Project name: ccbcc7b94eccfe7

Status: done

Started: 2026-04-03 08:09:10
Settings
Chain sequence(s) A: VTKVTARNNKITPVELLNQKFGNKINLGNFADAVFTDAAFKNVAGIANLPMKAPVMQVLMENCIVSKYLKQFVPDRSVCFVEEGQKFYIVLEDGQKIEVPEDVNKALKATVSDVKHWAGYLTEDGEHVIDLLKPAPGPHFYVNLLIGNRLGFKRTLQTTPKSVVDRFGRGSFRSHAATQVLATRFDMRQEENGFPANRQFYLYEDGKQIFYSALIDDNIVEATCKHSCNRTVIKYKTACNLEITRTIFLVPHKKGFPLATELQRIEIKNASDKARNLSITYTGMFGTGAVHHAIFFEDVTYTNVIMQSAALYNDKGEFIGITPDYYPEEFKQDTRFVTMIVRNGDEKSFPQSFCTDYNDFVGTGTLEHPAGGCNLNNKLNRKGPGFFALGAPFTVEPGKTVIIDTFTGLSSSKDNENYSDAVMLRELDNLLRYFEKSESVEETLNEIINFHENYGKYFQFNTGNKLFDSGFNRNLAFQVLYQTFMSRSFGQTQKGYREIGFREIQDLFASMYYFINIGYQDFVKELLFEWTANVYKMGYANHNFYWVGKQPGLYSDDSLWLLQAYYRYIIYTKDTSVLNEEVPVADGNNEKRAVRETLKAIIQYSACISVGDHGLPLLDLADWNDCLKIDSNSIDGATKEKLYYEQLKKTNGKYGDRFMSDYSESVMNAFLLKLAIDHLAEIATLDNDTQLAQQMSELSKEVTDRIQKHAWKENFFARVLINRYKDGSYTYLGAKGDKLSADPNIDGVYFLNSFAWSVLSDVATDEQIAIMVDVIKKHLLTPYGLRLVTPADLNKIANDTATGHYFFGDRENGAVFKHASMMAVAALIKAAKKVKDNELAKEMARIAYFMIDLVLPYKNLENPFQVAGNPRICTQYINTDTGENIGPLLSGTATWLNLNLISLAGIEYTRDGISFNPILREEETQLNFTLKAPKCSYKFSITKPVGFARMESSEYELFVDGQKIDNTVIPMYTDEKEHIVTLKFKHHH
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                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:15)
[INFO]       Auto_mut: Residue number 546 from chain A and a score of 1.727 (valine) selected for  
                       automated muatation                                                         (00:16:27)
[INFO]       Auto_mut: Residue number 298 from chain A and a score of 1.633 (valine) selected for  
                       automated muatation                                                         (00:16:27)
[INFO]       Auto_mut: Residue number 303 from chain A and a score of 1.386 (valine) selected for  
                       automated muatation                                                         (00:16:27)
[INFO]       Auto_mut: Residue number 2 from chain A and a score of 1.373 (valine) selected for    
                       automated muatation                                                         (00:16:27)
[INFO]       Auto_mut: Residue number 805 from chain A and a score of 1.295 (phenylalanine)        
                       selected for automated muatation                                            (00:16:27)
[INFO]       Auto_mut: Residue number 295 from chain A and a score of 1.224 (phenylalanine)        
                       selected for automated muatation                                            (00:16:27)
[INFO]       Auto_mut: Mutating residue number 546 from chain A (valine) into glutamic acid        (00:16:27)
[INFO]       Auto_mut: Mutating residue number 546 from chain A (valine) into aspartic acid        (00:16:27)
[INFO]       Auto_mut: Mutating residue number 298 from chain A (valine) into glutamic acid        (00:16:27)
[INFO]       Auto_mut: Mutating residue number 546 from chain A (valine) into arginine             (00:23:24)
[INFO]       Auto_mut: Mutating residue number 298 from chain A (valine) into lysine               (00:23:25)
[INFO]       Auto_mut: Mutating residue number 546 from chain A (valine) into lysine               (00:23:43)
[INFO]       Auto_mut: Mutating residue number 298 from chain A (valine) into aspartic acid        (00:30:33)
[INFO]       Auto_mut: Mutating residue number 303 from chain A (valine) into glutamic acid        (00:30:38)
[INFO]       Auto_mut: Mutating residue number 303 from chain A (valine) into aspartic acid        (00:30:50)
[INFO]       Auto_mut: Mutating residue number 298 from chain A (valine) into arginine             (00:37:44)
[INFO]       Auto_mut: Mutating residue number 303 from chain A (valine) into lysine               (00:37:44)
[INFO]       Auto_mut: Mutating residue number 303 from chain A (valine) into arginine             (00:37:57)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (valine) into glutamic acid          (00:45:12)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (valine) into aspartic acid          (00:45:22)
[INFO]       Auto_mut: Mutating residue number 805 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 805 from chain A (phenylalanine) into glutamic acid (00:45:53)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (valine) into lysine                 (00:52:09)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (valine) into arginine               (00:52:19)
[INFO]       Auto_mut: Mutating residue number 805 from chain A (phenylalanine) into lysine        (00:53:01)
[INFO]       Auto_mut: Mutating residue number 805 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 805 from chain A (phenylalanine) into aspartic acid (00:59:21)
[INFO]       Auto_mut: Mutating residue number 295 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 295 from chain A (phenylalanine) into glutamic acid (00:59:33)
[INFO]       Auto_mut: Mutating residue number 295 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 295 from chain A (phenylalanine) into aspartic acid (01:00:25)
[INFO]       Auto_mut: Mutating residue number 295 from chain A (phenylalanine) into lysine        (01:06:36)
[INFO]       Auto_mut: Mutating residue number 805 from chain A (phenylalanine) into arginine      (01:06:41)
[INFO]       Auto_mut: Mutating residue number 295 from chain A (phenylalanine) into arginine      (01:07:26)
[INFO]       Auto_mut: Effect of mutation residue number 546 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.2726 kcal/mol, Difference in average score from 
                       the base case: -0.0145                                                      (01:14:52)
[INFO]       Auto_mut: Effect of mutation residue number 546 from chain A (valine) into lysine:    
                       Energy difference: -0.8904 kcal/mol, Difference in average score from the   
                       base case: -0.0167                                                          (01:14:52)
[INFO]       Auto_mut: Effect of mutation residue number 546 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.3497 kcal/mol, Difference in average score from 
                       the base case: -0.0142                                                      (01:14:52)
[INFO]       Auto_mut: Effect of mutation residue number 546 from chain A (valine) into arginine:  
                       Energy difference: -0.7818 kcal/mol, Difference in average score from the   
                       base case: -0.0173                                                          (01:14:52)
[INFO]       Auto_mut: Effect of mutation residue number 298 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.2287 kcal/mol, Difference in average score from 
                       the base case: -0.0199                                                      (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 298 from chain A (valine) into lysine:    
                       Energy difference: -1.1277 kcal/mol, Difference in average score from the   
                       base case: -0.0176                                                          (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 298 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.2093 kcal/mol, Difference in average score from 
                       the base case: -0.0199                                                      (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 298 from chain A (valine) into arginine:  
                       Energy difference: -0.9726 kcal/mol, Difference in average score from the   
                       base case: -0.0190                                                          (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 303 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.0516 kcal/mol, Difference in average score from 
                       the base case: -0.0175                                                      (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 303 from chain A (valine) into lysine:    
                       Energy difference: -0.4904 kcal/mol, Difference in average score from the   
                       base case: -0.0179                                                          (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 303 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.0965 kcal/mol, Difference in average score from  
                       the base case: -0.0167                                                      (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 303 from chain A (valine) into arginine:  
                       Energy difference: -0.3629 kcal/mol, Difference in average score from the   
                       base case: -0.0188                                                          (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (valine) into glutamic     
                       acid: Energy difference: -0.1089 kcal/mol, Difference in average score from 
                       the base case: -0.0118                                                      (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (valine) into lysine:      
                       Energy difference: -0.1028 kcal/mol, Difference in average score from the   
                       base case: -0.0117                                                          (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (valine) into aspartic     
                       acid: Energy difference: -0.0935 kcal/mol, Difference in average score from 
                       the base case: -0.0121                                                      (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (valine) into arginine:    
                       Energy difference: -0.0054 kcal/mol, Difference in average score from the   
                       base case: -0.0119                                                          (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 805 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: -0.0988 kcal/mol, Difference in average   
                       score from the base case: -0.0165                                           (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 805 from chain A (phenylalanine) into     
                       lysine: Energy difference: 0.2559 kcal/mol, Difference in average score     
                       from the base case: -0.0150                                                 (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 805 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: -0.2278 kcal/mol, Difference in average   
                       score from the base case: -0.0169                                           (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 805 from chain A (phenylalanine) into     
                       arginine: Energy difference: -0.2324 kcal/mol, Difference in average score  
                       from the base case: -0.0137                                                 (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 295 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 0.8855 kcal/mol, Difference in average    
                       score from the base case: -0.0155                                           (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 295 from chain A (phenylalanine) into     
                       lysine: Energy difference: 0.4589 kcal/mol, Difference in average score     
                       from the base case: -0.0123                                                 (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 295 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 1.1276 kcal/mol, Difference in average    
                       score from the base case: -0.0148                                           (01:14:53)
[INFO]       Auto_mut: Effect of mutation residue number 295 from chain A (phenylalanine) into     
                       arginine: Energy difference: 0.6779 kcal/mol, Difference in average score   
                       from the base case: -0.0140                                                 (01:14:53)
[INFO]       Main:     Simulation completed successfully.                                          (01:15:05)
Show buried residues

Minimal score value
-4.0809
Maximal score value
1.7273
Average score
-0.8375
Total score value
-825.7538

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
2 V A 1.3733
3 T A 0.3493
4 K A -0.6386
5 V A 0.2156
6 T A -0.8812
7 A A -1.4082
8 R A -2.3969
9 N A -2.4658
10 N A -1.5669
11 K A -2.4360
12 I A -0.5431
13 T A -0.1183
14 P A -0.1886
15 V A -0.2698
16 E A -1.9946
17 L A -1.1707
18 L A 0.0000
19 N A -2.5061
20 Q A -2.5692
21 K A -2.2835
22 F A 0.0000
23 G A -2.4679
24 N A -2.4189
25 K A -2.3613
26 I A -1.4521
27 N A -2.2443
28 L A 0.0000
29 G A -1.8722
30 N A -1.8939
31 F A -0.9460
32 A A -1.0061
33 D A -0.4959
34 A A 0.0444
35 V A 0.6912
36 F A 0.1548
37 T A -1.1703
38 D A -1.6993
39 A A -0.6116
40 A A -0.4211
41 F A 0.0727
42 K A -1.8226
43 N A -1.4298
44 V A 0.0000
45 A A 0.0000
46 G A 0.0000
47 I A 0.0000
48 A A 0.0000
49 N A -2.2799
50 L A 0.0000
51 P A -1.5714
52 M A 0.0000
53 K A -1.4809
54 A A 0.0000
55 P A -0.4934
56 V A 0.0000
57 M A 0.0000
58 Q A -1.2416
59 V A -0.7258
60 L A 0.0000
61 M A -0.7496
62 E A -1.6371
63 N A -0.7984
64 C A 0.0806
65 I A -0.2462
66 V A 0.0000
67 S A -1.2527
68 K A -2.0150
69 Y A -1.4374
70 L A 0.0000
71 K A -2.8479
72 Q A -2.5105
73 F A -1.6953
74 V A -1.7829
75 P A -2.1911
76 D A -2.9545
77 R A -2.3625
78 S A 0.0000
79 V A 0.0000
80 C A 0.0000
81 F A 0.0000
82 V A 0.0000
83 E A -2.8719
84 E A -2.6814
85 G A -2.1325
86 Q A -2.5613
87 K A -2.8160
88 F A 0.0000
89 Y A -1.3795
90 I A 0.0000
91 V A 0.0000
92 L A 0.0000
93 E A -2.3407
94 D A -3.0285
95 G A -2.4076
96 Q A -2.3506
97 K A -2.0031
98 I A -0.9665
99 E A -1.9623
100 V A 0.0000
101 P A -2.1068
102 E A -3.4767
103 D A -3.1764
104 V A 0.0000
105 N A -3.1052
106 K A -3.2639
107 A A -1.7082
108 L A 0.0000
109 K A -2.3794
110 A A -1.1319
111 T A -0.7021
112 V A -0.8590
113 S A -1.4874
114 D A -2.7663
115 V A 0.0000
116 K A -3.0574
117 H A -2.4227
118 W A 0.0000
119 A A 0.0000
120 G A 0.0000
121 Y A 0.1195
122 L A -0.2075
123 T A -1.3179
124 E A -2.9220
125 D A -2.6867
126 G A 0.0000
127 E A -0.9021
128 H A 0.0000
129 V A 0.0526
130 I A 0.0000
131 D A -0.5613
132 L A 0.0000
133 L A 0.9256
134 K A 0.0103
135 P A -0.0952
136 A A -0.0440
137 P A -0.2286
138 G A -0.3279
139 P A -0.7902
140 H A 0.0000
141 F A 0.0000
142 Y A 0.0000
143 V A 0.0000
144 N A 0.0000
145 L A 0.0000
146 L A 0.0000
147 I A 0.0000
148 G A 0.0000
149 N A -0.3952
150 R A 0.0000
151 L A 0.0000
152 G A -0.9957
153 F A -1.2006
154 K A -2.2027
155 R A -2.7369
156 T A 0.0000
157 L A 0.0000
158 Q A 0.0000
159 T A 0.0000
160 T A 0.0000
161 P A 0.0000
162 K A 0.0000
163 S A 0.0000
164 V A 0.0000
165 V A 0.0000
166 D A 0.0000
167 R A -0.3625
168 F A -0.0309
169 G A 0.0000
170 R A -0.8792
171 G A 0.0000
172 S A 0.0000
173 F A 0.0000
174 R A 0.0000
175 S A 0.0000
176 H A 0.0000
177 A A 0.0433
178 A A 0.0879
179 T A 0.1423
180 Q A 0.0000
181 V A 0.0000
182 L A 0.0000
183 A A 0.0000
184 T A 0.0000
185 R A -1.1277
186 F A -0.5003
187 D A -1.8874
188 M A -0.7810
189 R A -2.1847
190 Q A -2.2077
191 E A -2.1781
192 E A -2.1130
193 N A 0.0000
194 G A 0.0000
195 F A -0.2312
196 P A -0.4603
197 A A 0.0000
198 N A 0.0000
199 R A 0.0000
200 Q A 0.0000
201 F A 0.0000
202 Y A 0.0000
203 L A 0.0000
204 Y A 0.0000
205 E A -2.3284
206 D A -2.9792
207 G A -2.4590
208 K A -2.5812
209 Q A -1.4394
210 I A -0.7278
211 F A 0.0000
212 Y A 0.0000
213 S A 0.0000
214 A A -0.0287
215 L A 0.0825
216 I A 0.0276
217 D A -1.0501
218 D A -2.0595
219 N A -1.6897
220 I A 0.0000
221 V A 0.0955
222 E A -1.3520
223 A A 0.0000
224 T A -0.9822
225 C A 0.0000
226 K A -0.7418
227 H A 0.0000
228 S A 0.0000
229 C A -0.4947
230 N A 0.0000
231 R A -0.1870
232 T A 0.0000
233 V A -0.3297
234 I A 0.0000
235 K A -2.0422
236 Y A 0.0000
237 K A -1.4675
238 T A 0.0000
239 A A -0.5578
240 C A -0.1582
241 N A -1.1083
242 L A 0.0000
243 E A -1.9156
244 I A 0.0000
245 T A -1.0029
246 R A 0.0000
247 T A -0.2458
248 I A 0.0000
249 F A 0.0000
250 L A 0.0000
251 V A 0.0000
252 P A -0.6105
253 H A -1.0164
254 K A -1.7777
255 K A -2.2309
256 G A -1.9109
257 F A 0.0000
258 P A 0.0000
259 L A 0.0000
260 A A 0.0000
261 T A 0.0000
262 E A 0.0000
263 L A 0.0000
264 Q A 0.0000
265 R A 0.0000
266 I A 0.0000
267 E A -0.8367
268 I A 0.0000
269 K A -2.2211
270 N A 0.0000
271 A A -1.9352
272 S A -2.2338
273 D A -3.1012
274 K A -3.1836
275 A A -2.5381
276 R A -2.0827
277 N A -2.2450
278 L A 0.0000
279 S A -1.1706
280 I A 0.0000
281 T A 0.0000
282 Y A 0.0000
283 T A 0.0000
284 G A 0.0000
285 M A 0.0000
286 F A 0.0000
287 G A 0.0000
288 T A -0.0412
289 G A -0.5249
290 A A 0.0000
291 V A 0.2867
292 H A -0.5157
293 A A 0.0000
294 I A 1.0723
295 F A 1.2238
296 E A -1.0105
297 D A -0.4788
298 V A 1.6325
299 T A 0.8045
300 Y A 0.9589
301 T A 0.0000
302 N A 0.3776
303 V A 1.3858
304 I A 0.0000
305 M A 0.0000
306 Q A -1.6631
307 S A -1.3630
308 A A -0.5780
309 A A 0.2249
310 L A 0.0000
311 Y A 0.0496
312 N A -1.6512
313 D A -3.0170
314 K A -2.9948
315 G A -2.0786
316 E A -1.9777
317 F A -0.5944
318 I A 0.0000
319 G A 0.0000
320 I A 0.0000
321 T A 0.0000
322 P A 0.0000
323 D A -1.4424
324 Y A 0.0000
325 Y A 0.4087
326 P A 0.0000
327 E A -2.7148
328 E A -2.8853
329 F A -1.7824
330 K A -2.4990
331 Q A -2.4235
332 D A -1.5477
333 T A -0.8447
334 R A 0.0000
335 F A 0.0000
336 V A 0.0000
337 T A 0.0000
338 M A 0.0000
339 I A 0.0000
340 V A 0.0000
341 R A 0.0000
342 N A -2.4543
343 G A -2.6102
344 D A -3.6120
345 E A -3.5716
346 K A -3.0555
347 S A -1.5024
348 F A -0.5474
349 P A 0.0000
350 Q A -1.3973
351 S A -1.2260
352 F A -0.8841
353 C A 0.0000
354 T A 0.0000
355 D A -1.5652
356 Y A -0.7198
357 N A -1.7562
358 D A -1.9483
359 F A 0.0000
360 V A -1.0100
361 G A -1.2219
362 T A -0.7530
363 G A -0.8952
364 T A -0.7437
365 L A -0.5947
366 E A -1.2051
367 H A -1.4462
368 P A 0.0000
369 A A -0.9302
370 G A -1.0500
371 G A 0.0000
372 C A -1.2017
373 N A -1.4993
374 L A 0.0000
375 N A -1.8312
376 N A -1.9802
377 K A -2.1925
378 L A -0.9719
379 N A -1.9031
380 R A -2.6586
381 K A -1.8830
382 G A 0.0000
383 P A -0.4312
384 G A -0.6329
385 F A 0.0000
386 F A 0.0000
387 A A 0.0000
388 L A 0.0000
389 G A -0.6148
390 A A 0.0000
391 P A -0.7847
392 F A 0.0000
393 T A -1.2858
394 V A 0.0000
395 E A -3.2516
396 P A -2.9521
397 G A -2.5260
398 K A -2.7923
399 T A -1.9071
400 V A 0.0000
401 I A -0.3477
402 I A 0.0000
403 D A 0.0000
404 T A 0.0000
405 F A 0.0000
406 T A 0.0000
407 G A 0.0000
408 L A 0.0000
409 S A 0.0000
410 S A 0.0000
411 S A -1.9513
412 K A -2.0318
413 D A -1.8550
414 N A -2.1065
415 E A -2.8511
416 N A -2.2660
417 Y A -2.0123
418 S A -1.4494
419 D A -1.6842
420 A A -0.8446
421 V A 0.0000
422 M A 0.0000
423 L A -0.6569
424 R A -2.2566
425 E A 0.0000
426 L A 0.0000
427 D A -2.9326
428 N A -2.2843
429 L A 0.0000
430 L A -1.9494
431 R A -2.7626
432 Y A -1.3561
433 F A 0.0000
434 E A -3.1478
435 K A -3.6980
436 S A -3.0447
437 E A -3.3441
438 S A 0.0000
439 V A 0.0000
440 E A -3.1984
441 E A -3.6207
442 T A -2.5223
443 L A -2.2212
444 N A -3.1491
445 E A -3.4519
446 I A 0.0000
447 I A -2.0322
448 N A -2.8539
449 F A -1.7889
450 H A -2.0879
451 E A -3.2530
452 N A -2.5999
453 Y A 0.0000
454 G A 0.0000
455 K A -2.4135
456 Y A 0.0000
457 F A 0.0000
458 Q A -1.3346
459 F A 0.0000
460 N A -2.1574
461 T A -1.8862
462 G A -1.9934
463 N A -2.5703
464 K A -3.1679
465 L A -1.5626
466 F A -1.1700
467 D A -1.9327
468 S A 0.0000
469 G A -0.8465
470 F A 0.0000
471 N A -1.3274
472 R A -1.6497
473 N A 0.0000
474 L A 0.0000
475 A A 0.0000
476 F A 0.0000
477 Q A 0.0000
478 V A 0.0000
479 L A 0.0000
480 Y A 0.0000
481 Q A 0.0000
482 T A 0.0000
483 F A 0.0000
484 M A 0.0000
485 S A 0.0000
486 R A -0.4784
487 S A -0.4711
488 F A 0.0000
489 G A 0.0000
490 Q A 0.0000
491 T A -0.7144
492 Q A 0.0000
493 K A -0.3109
494 G A -0.1921
495 Y A 0.2987
496 R A -1.0671
497 E A -0.5781
498 I A 0.0000
499 G A -0.6484
500 F A 0.0000
501 R A -0.3995
502 E A -0.4735
503 I A 0.0000
504 Q A 0.0000
505 D A 0.0000
506 L A 0.0000
507 F A 0.0000
508 A A 0.0000
509 S A 0.0000
510 M A 0.0000
511 Y A 0.0000
512 Y A 0.0000
513 F A 0.0000
514 I A 0.0000
515 N A 0.0000
516 I A -0.1815
517 G A -0.4613
518 Y A -0.7989
519 Q A -1.5178
520 D A -2.6394
521 F A 0.0000
522 V A 0.0000
523 K A -2.0686
524 E A -2.8056
525 L A 0.0000
526 L A 0.0000
527 F A -1.1341
528 E A -1.1638
529 W A 0.0000
530 T A 0.0000
531 A A -0.5375
532 N A 0.0000
533 V A 0.0000
534 Y A -0.7783
535 K A -1.8360
536 M A 0.0000
537 G A 0.0000
538 Y A 0.0000
539 A A 0.0000
540 N A 0.0000
541 H A -0.7069
542 N A -0.7696
543 F A 0.0000
544 Y A 0.0000
545 W A 1.1334
546 V A 1.7273
547 G A 0.0658
548 K A -1.0661
549 Q A -1.2112
550 P A -0.8296
551 G A 0.0000
552 L A -0.0240
553 Y A 0.0500
554 S A 0.1481
555 D A 0.0000
556 D A 0.0000
557 S A 0.0000
558 L A 0.0000
559 W A 0.0000
560 L A 0.0000
561 L A 0.0000
562 Q A 0.0000
563 A A 0.0000
564 Y A 0.0000
565 Y A -0.4197
566 R A -0.5079
567 Y A 0.0000
568 I A 0.0000
569 I A 0.0000
570 Y A 0.0000
571 T A -0.6521
572 K A -1.1686
573 D A -0.8169
574 T A -1.0410
575 S A -1.0815
576 V A 0.0000
577 L A 0.0000
578 N A -2.5258
579 E A -2.7219
580 E A -3.4507
581 V A 0.0000
582 P A -2.5907
583 V A 0.0000
584 A A -1.4371
585 D A -2.3761
586 G A -2.5154
587 N A -2.8879
588 N A -3.1504
589 E A -3.7212
590 K A -3.7235
591 R A -2.7802
592 A A -2.4678
593 V A 0.0000
594 R A -1.9378
595 E A -2.4655
596 T A 0.0000
597 L A 0.0000
598 K A -1.7202
599 A A -1.3779
600 I A 0.0000
601 I A 0.0000
602 Q A -1.0903
603 Y A 0.0000
604 S A 0.0000
605 A A 0.0000
606 C A -0.4199
607 I A 0.0000
608 S A 0.0000
609 V A 0.0000
610 G A 0.0000
611 D A -2.2091
612 H A -1.4566
613 G A -0.9723
614 L A 0.0000
615 P A 0.0000
616 L A 0.0000
617 L A 0.0000
618 D A 0.0000
619 L A -0.3846
620 A A 0.0000
621 D A 0.0000
622 W A -0.2204
623 N A 0.0000
624 D A -1.5040
625 C A -1.0155
626 L A 0.0000
627 K A -2.1288
628 I A 0.0000
629 D A 0.0000
630 S A -1.5189
631 N A -1.4155
632 S A -0.6869
633 I A -0.0538
634 D A -0.2101
635 G A 0.0000
636 A A -0.7492
637 T A -0.6375
638 K A 0.0000
639 E A -1.1965
640 K A -1.7933
641 L A -0.7820
642 Y A 0.0000
643 Y A -1.1185
644 E A -2.6101
645 Q A -2.1387
646 L A 0.0000
647 K A -3.5160
648 K A -3.2741
649 T A -2.5021
650 N A -3.0061
651 G A -2.4223
652 K A -2.0209
653 Y A 0.0418
654 G A -0.7904
655 D A -1.5999
656 R A -0.9825
657 F A 0.0000
658 M A -0.0187
659 S A -0.8737
660 D A -2.2533
661 Y A -1.1596
662 S A 0.0000
663 E A 0.0000
664 S A 0.0000
665 V A 0.0000
666 M A 0.0000
667 N A 0.0000
668 A A 0.0000
669 F A 0.0000
670 L A 0.0000
671 L A 0.0000
672 K A 0.0000
673 L A -0.3037
674 A A 0.0000
675 I A 0.0000
676 D A -1.2977
677 H A -0.6820
678 L A 0.0000
679 A A -1.4456
680 E A -1.4312
681 I A 0.0000
682 A A 0.0000
683 T A -1.3889
684 L A -0.9949
685 D A -1.4270
686 N A -1.9559
687 D A -1.9257
688 T A -1.7765
689 Q A -2.2044
690 L A 0.0000
691 A A -2.1287
692 Q A -2.5101
693 Q A -2.3489
694 M A 0.0000
695 S A -2.5609
696 E A -3.2517
697 L A -2.3752
698 S A 0.0000
699 K A -3.5107
700 E A -3.3711
701 V A 0.0000
702 T A -2.7271
703 D A -3.4694
704 R A -2.5490
705 I A 0.0000
706 Q A -2.0567
707 K A -2.5799
708 H A -1.4972
709 A A 0.0000
710 W A -1.1391
711 K A -1.8029
712 E A -2.1912
713 N A -1.5523
714 F A 0.0000
715 F A 0.0000
716 A A 0.0000
717 R A 0.0000
718 V A 0.0000
719 L A 0.0000
720 I A 0.0000
721 N A -1.5872
722 R A -1.6732
723 Y A -1.7122
724 K A -2.8910
725 D A -2.7959
726 G A -1.8356
727 S A -1.5073
728 Y A 0.0000
729 T A -0.7501
730 Y A -0.3710
731 L A 0.0000
732 G A 0.0000
733 A A 0.0000
734 K A -2.6654
735 G A -2.1347
736 D A 0.0000
737 K A -2.6124
738 L A 0.0000
739 S A -1.6934
740 A A -1.2360
741 D A -1.3491
742 P A -1.4054
743 N A -1.9069
744 I A 0.0000
745 D A -2.8325
746 G A 0.0000
747 V A 0.0000
748 Y A 0.0000
749 F A 0.0000
750 L A 0.0000
751 N A 0.0000
752 S A 0.0000
753 F A 0.0000
754 A A 0.0000
755 W A 0.0000
756 S A 0.0000
757 V A 0.0000
758 L A -0.4436
759 S A 0.0000
760 D A -1.8043
761 V A 0.0000
762 A A -0.8831
763 T A -0.9991
764 D A -1.7924
765 E A -1.9288
766 Q A 0.0000
767 I A 0.0000
768 A A -0.9279
769 I A -0.6271
770 M A 0.0000
771 V A 0.0000
772 D A -2.2765
773 V A 0.0000
774 I A 0.0000
775 K A -2.2041
776 K A -2.5759
777 H A -1.3437
778 L A 0.0000
779 L A -0.3757
780 T A -0.2429
781 P A 0.1225
782 Y A 0.2643
783 G A 0.0000
784 L A 0.0000
785 R A -0.1977
786 L A -0.2015
787 V A 0.0079
788 T A 0.0000
789 P A -0.6114
790 A A -0.7190
791 D A -1.6837
792 L A -1.7831
793 N A -2.7669
794 K A -3.0030
795 I A 0.0000
796 A A -2.3953
797 N A -2.8890
798 D A -2.9879
799 T A -2.1151
800 A A -1.1051
801 T A -0.8793
802 G A -0.9219
803 H A -1.1548
804 Y A -0.0845
805 F A 1.2950
806 F A 1.1873
807 G A 0.0000
808 D A -0.8948
809 R A -2.1502
810 E A -2.5696
811 N A -1.4104
812 G A -0.8099
813 A A 0.0000
814 V A 0.0000
815 F A -0.2401
816 K A 0.0000
817 H A -0.0344
818 A A 0.0000
819 S A 0.0000
820 M A 0.0000
821 M A 0.0000
822 A A 0.0000
823 V A 0.0000
824 A A -0.0546
825 A A 0.0000
826 L A 0.0000
827 I A 0.0000
828 K A -0.9831
829 A A 0.0000
830 A A 0.0000
831 K A -1.8158
832 K A -2.8193
833 V A 0.0000
834 K A -3.6525
835 D A -3.9378
836 N A -3.3818
837 E A -3.0301
838 L A -2.3894
839 A A 0.0000
840 K A -2.2722
841 E A -1.8348
842 M A 0.0000
843 A A 0.0000
844 R A -1.9863
845 I A 0.0000
846 A A 0.0000
847 Y A -0.2852
848 F A 0.2464
849 M A 0.0000
850 I A 0.0000
851 D A -0.0581
852 L A 0.3411
853 V A 0.0000
854 L A 0.0000
855 P A -0.0660
856 Y A -0.1519
857 K A -0.9223
858 N A 0.0000
859 L A -1.0108
860 E A -2.2278
861 N A -1.6325
862 P A 0.0000
863 F A -0.6244
864 Q A -0.9866
865 V A -0.5529
866 A A 0.0000
867 G A 0.0000
868 N A 0.0000
869 P A 0.0000
870 R A 0.0000
871 I A 0.0000
872 C A 0.0000
873 T A 0.0000
874 Q A -0.1602
875 Y A 0.0000
876 I A 0.0000
877 N A 0.0000
878 T A -0.4622
879 D A -0.1529
880 T A -0.5827
881 G A 0.0000
882 E A -0.7460
883 N A 0.0000
884 I A 0.1742
885 G A 0.0000
886 P A -0.0203
887 L A 0.0000
888 L A 0.0000
889 S A 0.0000
890 G A 0.0000
891 T A 0.0000
892 A A 0.0000
893 T A 0.0000
894 W A 0.0000
895 L A 0.0000
896 N A 0.0000
897 L A 0.0409
898 N A 0.0000
899 L A 0.0000
900 I A 0.0000
901 S A -0.3526
902 L A 0.0000
903 A A 0.0000
904 G A 0.0000
905 I A 0.0000
906 E A -1.0067
907 Y A -0.8410
908 T A -1.2361
909 R A -1.7391
910 D A -2.0274
911 G A 0.0000
912 I A 0.0000
913 S A -0.8389
914 F A 0.0000
915 N A -0.9124
916 P A 0.0000
917 I A 0.0000
918 L A 0.0000
919 R A -1.5119
920 E A -1.4958
921 E A -1.9473
922 E A -1.5098
923 T A -1.0410
924 Q A -1.7841
925 L A 0.0000
926 N A -1.2119
927 F A 0.0000
928 T A -1.1830
929 L A 0.0000
930 K A -1.6985
931 A A 0.0000
932 P A -1.3784
933 K A -3.1492
934 C A 0.0000
935 S A -2.2838
936 Y A 0.0000
937 K A -1.1167
938 F A 0.0000
939 S A -0.7054
940 I A 0.0000
941 T A -0.9177
942 K A 0.0000
943 P A -0.5061
944 V A 0.5780
945 G A -0.2998
946 F A 0.0000
947 A A 0.0000
948 R A 0.0000
949 M A 0.0000
950 E A -3.1138
951 S A -2.2252
952 S A -1.9615
953 E A -2.9691
954 Y A -1.7321
955 E A -1.5132
956 L A 0.0000
957 F A -1.3439
958 V A 0.0000
959 D A -1.8150
960 G A -1.6347
961 Q A -2.2052
962 K A -2.6489
963 I A -1.6963
964 D A -2.3688
965 N A -2.0072
966 T A -0.8293
967 V A -0.7540
968 I A 0.0000
969 P A -0.3903
970 M A -0.4319
971 Y A -1.1939
972 T A -1.8677
973 D A -2.9718
974 E A -4.0809
975 K A -3.9534
976 E A -3.5332
977 H A 0.0000
978 I A -0.5840
979 V A 0.0000
980 T A -0.7293
981 L A 0.0000
982 K A -1.8378
983 F A 0.0000
984 K A -2.8413
985 H A -2.4662
986 H A -2.5945
987 H A -2.0937
Download PDB file
View in 3Dmol
Play the video

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
VK298A -1.1277 -0.0176 View CSV PDB
VR298A -0.9726 -0.019 View CSV PDB
VK546A -0.8904 -0.0167 View CSV PDB
VR546A -0.7818 -0.0173 View CSV PDB
VK303A -0.4904 -0.0179 View CSV PDB
VR303A -0.3629 -0.0188 View CSV PDB
FD805A -0.2278 -0.0169 View CSV PDB
FR805A -0.2324 -0.0137 View CSV PDB
VE2A -0.1089 -0.0118 View CSV PDB
VD2A -0.0935 -0.0121 View CSV PDB
FK295A 0.4589 -0.0123 View CSV PDB
FR295A 0.6779 -0.014 View CSV PDB
 

Laboratory of Theory of Biopolymers 2018