Project name: 28-660-TSA1C2

Status: done

Started: 2025-02-12 16:34:09
Settings
Chain sequence(s) A: MAVERNSGDLQLPQEIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDSAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTINSVLSTWVQLDASFSESSIPTAGLVGFLSNTTSSGDTWIDGYRSMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGVLVGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNRPLSVGELKMIKEVED
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations Yes
Downloads Download all the data
Simulation log 
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:13)
[INFO]       Auto_mut: Residue number 575 from chain A and a score of 1.967 (valine) selected for  
                       automated muatation                                                         (00:10:18)
[INFO]       Auto_mut: Residue number 289 from chain A and a score of 1.414 (phenylalanine)        
                       selected for automated muatation                                            (00:10:18)
[INFO]       Auto_mut: Residue number 576 from chain A and a score of 1.208 (leucine) selected for 
                       automated muatation                                                         (00:10:18)
[INFO]       Auto_mut: Residue number 623 from chain A and a score of 0.997 (valine) selected for  
                       automated muatation                                                         (00:10:18)
[INFO]       Auto_mut: Residue number 571 from chain A and a score of 0.991 (tyrosine) selected    
                       for automated muatation                                                     (00:10:18)
[INFO]       Auto_mut: Residue number 545 from chain A and a score of 0.924 (valine) selected for  
                       automated muatation                                                         (00:10:18)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (valine) into glutamic acid        (00:10:18)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (valine) into aspartic acid        (00:10:18)
[INFO]       Auto_mut: Mutating residue number 289 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 289 from chain A (phenylalanine) into glutamic acid (00:10:18)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (valine) into arginine             (00:14:43)
[INFO]       Auto_mut: Mutating residue number 289 from chain A (phenylalanine) into lysine        (00:14:48)
[INFO]       Auto_mut: Mutating residue number 575 from chain A (valine) into lysine               (00:14:49)
[INFO]       Auto_mut: Mutating residue number 289 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 289 from chain A (phenylalanine) into aspartic acid (00:19:13)
[INFO]       Auto_mut: Mutating residue number 576 from chain A (leucine) into glutamic acid       (00:19:17)
[INFO]       Auto_mut: Mutating residue number 576 from chain A (leucine) into aspartic acid       (00:19:25)
[INFO]       Auto_mut: Mutating residue number 576 from chain A (leucine) into lysine              (00:23:40)
[INFO]       Auto_mut: Mutating residue number 289 from chain A (phenylalanine) into arginine      (00:23:43)
[INFO]       Auto_mut: Mutating residue number 576 from chain A (leucine) into arginine            (00:23:45)
[INFO]       Auto_mut: Mutating residue number 623 from chain A (valine) into glutamic acid        (00:28:02)
[INFO]       Auto_mut: Mutating residue number 623 from chain A (valine) into aspartic acid        (00:28:04)
[INFO]       Auto_mut: Mutating residue number 571 from chain A (tyrosine) into glutamic acid      (00:28:07)
[INFO]       Auto_mut: Mutating residue number 623 from chain A (valine) into arginine             (00:32:24)
[INFO]       Auto_mut: Mutating residue number 623 from chain A (valine) into lysine               (00:32:25)
[INFO]       Auto_mut: Mutating residue number 571 from chain A (tyrosine) into lysine             (00:32:32)
[INFO]       Auto_mut: Mutating residue number 571 from chain A (tyrosine) into aspartic acid      (00:36:50)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (valine) into glutamic acid        (00:36:52)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (valine) into aspartic acid        (00:36:56)
[INFO]       Auto_mut: Mutating residue number 571 from chain A (tyrosine) into arginine           (00:41:12)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (valine) into lysine               (00:41:20)
[INFO]       Auto_mut: Mutating residue number 545 from chain A (valine) into arginine             (00:41:23)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.1168 kcal/mol, Difference in average score from 
                       the base case: -0.0066                                                      (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (valine) into lysine:    
                       Energy difference: -0.2218 kcal/mol, Difference in average score from the   
                       base case: -0.0066                                                          (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.0426 kcal/mol, Difference in average score from  
                       the base case: -0.0060                                                      (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 575 from chain A (valine) into arginine:  
                       Energy difference: -1.0071 kcal/mol, Difference in average score from the   
                       base case: -0.0085                                                          (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 289 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 0.1795 kcal/mol, Difference in average    
                       score from the base case: -0.0063                                           (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 289 from chain A (phenylalanine) into     
                       lysine: Energy difference: 0.7269 kcal/mol, Difference in average score     
                       from the base case: -0.0058                                                 (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 289 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 1.1295 kcal/mol, Difference in average    
                       score from the base case: -0.0092                                           (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 289 from chain A (phenylalanine) into     
                       arginine: Energy difference: -0.6426 kcal/mol, Difference in average score  
                       from the base case: -0.0087                                                 (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 576 from chain A (leucine) into glutamic  
                       acid: Energy difference: 1.2149 kcal/mol, Difference in average score from  
                       the base case: 0.0012                                                       (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 576 from chain A (leucine) into lysine:   
                       Energy difference: 0.7389 kcal/mol, Difference in average score from the    
                       base case: -0.0004                                                          (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 576 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.9080 kcal/mol, Difference in average score from  
                       the base case: -0.0024                                                      (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 576 from chain A (leucine) into arginine: 
                       Energy difference: 0.1439 kcal/mol, Difference in average score from the    
                       base case: -0.0029                                                          (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 623 from chain A (valine) into glutamic   
                       acid: Energy difference: -1.5623 kcal/mol, Difference in average score from 
                       the base case: -0.0081                                                      (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 623 from chain A (valine) into lysine:    
                       Energy difference: -0.8936 kcal/mol, Difference in average score from the   
                       base case: -0.0085                                                          (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 623 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.3037 kcal/mol, Difference in average score from  
                       the base case: -0.0081                                                      (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 623 from chain A (valine) into arginine:  
                       Energy difference: -0.9681 kcal/mol, Difference in average score from the   
                       base case: -0.0093                                                          (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 571 from chain A (tyrosine) into glutamic 
                       acid: Energy difference: 4.1732 kcal/mol, Difference in average score from  
                       the base case: 0.0127                                                       (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 571 from chain A (tyrosine) into lysine:  
                       Energy difference: 1.8530 kcal/mol, Difference in average score from the    
                       base case: 0.0112                                                           (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 571 from chain A (tyrosine) into aspartic 
                       acid: Energy difference: 5.0896 kcal/mol, Difference in average score from  
                       the base case: 0.0109                                                       (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 571 from chain A (tyrosine) into          
                       arginine: Energy difference: 1.7395 kcal/mol, Difference in average score   
                       from the base case: 0.0053                                                  (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.2558 kcal/mol, Difference in average score from 
                       the base case: -0.0093                                                      (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (valine) into lysine:    
                       Energy difference: -0.8272 kcal/mol, Difference in average score from the   
                       base case: -0.0062                                                          (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.3009 kcal/mol, Difference in average score from  
                       the base case: -0.0102                                                      (00:45:52)
[INFO]       Auto_mut: Effect of mutation residue number 545 from chain A (valine) into arginine:  
                       Energy difference: -0.9100 kcal/mol, Difference in average score from the   
                       base case: -0.0070                                                          (00:45:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:46:04)
Show buried residues
Minimal score value
-3.8984
Maximal score value
1.9672
Average score
-0.7976
Total score value
-505.6877
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 M A 0.9228
2 A A 0.2569
3 V A 0.3649
4 E A -2.1220
5 R A -2.7996
6 N A -2.8004
7 S A -2.1532
8 G A -1.8049
9 D A -1.9574
10 L A -0.2789
11 Q A -0.8441
12 L A -0.1055
13 P A -0.9328
14 Q A -1.5179
15 E A -1.6014
16 I A 0.0000
17 A A -0.1308
18 M A 0.0000
19 L A 0.0000
20 V A -0.3147
21 P A -1.2079
22 N A -2.1344
23 K A -2.3730
24 T A 0.0000
25 Q A -1.8156
26 V A 0.0000
27 V A -1.3017
28 P A -1.6940
29 K A -1.6221
30 S A -1.3649
31 G A -1.4850
32 G A -1.9687
33 E A -2.5900
34 G A -2.1463
35 K A -2.2311
36 V A -1.2403
37 K A 0.0000
38 D A -1.3380
39 I A 0.0000
40 F A 0.0000
41 A A -0.1271
42 S A -0.0596
43 P A 0.0000
44 A A 0.0000
45 L A 0.0000
46 V A 0.0000
47 R A -0.9111
48 A A 0.0000
49 G A -1.4036
50 G A -1.2905
51 V A 0.0000
52 M A 0.0000
53 I A 0.0000
54 A A 0.0000
55 F A 0.0000
56 V A 0.0000
57 E A 0.0000
58 G A 0.0000
59 R A -0.7312
60 T A -1.1983
61 K A -1.6691
62 N A -1.5510
63 K A -1.8082
64 L A -0.6864
65 F A 0.0000
66 P A -1.2367
67 E A -1.5177
68 V A 0.2248
69 I A 0.4309
70 D A -1.5836
71 L A 0.0000
72 S A 0.0000
73 S A -1.0839
74 S A 0.0000
75 D A 0.0000
76 I A 0.0000
77 V A 0.0000
78 A A 0.0000
79 G A 0.0000
80 Y A 0.0000
81 I A 0.0000
82 K A -1.2344
83 A A -1.0750
84 P A -1.3323
85 E A -2.3279
86 T A -1.2802
87 W A -1.0835
88 Q A -1.3257
89 S A -1.0866
90 L A 0.0000
91 V A -0.3734
92 A A -0.6714
93 E A -0.8360
94 V A 0.0000
95 T A -0.7936
96 K A -1.5321
97 E A -1.7203
98 Y A -0.0915
99 W A -0.5008
100 Q A -0.5903
101 A A 0.0000
102 H A 0.0000
103 T A 0.0000
104 V A 0.0000
105 L A 0.0000
106 E A -1.5650
107 S A -1.1200
108 A A -1.4586
109 N A -2.5860
110 N A -2.4982
111 S A -2.1573
112 N A -2.1508
113 H A -1.9139
114 R A -2.9060
115 V A 0.0000
116 G A 0.0000
117 V A 0.0000
118 A A 0.0000
119 R A -0.7386
120 L A -0.1586
121 P A 0.0000
122 T A 0.0000
123 G A 0.0000
124 I A 0.0000
125 T A -0.8673
126 R A -1.4660
127 G A -1.5186
128 N A -1.9563
129 K A -2.3134
130 V A 0.0000
131 F A 0.0000
132 L A 0.0000
133 L A 0.0000
134 V A 0.0000
135 G A 0.0000
136 S A -0.8561
137 Y A 0.0000
138 E A -1.9847
139 E A -1.9877
140 R A -2.0871
141 R A -1.2157
142 E A -1.0513
143 I A 0.5366
144 D A -1.4867
145 D A -1.3584
146 Y A 0.7238
147 I A 0.5672
148 W A -0.5029
149 K A -1.7491
150 A A -1.7140
151 E A -2.4398
152 A A -1.3116
153 W A -1.2440
154 N A -1.4498
155 I A 0.0000
156 K A -1.3025
157 V A 0.0000
158 I A 0.0000
159 E A -1.7179
160 G A 0.0000
161 E A -2.4689
162 A A 0.0000
163 T A -1.7020
164 Q A -1.7776
165 S A -1.2455
166 T A -0.9953
167 E A -1.6288
168 V A 0.2973
169 Q A -1.1009
170 P A -1.1040
171 T A -0.6719
172 Q A -1.0198
173 P A 0.0000
174 I A 0.0000
175 N A -1.8757
176 W A -1.6493
177 S A -1.8046
178 E A -2.4232
179 P A -1.9728
180 K A -2.6503
181 P A -1.6768
182 L A 0.0000
183 F A -1.4996
184 Q A -2.1714
185 T A -1.5242
186 D A -2.3723
187 S A -2.0229
188 P A -2.1075
189 N A -2.5898
190 N A -2.4474
191 K A -2.3834
192 G A -2.5975
193 D A -3.5175
194 L A -2.7640
195 K A -3.0895
196 E A -2.0536
197 F A 0.0000
198 L A -0.4203
199 G A 0.0000
200 G A 0.0000
201 G A 0.0000
202 G A 0.0000
203 S A 0.1653
204 G A 0.0000
205 I A 0.4543
206 V A 0.3551
207 M A 0.0000
208 G A -1.6194
209 N A -1.7466
210 G A -1.0315
211 T A 0.0000
212 L A 0.0000
213 V A 0.0000
214 F A 0.0000
215 P A 0.0000
216 L A 0.0000
217 T A -0.6053
218 A A 0.0000
219 K A -2.4160
220 D A -3.2775
221 E A -3.6399
222 S A -2.5638
223 N A -3.0739
224 K A -2.0641
225 V A 0.0000
226 F A -0.2918
227 S A 0.0000
228 L A 0.0000
229 I A 0.0000
230 T A 0.0000
231 Y A -0.6368
232 S A 0.0000
233 T A -1.5423
234 D A -1.9518
235 D A -2.4492
236 G A 0.0000
237 Q A -2.7381
238 K A -2.9775
239 W A -1.9616
240 E A -1.8163
241 I A 0.0000
242 P A 0.0000
243 G A -1.6512
244 G A -0.8648
245 V A 0.4181
246 S A 0.0000
247 S A -0.0185
248 V A 0.4652
249 A A -1.0263
250 C A 0.0000
251 R A -2.1149
252 S A -0.9232
253 P A 0.0000
254 R A 0.0000
255 V A 0.0000
256 T A 0.0000
257 E A -0.9622
258 W A -1.5069
259 E A -3.1335
260 E A -3.3569
261 G A -2.4600
262 T A 0.0000
263 L A 0.0000
264 L A 0.0000
265 M A 0.0000
266 V A 0.0000
267 T A 0.0000
268 Y A 0.0000
269 C A 0.0000
270 E A -3.3107
271 D A -3.2564
272 G A 0.0000
273 R A 0.0000
274 K A -0.8858
275 V A 0.0000
276 F A 0.0000
277 E A -0.8406
278 S A 0.0000
279 R A -2.9164
280 D A -1.9522
281 M A -1.1782
282 G A 0.0000
283 K A -2.1721
284 T A -1.3408
285 W A -0.8485
286 T A -0.4081
287 E A -0.3249
288 A A 0.3185
289 F A 1.4141
290 G A 0.4738
291 T A 0.1687
292 L A 0.0000
293 P A 0.0000
294 G A 0.0000
295 V A 0.0000
296 W A 0.0000
297 L A -1.2613
298 K A -2.6029
299 S A -2.4152
300 G A -1.7850
301 P A -1.8200
302 E A -2.1091
303 L A -1.1742
304 P A -1.1589
305 E A -2.0515
306 V A 0.1273
307 S A 0.0000
308 L A 0.0000
309 R A -0.7269
310 V A 0.0000
311 D A 0.0000
312 A A 0.0000
313 L A 0.0000
314 I A 0.3053
315 T A -0.0183
316 A A 0.0000
317 T A -1.3449
318 I A 0.0000
319 E A -2.6302
320 G A -1.8050
321 R A -1.5534
322 K A -1.6346
323 V A 0.0000
324 M A 0.0000
325 L A 0.0000
326 Y A 0.0000
327 T A 0.0000
328 Q A 0.0000
329 K A 0.0000
330 V A 0.0000
331 R A -0.5179
332 H A -0.9709
333 F A -0.5966
334 L A -0.8106
335 E A -1.2977
336 V A -0.2179
337 D A -1.7691
338 E A -1.3110
339 P A -0.7461
340 N A -0.6405
341 A A 0.0000
342 L A 0.0000
343 H A 0.0000
344 L A 0.0000
345 W A 0.0000
346 V A 0.0000
347 T A 0.0000
348 D A 0.0000
349 N A -0.5140
350 N A -0.5621
351 R A 0.0000
352 T A 0.0000
353 F A -0.0413
354 H A -0.2034
355 L A -0.0254
356 G A 0.2352
357 P A 0.2919
358 F A 0.0000
359 S A 0.0000
360 V A 0.5107
361 D A -0.6609
362 S A -1.1351
363 A A -1.3505
364 E A -2.8180
365 N A -2.0555
366 K A -1.5084
367 T A 0.0000
368 F A -0.0556
369 A A 0.0000
370 N A 0.0000
371 T A 0.0000
372 L A 0.0000
373 L A 0.0328
374 Y A -0.5189
375 S A -1.3726
376 D A -2.8553
377 D A -2.8365
378 A A -1.6534
379 L A 0.0000
380 H A 0.0000
381 L A 0.0000
382 L A 0.0000
383 Q A 0.0000
384 A A 0.0000
385 K A -1.1066
386 G A 0.0000
387 D A -2.6439
388 H A -2.6352
389 E A -2.9555
390 S A -2.0507
391 T A 0.0000
392 A A -0.2238
393 V A 0.0000
394 S A -0.3323
395 L A 0.0000
396 A A 0.0000
397 R A -1.1210
398 L A 0.0000
399 T A -1.6756
400 E A -2.5335
401 E A -1.6720
402 L A 0.0000
403 N A -2.1290
404 T A -1.3084
405 I A 0.0000
406 N A -1.5177
407 S A -0.8490
408 V A 0.0000
409 L A 0.0000
410 S A -0.5292
411 T A -0.2406
412 W A 0.0000
413 V A 0.6191
414 Q A -0.5660
415 L A -0.3192
416 D A -0.4068
417 A A -0.7053
418 S A -0.9236
419 F A 0.0000
420 S A -1.3885
421 E A -2.0782
422 S A -1.5118
423 S A -0.9022
424 I A 0.0000
425 P A -0.3629
426 T A -0.1336
427 A A -0.1783
428 G A -0.3650
429 L A 0.0000
430 V A 0.0000
431 G A 0.0000
432 F A 0.0000
433 L A 0.0000
434 S A -1.3301
435 N A -2.0556
436 T A -1.6236
437 T A -0.9305
438 S A -0.9372
439 S A -1.0326
440 G A -1.7702
441 D A -2.0730
442 T A 0.0000
443 W A 0.0000
444 I A -0.5101
445 D A 0.0000
446 G A -0.5083
447 Y A 0.0000
448 R A -0.8160
449 S A -0.3576
450 M A 0.1198
451 N A -0.0937
452 A A 0.0000
453 T A -0.2261
454 V A 0.0000
455 T A -1.4806
456 K A -2.3979
457 A A -1.7580
458 A A -1.4521
459 K A -2.7830
460 V A -1.9356
461 E A -2.7803
462 N A -2.3672
463 G A 0.0000
464 F A 0.0000
465 K A -1.3450
466 F A 0.0000
467 T A -1.0813
468 G A -1.4712
469 P A -1.8533
470 G A -1.6126
471 S A 0.0000
472 R A -1.3259
473 A A 0.0000
474 T A -0.2640
475 W A 0.0000
476 P A -0.1942
477 V A 0.0000
478 N A 0.0000
479 S A -1.4675
480 R A -2.3777
481 W A -1.0986
482 D A -1.1638
483 I A -0.6242
484 K A -0.6860
485 Q A 0.0000
486 Y A 0.0000
487 G A 0.0000
488 F A 0.0000
489 V A 0.0000
490 D A 0.0000
491 Y A -0.5673
492 N A -1.1796
493 F A 0.0000
494 T A 0.0000
495 I A 0.0000
496 V A 0.0000
497 A A 0.0000
498 M A -0.6446
499 A A 0.0000
500 T A -1.9747
501 I A 0.0000
502 H A -1.7587
503 Q A -1.1045
504 V A -0.0375
505 P A 0.0000
506 S A -1.3809
507 E A -2.1583
508 S A -1.0922
509 T A 0.0000
510 P A -0.5611
511 L A 0.0000
512 L A 0.0000
513 G A 0.0000
514 A A 0.0000
515 S A 0.0000
516 L A 0.0000
517 R A -3.4053
518 G A -3.2405
519 N A -3.2013
520 K A -3.7532
521 R A -3.8984
522 T A -2.8561
523 K A -2.0091
524 L A 0.0000
525 I A 0.0000
526 G A 0.0000
527 L A 0.0000
528 S A 0.0000
529 Y A 0.0000
530 G A 0.0000
531 A A -0.6447
532 G A -0.6403
533 G A -0.8546
534 K A -1.1738
535 W A 0.0000
536 E A 0.0000
537 T A 0.0000
538 V A 0.0000
539 Y A -0.9380
540 D A -1.8911
541 G A -1.9972
542 T A -1.1634
543 K A -0.7445
544 T A 0.3143
545 V A 0.9238
546 Q A -0.2523
547 G A -0.6003
548 G A -0.3365
549 T A -1.1657
550 W A 0.0000
551 E A -2.9507
552 P A -2.2765
553 G A -2.6782
554 R A -3.6177
555 E A -3.2768
556 Y A 0.0000
557 Q A 0.0000
558 V A 0.0000
559 A A 0.0000
560 L A 0.0000
561 M A 0.0000
562 L A 0.0000
563 Q A -1.6335
564 D A -2.2983
565 G A 0.0000
566 N A -1.1110
567 K A -1.1753
568 G A 0.0000
569 F A 0.0000
570 V A 0.0000
571 Y A 0.9907
572 V A 0.0000
573 D A -0.2022
574 G A 0.0000
575 V A 1.9672
576 L A 1.2076
577 V A 0.0000
578 G A -0.4604
579 N A -1.2369
580 P A -0.6048
581 A A -0.3254
582 M A 0.3080
583 L A 0.0000
584 P A -1.0538
585 T A -1.4891
586 P A -1.5006
587 E A -2.4542
588 E A -2.4812
589 R A -1.3384
590 W A -0.3680
591 T A -0.8474
592 E A -1.1565
593 F A 0.0000
594 S A -1.4739
595 H A -0.6834
596 F A 0.0000
597 Y A 0.0000
598 F A 0.0000
599 G A 0.0000
600 G A -1.0607
601 D A 0.0000
602 E A -2.4351
603 G A -2.3738
604 D A -2.7728
605 S A 0.0000
606 G A -1.4044
607 S A 0.0000
608 D A 0.0000
609 A A 0.0000
610 T A -0.6883
611 L A 0.0000
612 T A -0.9205
613 D A -0.9862
614 V A 0.0000
615 F A 0.0000
616 L A 0.0000
617 Y A 0.0000
618 N A -0.6307
619 R A -0.9295
620 P A -0.6495
621 L A 0.0000
622 S A -0.0328
623 V A 0.9974
624 G A -0.3356
625 E A -0.5412
626 L A 0.0000
627 K A -1.3829
628 M A -0.8052
629 I A 0.0000
630 K A -2.0004
631 E A -2.4042
632 V A -0.9010
633 E A -2.6406
634 D A -2.4869
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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
VE623A -1.5623 -0.0081 View CSV PDB
VR623A -0.9681 -0.0093 View CSV PDB
VR575A -1.0071 -0.0085 View CSV PDB
FR289A -0.6426 -0.0087 View CSV PDB
VR545A -0.91 -0.007 View CSV PDB
VK545A -0.8272 -0.0062 View CSV PDB
VK575A -0.2218 -0.0066 View CSV PDB
FE289A 0.1795 -0.0063 View CSV PDB
LR576A 0.1439 -0.0029 View CSV PDB
LD576A 1.908 -0.0024 View CSV PDB
YR571A 1.7395 0.0053 View CSV PDB
YK571A 1.853 0.0112 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018