Project name: 8053e16d722852b

Status: done

Started: 2026-04-03 05:40:58
Settings
Chain sequence(s) A: QTVANVSPEWAAAYVKAQAAVAKLSVTDMVNLATGVQWEKGPCVGNTPAISSIPGFTGLCLQDSPVGVRYADGTSVFPPEINVAATWNRTLMRQRGAAMGAEFKGKGVHVALGPMMNLMRVPAAGRNWEGGGGDPFLSGELAFETITGIQSSGAQACAKHFINNEQEHFRDSSSSNVDDRTEHELYGHPFLRSVQANVASVMCSYNQINGTFSCENEKTLSGLLKGEYGFQGYVMSDWWATHSGAPAVNAGLDMTMPGDETTNSGTTYFGQNLVNAVNSGQVSQARIKDMATRILAAWYLLGQDQNFPAVNFNSWNSGQGQHVNVSGNHASLIRTIGAASQILLKNVNGALPLKKPKTIGIIGNGAGSNPSGPNAFSDRAGDVGVLALGWGSGTANFPYLVAPVDAITARASQDGTTVSSSLSDTDLTGAANTATGKDVAMVFITADSGEGYLTVEGNAGDRNDLQAWHGGDALVQQVASHNKNTIVVINSVGPINMEAWVNHPNVTAIVWSGLPGQEAGNAVTDVLFGAVNPGGKLPFTIGKSISDYSAQIITTGSGIVPIPYNEGLFIDYRHFDQAGIAPRFEFGFGLSYTTFDYSNLVITGSTAGGTRQPPGPGSSLDPWLHDSVVTVSFTLTNNGTVDGTEVPQLYLSPPTSAKSAPQNLKGFDSGFLPAGASTTVSFELSRYSFSVWDVVSQSWQIPAGVTGISVGASSRDLRLKGSITN
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                                          (00:03:56)
[INFO]       Auto_mut: Residue number 695 from chain A and a score of 1.793 (valine) selected for  
                       automated muatation                                                         (00:04:03)
[INFO]       Auto_mut: Residue number 671 from chain A and a score of 1.639 (phenylalanine)        
                       selected for automated muatation                                            (00:04:03)
[INFO]       Auto_mut: Residue number 705 from chain A and a score of 1.531 (valine) selected for  
                       automated muatation                                                         (00:04:03)
[INFO]       Auto_mut: Residue number 601 from chain A and a score of 1.226 (valine) selected for  
                       automated muatation                                                         (00:04:03)
[INFO]       Auto_mut: Residue number 452 from chain A and a score of 1.016 (tyrosine) selected    
                       for automated muatation                                                     (00:04:03)
[INFO]       Auto_mut: Residue number 694 from chain A and a score of 0.972 (valine) selected for  
                       automated muatation                                                         (00:04:03)
[INFO]       Auto_mut: Mutating residue number 695 from chain A (valine) into glutamic acid        (00:04:03)
[INFO]       Auto_mut: Mutating residue number 695 from chain A (valine) into aspartic acid        (00:04:03)
[INFO]       Auto_mut: Mutating residue number 671 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 671 from chain A (phenylalanine) into glutamic acid (00:04:03)
[INFO]       Auto_mut: Mutating residue number 695 from chain A (valine) into arginine             (00:06:05)
[INFO]       Auto_mut: Mutating residue number 695 from chain A (valine) into lysine               (00:06:32)
[INFO]       Auto_mut: Mutating residue number 671 from chain A (phenylalanine) into lysine        (00:06:37)
[INFO]       Auto_mut: Mutating residue number 671 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 671 from chain A (phenylalanine) into aspartic acid (00:08:17)
[INFO]       Auto_mut: Mutating residue number 705 from chain A (valine) into glutamic acid        (00:09:10)
[INFO]       Auto_mut: Mutating residue number 705 from chain A (valine) into aspartic acid        (00:09:19)
[INFO]       Auto_mut: Mutating residue number 671 from chain A (phenylalanine) into arginine      (00:10:26)
[INFO]       Auto_mut: Mutating residue number 705 from chain A (valine) into arginine             (00:11:25)
[INFO]       Auto_mut: Mutating residue number 705 from chain A (valine) into lysine               (00:11:37)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (valine) into glutamic acid        (00:12:43)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (valine) into aspartic acid        (00:13:48)
[INFO]       Auto_mut: Mutating residue number 452 from chain A (tyrosine) into glutamic acid      (00:13:53)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (valine) into lysine               (00:14:48)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (valine) into arginine             (00:15:59)
[INFO]       Auto_mut: Mutating residue number 452 from chain A (tyrosine) into lysine             (00:16:09)
[INFO]       Auto_mut: Mutating residue number 452 from chain A (tyrosine) into aspartic acid      (00:17:08)
[INFO]       Auto_mut: Mutating residue number 694 from chain A (valine) into glutamic acid        (00:18:25)
[INFO]       Auto_mut: Mutating residue number 694 from chain A (valine) into aspartic acid        (00:18:39)
[INFO]       Auto_mut: Mutating residue number 452 from chain A (tyrosine) into arginine           (00:19:23)
[INFO]       Auto_mut: Mutating residue number 694 from chain A (valine) into lysine               (00:20:38)
[INFO]       Auto_mut: Mutating residue number 694 from chain A (valine) into arginine             (00:21:00)
[INFO]       Auto_mut: Effect of mutation residue number 695 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.0634 kcal/mol, Difference in average score from  
                       the base case: -0.0109                                                      (00:23:15)
[INFO]       Auto_mut: Effect of mutation residue number 695 from chain A (valine) into lysine:    
                       Energy difference: -0.5991 kcal/mol, Difference in average score from the   
                       base case: -0.0092                                                          (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 695 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.4785 kcal/mol, Difference in average score from  
                       the base case: -0.0102                                                      (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 695 from chain A (valine) into arginine:  
                       Energy difference: -0.9756 kcal/mol, Difference in average score from the   
                       base case: -0.0099                                                          (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 671 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 1.0950 kcal/mol, Difference in average    
                       score from the base case: -0.0180                                           (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 671 from chain A (phenylalanine) into     
                       lysine: Energy difference: 0.7274 kcal/mol, Difference in average score     
                       from the base case: -0.0137                                                 (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 671 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 1.7320 kcal/mol, Difference in average    
                       score from the base case: -0.0180                                           (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 671 from chain A (phenylalanine) into     
                       arginine: Energy difference: 0.7806 kcal/mol, Difference in average score   
                       from the base case: -0.0183                                                 (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 705 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.3552 kcal/mol, Difference in average score from  
                       the base case: -0.0179                                                      (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 705 from chain A (valine) into lysine:    
                       Energy difference: -0.3021 kcal/mol, Difference in average score from the   
                       base case: -0.0166                                                          (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 705 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.3280 kcal/mol, Difference in average score from 
                       the base case: -0.0178                                                      (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 705 from chain A (valine) into arginine:  
                       Energy difference: -0.5466 kcal/mol, Difference in average score from the   
                       base case: -0.0174                                                          (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.1297 kcal/mol, Difference in average score from  
                       the base case: -0.0147                                                      (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (valine) into lysine:    
                       Energy difference: -0.4629 kcal/mol, Difference in average score from the   
                       base case: -0.0130                                                          (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.2878 kcal/mol, Difference in average score from  
                       the base case: -0.0142                                                      (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (valine) into arginine:  
                       Energy difference: -0.2577 kcal/mol, Difference in average score from the   
                       base case: -0.0140                                                          (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 452 from chain A (tyrosine) into glutamic 
                       acid: Energy difference: 1.9893 kcal/mol, Difference in average score from  
                       the base case: -0.0081                                                      (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 452 from chain A (tyrosine) into lysine:  
                       Energy difference: 1.4471 kcal/mol, Difference in average score from the    
                       base case: -0.0095                                                          (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 452 from chain A (tyrosine) into aspartic 
                       acid: Energy difference: 2.9314 kcal/mol, Difference in average score from  
                       the base case: -0.0092                                                      (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 452 from chain A (tyrosine) into          
                       arginine: Energy difference: 1.4622 kcal/mol, Difference in average score   
                       from the base case: -0.0078                                                 (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 694 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.2526 kcal/mol, Difference in average score from  
                       the base case: -0.0117                                                      (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 694 from chain A (valine) into lysine:    
                       Energy difference: -0.5222 kcal/mol, Difference in average score from the   
                       base case: -0.0076                                                          (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 694 from chain A (valine) into aspartic   
                       acid: Energy difference: 1.1961 kcal/mol, Difference in average score from  
                       the base case: -0.0117                                                      (00:23:16)
[INFO]       Auto_mut: Effect of mutation residue number 694 from chain A (valine) into arginine:  
                       Energy difference: -0.5983 kcal/mol, Difference in average score from the   
                       base case: -0.0088                                                          (00:23:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:23:28)
Show buried residues
Minimal score value
-3.5964
Maximal score value
1.7932
Average score
-0.3912
Total score value
-283.5928
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 Q A -1.2095
2 T A -0.5592
3 V A -0.1730
4 A A -0.2565
5 N A -0.4002
6 V A -0.1154
7 S A -0.7350
8 P A -1.0615
9 E A -1.7608
10 W A 0.0000
11 A A -0.1285
12 A A -0.2074
13 A A 0.0000
14 Y A 0.1605
15 V A 0.9641
16 K A -0.5844
17 A A 0.0000
18 Q A -1.2292
19 A A -0.7255
20 A A -0.8903
21 V A 0.0000
22 A A -1.1386
23 K A -1.7823
24 L A -0.8779
25 S A -0.5353
26 V A -0.6866
27 T A -0.5221
28 D A -0.6810
29 M A 0.0000
30 V A 0.0000
31 N A -0.8173
32 L A 0.0000
33 A A 0.0000
34 T A -0.4095
35 G A 0.0000
36 V A -0.8896
37 Q A -1.7916
38 W A -1.7966
39 E A -2.9567
40 K A -2.7845
41 G A -1.5280
42 P A -1.1590
43 C A 0.0000
44 V A 0.0000
45 G A 0.0000
46 N A -0.6800
47 T A 0.0000
48 P A -0.2171
49 A A -0.2970
50 I A 0.0000
51 S A -0.4450
52 S A -0.7071
53 I A 0.0000
54 P A -0.6739
55 G A -1.1311
56 F A 0.0000
57 T A -0.2640
58 G A 0.0000
59 L A 0.0000
60 C A 0.0000
61 L A 0.0000
62 Q A 0.0000
63 D A 0.0000
64 S A 0.0000
65 P A 0.0000
66 V A 0.0000
67 G A 0.0000
68 V A 0.0000
69 R A 0.0000
70 Y A -0.2136
71 A A 0.0000
72 D A -1.7146
73 G A -1.3082
74 T A 0.0000
75 S A 0.0000
76 V A 0.0000
77 F A 0.0000
78 P A 0.0000
79 P A 0.0000
80 E A 0.0000
81 I A 0.0000
82 N A 0.0000
83 V A 0.0000
84 A A 0.0000
85 A A 0.0000
86 T A 0.0000
87 W A 0.0000
88 N A -0.8267
89 R A -1.0936
90 T A -0.8681
91 L A -0.6986
92 M A 0.0000
93 R A -1.5595
94 Q A -1.4397
95 R A 0.0000
96 G A 0.0000
97 A A -0.6470
98 A A 0.0000
99 M A 0.0000
100 G A 0.0000
101 A A -0.2723
102 E A 0.0000
103 F A 0.0000
104 K A -0.4876
105 G A -0.2839
106 K A 0.0000
107 G A 0.0000
108 V A 0.0000
109 H A 0.0000
110 V A 0.0000
111 A A 0.0000
112 L A 0.0000
113 G A 0.0000
114 P A 0.0000
115 M A 0.0000
116 M A 0.0000
117 N A 0.0000
118 L A 0.0000
119 M A 0.0000
120 R A 0.0000
121 V A 0.0000
122 P A 0.0000
123 A A 0.0000
124 A A 0.0000
125 G A 0.0000
126 R A 0.0000
127 N A 0.0000
128 W A 0.0000
129 E A 0.0000
130 G A 0.0000
131 G A 0.0000
132 G A 0.0000
133 G A 0.0000
134 D A 0.0000
135 P A 0.0000
136 F A 0.1179
137 L A 0.0000
138 S A 0.0000
139 G A 0.0000
140 E A 0.0000
141 L A 0.0000
142 A A 0.0000
143 F A -0.0316
144 E A 0.0000
145 T A 0.0000
146 I A 0.0000
147 T A -0.4147
148 G A 0.0000
149 I A 0.0000
150 Q A 0.0000
151 S A -0.3274
152 S A -0.2672
153 G A -0.1168
154 A A 0.0000
155 Q A 0.0000
156 A A 0.0000
157 C A 0.0000
158 A A 0.0000
159 K A 0.0000
160 H A 0.0000
161 F A 0.0000
162 I A 0.0000
163 N A 0.0000
164 N A 0.0000
165 E A 0.0000
166 Q A 0.0000
167 E A 0.0000
168 H A -0.1676
169 F A -0.3442
170 R A -0.8507
171 D A -1.5606
172 S A -0.6566
173 S A 0.0000
174 S A 0.0000
175 S A 0.0000
176 N A -1.8005
177 V A 0.0000
178 D A -2.1357
179 D A -1.1822
180 R A -0.8424
181 T A 0.0000
182 E A 0.0000
183 H A 0.0000
184 E A -0.2691
185 L A 0.0000
186 Y A 0.0000
187 G A 0.0000
188 H A 0.0000
189 P A 0.0000
190 F A 0.0000
191 L A 0.0000
192 R A -0.2461
193 S A 0.0000
194 V A 0.0000
195 Q A -0.3559
196 A A 0.0000
197 N A -0.5327
198 V A 0.0000
199 A A 0.0000
200 S A 0.0000
201 V A 0.0000
202 M A 0.0000
203 C A 0.0000
204 S A 0.0000
205 Y A -0.4894
206 N A 0.0000
207 Q A 0.0000
208 I A 0.0000
209 N A -2.0867
210 G A -1.0222
211 T A -0.9550
212 F A -0.6642
213 S A 0.0000
214 C A 0.0000
215 E A -1.2979
216 N A 0.0000
217 E A -2.8923
218 K A -2.5461
219 T A 0.0000
220 L A 0.0000
221 S A -1.5595
222 G A -1.5056
223 L A 0.0000
224 L A 0.0000
225 K A 0.0000
226 G A -0.7068
227 E A -0.5182
228 Y A 0.0000
229 G A 0.0000
230 F A 0.0000
231 Q A 0.0000
232 G A 0.0000
233 Y A 0.0000
234 V A 0.0000
235 M A 0.0000
236 S A 0.0000
237 D A 0.0000
238 W A 0.0000
239 W A -0.1084
240 A A 0.0000
241 T A 0.0000
242 H A -0.5234
243 S A -0.3790
244 G A -0.7354
245 A A -1.1274
246 P A -1.2410
247 A A 0.0000
248 V A 0.0000
249 N A -1.9456
250 A A 0.0000
251 G A 0.0000
252 L A 0.0000
253 D A 0.0000
254 M A 0.0000
255 T A 0.0000
256 M A 0.0000
257 P A 0.0000
258 G A 0.0000
259 D A 0.0000
260 E A -0.8661
261 T A -0.7653
262 T A -1.1519
263 N A -2.0764
264 S A -1.1933
265 G A -1.1469
266 T A -0.9760
267 T A -0.7295
268 Y A -0.4891
269 F A 0.0000
270 G A -1.2973
271 Q A -2.1083
272 N A -2.2579
273 L A 0.0000
274 V A 0.0000
275 N A -2.5079
276 A A 0.0000
277 V A -1.8431
278 N A -2.2481
279 S A -1.6663
280 G A -1.8142
281 Q A -2.1553
282 V A 0.0000
283 S A -1.5467
284 Q A -1.5194
285 A A -0.9071
286 R A -1.1933
287 I A 0.0000
288 K A -1.4728
289 D A -1.3130
290 M A 0.0000
291 A A 0.0000
292 T A 0.0000
293 R A 0.0000
294 I A 0.0000
295 L A 0.0000
296 A A 0.0000
297 A A 0.0000
298 W A 0.0000
299 Y A -0.2868
300 L A -0.3239
301 L A -0.2181
302 G A -0.6879
303 Q A 0.0000
304 D A -1.6202
305 Q A -2.1541
306 N A -1.9712
307 F A -1.0155
308 P A -0.4385
309 A A 0.0368
310 V A 0.2615
311 N A -0.5713
312 F A 0.0000
313 N A -1.5311
314 S A -0.9085
315 W A -1.2465
316 N A -1.9800
317 S A -1.8636
318 G A -1.8744
319 Q A -2.3005
320 G A -1.9378
321 Q A -1.9952
322 H A -1.9316
323 V A -0.7297
324 N A -1.5008
325 V A -0.8722
326 S A -0.9669
327 G A -1.3305
328 N A -1.5610
329 H A -1.0618
330 A A -0.7590
331 S A -0.7978
332 L A -0.5587
333 I A 0.0000
334 R A -0.7464
335 T A -0.2796
336 I A 0.0000
337 G A 0.0000
338 A A 0.0000
339 A A -0.0345
340 S A 0.0000
341 Q A 0.0000
342 I A 0.0000
343 L A 0.0000
344 L A 0.0000
345 K A -0.4433
346 N A -0.4202
347 V A -0.3360
348 N A -1.2524
349 G A -0.9465
350 A A -0.7858
351 L A 0.0000
352 P A -0.6939
353 L A 0.0000
354 K A -2.8685
355 K A -3.5964
356 P A -2.5737
357 K A -2.8147
358 T A -1.4997
359 I A 0.0000
360 G A 0.0000
361 I A 0.0000
362 I A 0.0000
363 G A 0.0000
364 N A 0.2857
365 G A 0.0000
366 A A 0.0000
367 G A 0.0000
368 S A -0.2571
369 N A -0.1335
370 P A -0.3535
371 S A -0.3591
372 G A -0.2770
373 P A -0.1963
374 N A -0.6057
375 A A -0.1973
376 F A 0.1739
377 S A -0.2334
378 D A -0.2887
379 R A -0.1903
380 A A -0.1355
381 G A -0.0100
382 D A 0.0000
383 V A 0.9319
384 G A 0.0000
385 V A 0.0000
386 L A 0.0000
387 A A 0.0000
388 L A 0.0000
389 G A 0.0000
390 W A 0.0000
391 G A 0.0000
392 S A 0.0207
393 G A 0.0000
394 T A 0.0000
395 A A 0.0000
396 N A -0.7026
397 F A 0.0000
398 P A -0.2646
399 Y A 0.5906
400 L A 0.4618
401 V A 0.1336
402 A A 0.0000
403 P A 0.0000
404 V A -0.5713
405 D A -1.7345
406 A A 0.0000
407 I A 0.0000
408 T A -0.8517
409 A A -1.0567
410 R A -1.3704
411 A A 0.0000
412 S A -1.6226
413 Q A -2.3729
414 D A -3.1597
415 G A -2.1832
416 T A 0.0000
417 T A -0.7616
418 V A -0.1204
419 S A -0.1597
420 S A -0.0601
421 S A -0.1068
422 L A 0.4294
423 S A -0.0039
424 D A 0.0000
425 T A -0.5300
426 D A -0.7696
427 L A -0.5472
428 T A -0.6374
429 G A -0.7070
430 A A 0.0000
431 A A 0.0000
432 N A -1.5196
433 T A -0.8673
434 A A 0.0000
435 T A -1.3596
436 G A -1.3266
437 K A -1.6685
438 D A -1.8854
439 V A 0.0000
440 A A 0.0000
441 M A 0.0000
442 V A 0.0000
443 F A 0.0000
444 I A 0.0000
445 T A 0.0000
446 A A 0.0000
447 D A 0.0000
448 S A 0.0000
449 G A 0.0000
450 E A 0.0000
451 G A 0.3644
452 Y A 1.0159
453 L A 0.5858
454 T A -0.3054
455 V A 0.0000
456 E A -2.2328
457 G A -1.5422
458 N A 0.0000
459 A A -0.4141
460 G A 0.0000
461 D A 0.0000
462 R A 0.0000
463 N A -2.0226
464 D A -1.5873
465 L A 0.0000
466 Q A -1.7730
467 A A 0.0000
468 W A 0.0000
469 H A -0.7464
470 G A -0.6835
471 G A 0.0000
472 D A 0.0000
473 A A -0.3792
474 L A 0.0000
475 V A 0.0000
476 Q A -0.9259
477 Q A -0.7459
478 V A 0.0000
479 A A 0.0000
480 S A -1.1943
481 H A -1.6461
482 N A 0.0000
483 K A -2.3410
484 N A -1.3399
485 T A 0.0000
486 I A 0.0000
487 V A 0.0000
488 V A 0.0000
489 I A 0.0000
490 N A 0.0000
491 S A 0.0000
492 V A 0.0000
493 G A 0.0000
494 P A 0.0000
495 I A 0.0000
496 N A -1.1461
497 M A 0.0000
498 E A -1.4919
499 A A -0.9393
500 W A 0.0000
501 V A 0.0000
502 N A -1.6473
503 H A -1.4160
504 P A -1.0439
505 N A -1.4088
506 V A 0.0000
507 T A 0.0000
508 A A 0.0000
509 I A 0.0000
510 V A 0.0000
511 W A 0.0000
512 S A 0.0000
513 G A 0.0000
514 L A 0.0000
515 P A 0.0000
516 G A 0.0000
517 Q A 0.0000
518 E A 0.0000
519 A A 0.0000
520 G A 0.0000
521 N A -0.5565
522 A A 0.0000
523 V A 0.0000
524 T A 0.0000
525 D A 0.0000
526 V A 0.0000
527 L A 0.0000
528 F A -0.4838
529 G A -0.0736
530 A A 0.2571
531 V A 0.3750
532 N A 0.1352
533 P A 0.0000
534 G A 0.3512
535 G A 0.0000
536 K A 0.0000
537 L A 0.0000
538 P A 0.0000
539 F A 0.0000
540 T A 0.0000
541 I A 0.0000
542 G A 0.0000
543 K A -1.0520
544 S A -0.6872
545 I A -0.1593
546 S A -0.2783
547 D A -0.2596
548 Y A 0.0000
549 S A -0.4612
550 A A 0.0000
551 Q A -0.4925
552 I A -0.2041
553 I A 0.2690
554 T A -0.1094
555 T A -0.1211
556 G A -0.3668
557 S A -0.3664
558 G A -0.1694
559 I A 0.2553
560 V A 0.0000
561 P A -0.4576
562 I A 0.0000
563 P A -1.1152
564 Y A 0.0000
565 N A -1.7063
566 E A -0.8449
567 G A -0.9489
568 L A 0.0000
569 F A -0.3568
570 I A 0.0000
571 D A 0.0000
572 Y A 0.0000
573 R A 0.0000
574 H A -0.5805
575 F A 0.0000
576 D A -0.9924
577 Q A -1.2557
578 A A -0.6592
579 G A -0.6535
580 I A -0.2183
581 A A -0.2644
582 P A -0.5529
583 R A -0.7564
584 F A 0.0000
585 E A -0.5422
586 F A 0.0000
587 G A 0.0000
588 F A 0.0845
589 G A 0.2758
590 L A 0.4413
591 S A 0.1410
592 Y A 0.1550
593 T A 0.0000
594 T A -0.6416
595 F A 0.0000
596 D A -1.9038
597 Y A 0.0000
598 S A -0.9448
599 N A -0.7494
600 L A 0.0275
601 V A 1.2261
602 I A 0.9192
603 T A 0.1229
604 G A -0.5573
605 S A -0.3724
606 T A 0.0000
607 A A -0.3802
608 G A -0.7174
609 G A -1.0118
610 T A -0.7350
611 R A -0.9466
612 Q A -0.7694
613 P A -0.6962
614 P A -0.8643
615 G A -0.7930
616 P A -0.5710
617 G A 0.0000
618 S A -0.4784
619 S A 0.0000
620 L A -0.1319
621 D A 0.0000
622 P A -1.0857
623 W A -0.9015
624 L A 0.0000
625 H A -1.0780
626 D A -2.2109
627 S A -1.5902
628 V A -0.9337
629 V A 0.0000
630 T A -0.5155
631 V A 0.0000
632 S A 0.0848
633 F A 0.0000
634 T A -0.5396
635 L A 0.0000
636 T A -1.1207
637 N A 0.0000
638 N A -1.8150
639 G A -0.8858
640 T A -0.1791
641 V A 0.2203
642 D A -0.3666
643 G A 0.0000
644 T A 0.4926
645 E A 0.0000
646 V A 0.0000
647 P A 0.0000
648 Q A 0.0000
649 L A 0.0000
650 Y A 0.0000
651 L A 0.0000
652 S A -0.0313
653 P A -0.1481
654 P A -0.0317
655 T A -0.5452
656 S A -0.8183
657 A A 0.0000
658 K A -1.8110
659 S A -1.0697
660 A A 0.0000
661 P A -0.7883
662 Q A -0.5898
663 N A 0.0000
664 L A 0.0000
665 K A -0.4300
666 G A 0.0000
667 F A 0.0000
668 D A -1.4258
669 S A -0.3922
670 G A 0.4550
671 F A 1.6394
672 L A 0.0000
673 P A -0.2434
674 A A -0.4570
675 G A -0.9665
676 A A -0.5183
677 S A -0.7106
678 T A 0.0099
679 T A -0.3126
680 V A 0.0000
681 S A -0.5411
682 F A 0.0000
683 E A -2.1877
684 L A 0.0000
685 S A -1.1146
686 R A 0.0000
687 Y A -0.1872
688 S A -0.1638
689 F A 0.0000
690 S A -0.0626
691 V A -0.1884
692 W A 0.0000
693 D A 0.1504
694 V A 0.9719
695 V A 1.7932
696 S A 0.3402
697 Q A -0.4279
698 S A 0.0000
699 W A 0.0000
700 Q A -0.4641
701 I A 0.0092
702 P A -0.1279
703 A A 0.1610
704 G A 0.5913
705 V A 1.5307
706 T A 0.0000
707 G A -0.1807
708 I A 0.0000
709 S A 0.0000
710 V A 0.0000
711 G A 0.0000
712 A A -0.5519
713 S A 0.0000
714 S A 0.0000
715 R A -1.3738
716 D A -1.3258
717 L A -1.2431
718 R A -1.8700
719 L A -1.2607
720 K A -1.7626
721 G A -0.6503
722 S A -0.1139
723 I A 0.4299
724 T A 0.4771
725 N A 0.0916
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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
VR705A -0.5466 -0.0174 View CSV PDB
VD705A -0.328 -0.0178 View CSV PDB
VR695A -0.9756 -0.0099 View CSV PDB
VK601A -0.4629 -0.013 View CSV PDB
VR601A -0.2577 -0.014 View CSV PDB
VK695A -0.5991 -0.0092 View CSV PDB
VR694A -0.5983 -0.0088 View CSV PDB
VK694A -0.5222 -0.0076 View CSV PDB
FR671A 0.7806 -0.0183 View CSV PDB
FK671A 0.7274 -0.0137 View CSV PDB
YK452A 1.4471 -0.0095 View CSV PDB
YR452A 1.4622 -0.0078 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018