955
136 P A -1.9536
137 G A -1.6860
138 T A -2.2521
139 N A -3.4128
140 D A -3.6673
141 Y A -2.4366
142 R A -2.3514
143 P A -0.0708
144 V A 1.0873
145 Q A 0.0000
146 D A -0.8136
147 L A 0.0000
148 R A -2.9609
149 E A -2.1552
150 V A 0.0000
151 N A -2.5966
152 K A -3.1693
153 R A -2.4097
154 V A 0.0000
155 E A -2.3347
156 D A -2.6944
157 I A -1.1023
158 H A -1.2161
159 P A -0.8689
160 T A -0.5349
161 V A -0.2551
162 P A -0.5006
163 N A -0.6043
164 P A 0.0000
165 Y A 0.0000
166 N A -1.0389
167 L A -0.4028
168 L A 0.0000
169 S A 0.0000
170 G A -0.5207
171 L A 0.0000
172 P A -0.2952
173 P A -0.7853
174 S A -0.6260
175 H A 0.0000
176 Q A -1.7288
177 W A -1.3431
178 Y A 0.0000
179 T A 0.0000
180 V A 0.0000
181 L A 0.0000
182 D A -1.5956
183 L A 0.0000
184 K A -2.2774
185 D A -2.2907
186 A A 0.0000
187 Y A -0.7662
188 F A 0.0000
189 C A 0.0000
190 L A 0.0000
191 R A -0.3385
192 L A 0.0000
193 H A -0.0851
194 P A -0.3014
195 T A 0.1045
196 S A 0.0000
197 Q A -0.0965
198 P A -0.5338
199 L A 0.0000
200 F A 0.0000
201 A A 0.0000
202 F A 0.0000
203 E A -1.4829
204 W A 0.0000
205 R A -1.2604
206 D A -0.6181
207 P A -1.0813
208 E A -1.5770
209 M A 0.1334
210 G A -0.0779
211 I A 0.7452
212 S A -0.3211
213 G A -0.7559
214 Q A -0.8272
215 L A -0.2324
216 T A 0.0000
217 W A 0.0301
218 T A -0.3784
219 R A -0.5737
220 L A 0.0000
221 P A 0.0000
222 Q A -1.3630
223 G A -1.2701
224 F A 0.0000
225 K A -1.3960
226 N A 0.0000
227 S A 0.0000
228 P A -0.3240
229 T A -0.2700
230 L A -0.0421
231 F A 0.0000
232 D A 0.0000
233 E A -1.6862
234 A A 0.0000
235 L A 0.0000
236 H A -2.0454
237 R A -2.9384
238 D A 0.0000
239 L A 0.0000
240 A A -1.5058
241 D A -2.0609
242 F A 0.0000
243 R A -1.1357
244 I A 0.4025
245 Q A -1.2175
246 H A -1.1447
247 P A -1.1080
248 D A -2.2259
249 L A 0.0000
250 I A -0.3001
251 L A 0.0000
252 L A 0.0000
253 Q A 0.0000
254 Y A -0.0409
255 V A -0.1848
256 D A -0.8791
257 D A -0.7034
258 L A 0.0000
259 L A 0.0000
260 L A 0.0000
261 A A 0.0000
262 A A 0.0000
263 T A -0.7200
264 S A -0.5747
265 E A -1.2487
266 L A 0.0185
267 D A -1.4561
268 C A 0.0000
269 Q A -1.3661
270 Q A -1.9055
271 G A 0.0000
272 T A 0.0000
273 R A -1.8532
274 A A -1.1807
275 L A 0.0000
276 L A 0.0000
277 Q A -1.7045
278 T A -1.2526
279 L A 0.0000
280 G A -1.0064
281 N A -1.4816
282 L A 0.0000
283 G A 0.0000
284 Y A 0.0000
285 R A -1.0027
286 A A 0.0000
287 S A 0.0000
288 A A -1.5560
289 K A -2.7183
290 K A -2.6909
291 A A -1.3591
292 Q A -1.1914
293 I A -0.1397
294 C A -0.6616
295 Q A -1.6397
296 K A -2.3059
297 Q A -2.1260
298 V A 0.0000
299 K A -1.3741
300 Y A 0.0000
301 L A -0.1224
302 G A -0.6421
303 Y A 0.0000
304 L A -0.7400
305 L A 0.0000
306 K A -2.3043
307 E A -2.5189
308 G A -1.5204
309 Q A -1.1427
310 R A 0.0000
311 W A -0.2386
312 L A 0.0000
313 T A 0.0000
314 E A -2.2273
315 A A -1.7879
316 R A -1.4510
317 K A -1.7009
318 E A -2.7056
319 T A -1.7991
320 V A 0.0000
321 M A -1.5750
322 G A -1.9471
323 K A -2.3951
324 P A -1.4955
325 T A -1.2485
326 P A 0.0000
327 K A -2.2631
328 T A -1.8206
329 P A -2.3565
330 R A -3.5754
331 Q A -3.3264
332 L A 0.0000
333 R A -2.9796
334 E A -3.2516
335 F A 0.0000
336 L A -1.3815
337 G A -1.6308
338 T A -0.9598
339 A A 0.0000
340 G A -0.6942
341 F A -0.0637
342 C A 0.0000
343 R A -1.4917
344 L A -0.5557
345 W A 0.0000
346 I A 0.0000
347 P A -0.4761
348 G A 0.0000
349 F A 0.0000
350 A A 0.0000
351 E A -1.5859
352 M A -0.7562
353 A A 0.0000
354 A A -0.3923
355 P A -0.7741
356 L A 0.0000
357 Y A 0.2246
358 P A -0.0338
359 L A 0.0000
360 T A -1.1285
361 K A -1.8909
362 T A -1.1374
363 G A -0.5513
364 T A -0.1745
365 L A 0.9768
366 F A -0.1163
367 N A -0.8663
368 W A -1.1176
369 G A -1.5609
370 P A -2.1354
371 D A -2.9862
372 Q A -2.4625
373 Q A -2.8858
374 K A -3.5424
375 A A 0.0000
376 Y A 0.0000
377 Q A -3.0044
378 E A -2.2670
379 I A 0.0000
380 K A -1.0686
381 Q A -1.2695
382 A A 0.0000
383 L A 0.0000
384 L A 0.5486
385 T A 0.3348
386 A A 0.2568
387 P A 0.0225
388 A A -0.2397
389 L A 0.0000
390 G A -0.7078
391 L A 0.0000
392 P A 0.0000
393 D A -0.4154
394 L A 0.0170
395 T A -0.4719
396 K A -1.0981
397 P A -1.0284
398 F A 0.0000
399 E A -0.6043
400 L A 0.0000
401 F A 0.0000
402 V A 0.0000
403 D A -0.7323
404 E A 0.0000
405 K A -2.4028
406 Q A -2.2022
407 G A -1.9446
408 Y A -2.0363
409 A A 0.0000
410 K A -1.1242
411 G A 0.0000
412 V A 0.0000
413 L A 0.0000
414 T A 0.0000
415 Q A 0.0000
416 K A -1.1629
417 L A -0.2596
418 G A -0.3738
419 P A -0.2162
420 W A 0.2322
421 R A -1.0368
422 R A -1.1935
423 P A -0.6509
424 V A 0.0000
425 A A 0.0000
426 Y A 0.0000
427 L A 0.0000
428 S A -1.6204
429 K A -2.4233
430 K A -2.4861
431 L A 0.0000
432 D A -1.3837
433 P A -0.4345
434 V A 0.5981
435 A A 0.0000
436 A A -0.8119
437 G A -0.2863
438 W A 0.0000
439 P A -0.2563
440 P A -0.8037
441 C A -0.3863
442 L A 0.0000
443 R A -0.7796
444 M A 0.0000
445 V A 0.0000
446 A A 0.0000
447 A A 0.0000
448 I A 0.0000
449 A A 0.0000
450 V A -0.7486
451 L A 0.0000
452 T A 0.0000
453 K A -1.8083
454 D A -2.8272
455 A A 0.0000
456 G A -1.8788
457 K A -2.3592
458 L A 0.0000
459 T A 0.0000
460 M A -0.0392
461 G A -0.9128
462 Q A -1.0907
463 P A -1.5100
464 L A 0.0000
465 V A -0.4289
466 I A 0.0000
467 L A 0.0000
468 A A 0.0000
469 P A -0.7308
470 H A -0.4464
471 A A -0.4727
472 V A 0.0000
473 E A -2.0625
474 A A -1.5514
475 L A -1.3929
476 V A 0.0000
477 K A -2.5432
478 Q A -2.0854
479 P A -1.8760
480 P A -2.0636
481 D A -3.1602
482 R A -2.9785
483 W A -1.3360
484 L A 0.0000
485 S A -1.4351
486 N A -2.3056
487 A A -1.6172
488 R A -1.3159
489 M A 0.0000
490 T A -0.7533
491 H A -1.1627
492 Y A 0.0000
493 Q A -0.8861
494 A A -0.5407
495 L A -0.6207
496 L A 0.0000
497 L A -1.4538
498 D A -2.6210
499 T A -2.5072
500 D A -3.4566
501 R A -3.3799
502 V A 0.0000
503 Q A -2.1205
504 F A -0.7227
505 G A -0.5596
506 P A -0.6904
507 V A 0.0000
508 V A 0.0000
509 A A -0.8024
510 L A -0.1616
511 N A -0.2176
512 P A -0.3521
513 A A -0.1523
514 T A -0.1265
515 L A 0.0000
516 L A -0.0270
517 P A -0.3590
518 L A -0.4394
519 P A -1.3680
520 E A -2.5574
521 E A -2.4386
522 G A -0.7916
523 L A 0.1617
524 Q A -0.9593
525 H A -1.0582
526 N A -0.2894
527 C A 0.4115
528 L A 0.3905
529 D A -0.4518
530 I A 1.7604
531 L A 1.7802
532 A A 0.3089
533 E A -0.3756
534 A A -0.4583
535 H A -1.0236
536 G A -1.2326
537 T A -1.1446
538 R A -1.4983
539 P A -1.5519
540 D A -2.5142
541 L A 0.0000
542 T A -2.0185
543 D A -2.4886
544 Q A -2.2318
545 P A -1.6255
546 L A 0.0000
547 P A -1.4578
548 D A -2.3451
549 A A -1.5950
550 D A -1.8683
551 H A -1.1724
552 T A -0.6257
553 W A 0.0000
554 Y A 0.0000
555 T A 0.0000
556 D A 0.0000
557 G A -0.4823
558 S A -0.3678
559 S A 0.0000
560 L A 1.1538
561 L A 0.0759
562 Q A -1.7407
563 E A -2.7572
564 G A -2.1963
565 Q A -2.0204
566 R A -1.1651
567 K A -0.9660
568 A A 0.0000
569 G A 0.0000
570 A A 0.0000
571 A A 0.0000
572 V A 0.0000
573 T A 0.0000
574 T A -0.5306
575 E A -1.2550
576 T A -0.8043
577 E A -0.8478
578 V A 1.1905
579 I A 1.3758
580 W A 0.6296
581 A A -0.1929
582 K A -1.6325
583 A A -1.1598
584 L A 0.0000
585 P A -0.8716
586 A A -1.0500
587 G A -0.7807
588 T A -0.4933
589 S A -0.5052
590 A A -0.1531
591 Q A -0.9091
592 R A -0.8347
593 A A 0.0000
594 E A 0.0000
595 L A 0.0000
596 I A 0.1913
597 A A 0.0000
598 L A 0.0000
599 T A -0.5135
600 Q A -0.5081
601 A A 0.0000
602 L A 0.0000
603 K A -1.6457
604 M A -1.0298
605 A A 0.0000
606 E A -2.8739
607 G A -2.4860
608 K A -2.7663
609 K A -2.9281
610 L A 0.0000
611 N A 0.0000
612 V A 0.0000
613 Y A 0.0000
614 T A 0.0000
615 N A -0.8296
616 S A -0.9575
617 R A -1.6424
618 Y A -0.4922
619 A A 0.0000
620 F A -0.0666
621 A A 0.3058
622 T A 0.4203
623 A A 0.0000
624 H A 0.3616
625 I A 1.6295
626 H A 0.0000
627 G A -0.1324
628 E A -0.4734
629 I A -0.6052
630 Y A -1.7433
631 R A -3.3732
632 R A -3.3692
633 R A -3.1493
634 G A -1.8829
635 L A -1.2090
636 L A -0.1161
637 T A -1.2854
638 S A -1.6393
639 E A -2.6058
640 G A 0.0000
641 K A -3.3229
642 E A -3.4958
643 I A -2.3986
644 K A -3.0659
645 N A -2.6858
646 K A -2.7238
647 D A -2.7369
648 E A -1.3804
649 I A 0.0000
650 L A -0.9285
651 A A -0.8847
652 L A 0.0000
653 L A 0.0000
654 K A -1.0714
655 A A -0.5208
656 L A 0.0000
657 F A 0.2648
658 L A -0.5673
659 P A 0.0000
660 K A -3.2366
661 R A -3.3056
662 L A 0.0000
663 S A 0.0000
664 I A 0.0000
665 I A 0.0000
666 H A -0.7605
667 C A -0.6927
668 P A -1.5075
669 G A -1.5578
670 H A -2.5367
671 Q A -2.8169
672 K A -3.1494
673 G A -3.0892
674 H A -2.7776
675 S A -1.6500
676 A A -0.9817
677 E A -1.7896
678 A A 0.0000
679 R A -2.5877
680 G A 0.0000
681 N A 0.0000
682 R A -2.9568
683 M A -1.3269
684 A A 0.0000
685 D A -1.8932
686 Q A -2.5207
687 A A 0.0000
688 A A 0.0000
689 R A -2.5375
690 K A -2.3580
691 A A -1.2858
692 A A 0.0000
693 I A 0.3928
694 T A -0.4916
695 E A -1.6323
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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
IR625A -1.0894 -0.0209 View CSV PDB
ID625A -0.8886 -0.0219 View CSV PDB
IK530A -0.3442 -0.032 View CSV PDB
IR530A -0.3193 -0.0312 View CSV PDB
LR531A -0.3613 -0.0164 View CSV PDB
IK81A -0.0406 -0.0223 View CSV PDB
IR81A 0.0308 -0.0227 View CSV PDB
LK131A 0.1266 -0.0156 View CSV PDB
LK531A 0.2899 -0.0249 View CSV PDB
LR131A 0.2652 -0.0163 View CSV PDB
IK579A 0.8306 -0.0146 View CSV PDB
IR579A 1.0148 -0.0162 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018