Project name: progerin

Status: done

Started: 2025-04-12 13:07:25
Settings
Chain sequence(s) A: METPSQRRATRSGAQASSTPLSPTRITRLQEKEDLQELNDRLAVYIDRVRSLETENAGLRLRITESEEVVSREVSGIKAAYEAELGDARKTLDSVAKERARLQLELSKVREEFKELKARNTKKEGDLIAAQARLKDLEALLNSKEAALSTALSEKRTLEGELHDLRGQVAKLEAALGEAKKQLQDEMLRRVDAENRLQTMKEELDFQKNIYSEELRETKRRHETRLVEIDNGKQREFESRLADALQELRAQHEDQVEQYKKELEKTYSAKLDNARQSAERNSNLVGAAHEELQQSRIRIDSLSAQLSQLQKQLAAKEAKLRDLEDSLARERDTSRRLLAEKEREMAEMRARMQQQLDEYQELLDIKLALDMEIHAYRKLLEGEEERLRLSPSPTSQRSRGRASSHSSQTQGGGSVTKKRKLESTESRSSFSQHARTSGRVAVEEVDEEGKFVRLRNKSNEDQSMGNWQIKRQNGDDPLLTYRFPPKFTLKAGQVVTIWAAGAGATHSPPTDLVWKAQNTWGCGNSLRTALINSTGEEVAMRKLVRSVTVVEDDEDEDGDDLLHHHHGSHCSSSGDPAEYNLRSRTVLCGTCGQPADKASASGSGAQSPQNCSIM
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:31)
[INFO]       Auto_mut: Residue number 613 from chain A and a score of 2.594 (isoleucine) selected  
                       for automated muatation                                                     (00:12:36)
[INFO]       Auto_mut: Residue number 614 from chain A and a score of 2.026 (methionine) selected  
                       for automated muatation                                                     (00:12:36)
[INFO]       Auto_mut: Residue number 549 from chain A and a score of 1.737 (valine) selected for  
                       automated muatation                                                         (00:12:36)
[INFO]       Auto_mut: Residue number 46 from chain A and a score of 1.565 (isoleucine) selected   
                       for automated muatation                                                     (00:12:36)
[INFO]       Auto_mut: Residue number 586 from chain A and a score of 1.482 (valine) selected for  
                       automated muatation                                                         (00:12:36)
[INFO]       Auto_mut: Residue number 547 from chain A and a score of 1.417 (valine) selected for  
                       automated muatation                                                         (00:12:36)
[INFO]       Auto_mut: Mutating residue number 613 from chain A (isoleucine) into glutamic acid    (00:12:36)
[INFO]       Auto_mut: Mutating residue number 613 from chain A (isoleucine) into aspartic acid    (00:12:36)
[INFO]       Auto_mut: Mutating residue number 614 from chain A (methionine) into glutamic acid    (00:12:36)
[INFO]       Auto_mut: Mutating residue number 614 from chain A (methionine) into lysine           (00:17:53)
[INFO]       Auto_mut: Mutating residue number 613 from chain A (isoleucine) into arginine         (00:17:57)
[INFO]       Auto_mut: Mutating residue number 613 from chain A (isoleucine) into lysine           (00:17:57)
[INFO]       Auto_mut: Mutating residue number 614 from chain A (methionine) into aspartic acid    (00:23:15)
[INFO]       Auto_mut: Mutating residue number 549 from chain A (valine) into glutamic acid        (00:23:16)
[INFO]       Auto_mut: Mutating residue number 549 from chain A (valine) into aspartic acid        (00:23:17)
[INFO]       Auto_mut: Mutating residue number 614 from chain A (methionine) into arginine         (00:28:34)
[INFO]       Auto_mut: Mutating residue number 549 from chain A (valine) into arginine             (00:28:36)
[INFO]       Auto_mut: Mutating residue number 549 from chain A (valine) into lysine               (00:28:38)
[INFO]       Auto_mut: Mutating residue number 46 from chain A (isoleucine) into glutamic acid     (00:33:52)
[INFO]       Auto_mut: Mutating residue number 46 from chain A (isoleucine) into aspartic acid     (00:34:02)
[INFO]       Auto_mut: Mutating residue number 586 from chain A (valine) into glutamic acid        (00:34:07)
[INFO]       Auto_mut: Mutating residue number 46 from chain A (isoleucine) into lysine            (00:39:17)
[INFO]       Auto_mut: Mutating residue number 46 from chain A (isoleucine) into arginine          (00:39:20)
[INFO]       Auto_mut: Mutating residue number 586 from chain A (valine) into lysine               (00:39:26)
[INFO]       Auto_mut: Mutating residue number 586 from chain A (valine) into aspartic acid        (00:44:46)
[INFO]       Auto_mut: Mutating residue number 547 from chain A (valine) into glutamic acid        (00:45:14)
[INFO]       Auto_mut: Mutating residue number 547 from chain A (valine) into aspartic acid        (00:45:15)
[INFO]       Auto_mut: Mutating residue number 586 from chain A (valine) into arginine             (00:50:02)
[INFO]       Auto_mut: Mutating residue number 547 from chain A (valine) into arginine             (00:50:33)
[INFO]       Auto_mut: Mutating residue number 547 from chain A (valine) into lysine               (00:50:36)
[INFO]       Auto_mut: Effect of mutation residue number 613 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: -0.3858 kcal/mol, Difference in average   
                       score from the base case: -0.0220                                           (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 613 from chain A (isoleucine) into        
                       lysine: Energy difference: 0.0038 kcal/mol, Difference in average score     
                       from the base case: -0.0215                                                 (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 613 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: 0.4272 kcal/mol, Difference in average    
                       score from the base case: -0.0218                                           (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 613 from chain A (isoleucine) into        
                       arginine: Energy difference: -0.1602 kcal/mol, Difference in average score  
                       from the base case: -0.0220                                                 (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 614 from chain A (methionine) into        
                       glutamic acid: Energy difference: 0.2342 kcal/mol, Difference in average    
                       score from the base case: -0.0160                                           (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 614 from chain A (methionine) into        
                       lysine: Energy difference: -0.2598 kcal/mol, Difference in average score    
                       from the base case: -0.0157                                                 (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 614 from chain A (methionine) into        
                       aspartic acid: Energy difference: 0.3559 kcal/mol, Difference in average    
                       score from the base case: -0.0159                                           (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 614 from chain A (methionine) into        
                       arginine: Energy difference: -0.6146 kcal/mol, Difference in average score  
                       from the base case: -0.0161                                                 (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 549 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.5419 kcal/mol, Difference in average score from 
                       the base case: -0.0308                                                      (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 549 from chain A (valine) into lysine:    
                       Energy difference: -0.4303 kcal/mol, Difference in average score from the   
                       base case: -0.0286                                                          (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 549 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.2838 kcal/mol, Difference in average score from 
                       the base case: -0.0283                                                      (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 549 from chain A (valine) into arginine:  
                       Energy difference: -0.8520 kcal/mol, Difference in average score from the   
                       base case: -0.0286                                                          (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 46 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.3368 kcal/mol, Difference in average    
                       score from the base case: -0.0325                                           (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 46 from chain A (isoleucine) into lysine: 
                       Energy difference: -0.0805 kcal/mol, Difference in average score from the   
                       base case: -0.0367                                                          (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 46 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 1.5326 kcal/mol, Difference in average    
                       score from the base case: -0.0341                                           (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 46 from chain A (isoleucine) into         
                       arginine: Energy difference: -0.4938 kcal/mol, Difference in average score  
                       from the base case: -0.0478                                                 (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 586 from chain A (valine) into glutamic   
                       acid: Energy difference: 1.1623 kcal/mol, Difference in average score from  
                       the base case: -0.0256                                                      (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 586 from chain A (valine) into lysine:    
                       Energy difference: -0.5710 kcal/mol, Difference in average score from the   
                       base case: -0.0280                                                          (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 586 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.4252 kcal/mol, Difference in average score from 
                       the base case: -0.0270                                                      (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 586 from chain A (valine) into arginine:  
                       Energy difference: -0.6959 kcal/mol, Difference in average score from the   
                       base case: -0.0289                                                          (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 547 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.0305 kcal/mol, Difference in average score from 
                       the base case: -0.0294                                                      (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 547 from chain A (valine) into lysine:    
                       Energy difference: -0.2040 kcal/mol, Difference in average score from the   
                       base case: -0.0311                                                          (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 547 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.0684 kcal/mol, Difference in average score from  
                       the base case: -0.0317                                                      (00:56:04)
[INFO]       Auto_mut: Effect of mutation residue number 547 from chain A (valine) into arginine:  
                       Energy difference: -0.3036 kcal/mol, Difference in average score from the   
                       base case: -0.0318                                                          (00:56:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:56:14)
Show buried residues
Minimal score value
-5.1627
Maximal score value
2.5942
Average score
-1.7999
Total score value
-1105.1562
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 0.1313
2 E A -1.3873
3 T A -1.0478
4 P A -1.0859
5 S A -1.5973
6 Q A -2.6536
7 R A -3.3949
8 R A -3.0570
9 A A -1.7236
10 T A -1.4116
11 R A -2.0730
12 S A -1.3541
13 G A -1.1863
14 A A -0.8178
15 Q A -1.2771
16 A A -0.6669
17 S A -0.5389
18 S A -0.3895
19 T A -0.0228
20 P A 0.4077
21 L A 1.2364
22 S A 0.0580
23 P A -0.2463
24 T A -0.7318
25 R A -1.6598
26 I A 0.1651
27 T A -1.6214
28 R A -3.3222
29 L A -2.3345
30 Q A -3.4626
31 E A -4.0522
32 K A -4.1604
33 E A -4.8076
34 D A -4.4711
35 L A -2.6876
36 Q A -4.0484
37 E A -4.0398
38 L A -1.6345
39 N A -2.2581
40 D A -2.3122
41 R A -1.0176
42 L A 0.4075
43 A A 0.4257
44 V A 1.1793
45 Y A 1.4100
46 I A 1.5647
47 D A -1.0410
48 R A -1.0697
49 V A -0.2686
50 R A -2.1758
51 S A -1.9172
52 L A -1.3134
53 E A -2.3297
54 T A -2.0350
55 E A -2.1503
56 N A -1.7888
57 A A -1.0902
58 G A -0.8154
59 L A -0.6286
60 R A -1.4069
61 L A -0.5346
62 R A -1.8848
63 I A -0.7447
64 T A -1.3498
65 E A -2.2247
66 S A -1.5179
67 E A -2.1811
68 E A -2.0446
69 V A 0.0847
70 V A 0.3067
71 S A -0.8447
72 R A -1.9223
73 E A -1.3259
74 V A 0.3209
75 S A -0.4309
76 G A -0.6340
77 I A 0.6785
78 K A -1.2398
79 A A -0.7476
80 A A -0.1281
81 Y A -0.4114
82 E A -2.0534
83 A A -1.8751
84 E A -3.0136
85 L A -2.2021
86 G A -2.6041
87 D A -3.6478
88 A A -2.7788
89 R A -3.3237
90 K A -3.4416
91 T A -1.6886
92 L A -0.9291
93 D A -2.9222
94 S A -2.0092
95 V A -1.3097
96 A A -1.9994
97 K A -3.4210
98 E A -3.3375
99 R A -3.5128
100 A A -2.5062
101 R A -2.9335
102 L A -1.7188
103 Q A -1.7570
104 L A -0.7662
105 E A -1.9312
106 L A -1.0098
107 S A -1.6607
108 K A -2.7512
109 V A -1.8508
110 R A -3.1185
111 E A -4.3467
112 E A -3.4577
113 F A -1.9341
114 K A -3.9163
115 E A -3.7027
116 L A -2.7636
117 K A -3.6342
118 A A -3.4454
119 R A -4.2003
120 N A -4.2881
121 T A -3.5867
122 K A -4.2908
123 K A -4.1389
124 E A -3.1589
125 G A -2.5356
126 D A -2.5616
127 L A -0.0761
128 I A 0.9091
129 A A -0.4278
130 A A -0.4631
131 Q A -0.4975
132 A A -1.0521
133 R A -1.4035
134 L A -1.1419
135 K A -2.8089
136 D A -3.1509
137 L A -2.0742
138 E A -2.5225
139 A A -2.0807
140 L A -1.8944
141 L A -1.8422
142 N A -2.3339
143 S A -1.6939
144 K A -2.4707
145 E A -2.3475
146 A A -1.1757
147 A A -0.6015
148 L A -0.1761
149 S A -0.5837
150 T A -0.9142
151 A A -0.9220
152 L A -0.7721
153 S A -1.9002
154 E A -3.1018
155 K A -3.7019
156 R A -3.7993
157 T A -2.8715
158 L A -2.6156
159 E A -3.7437
160 G A -3.4875
161 E A -3.5234
162 L A -2.5947
163 H A -3.1910
164 D A -3.4167
165 L A -2.1858
166 R A -2.6642
167 G A -2.4909
168 Q A -1.7739
169 V A -0.5089
170 A A -1.0860
171 K A -1.4541
172 L A 0.0260
173 E A -1.1242
174 A A -1.0270
175 A A -0.6567
176 L A -0.4055
177 G A -1.8188
178 E A -2.8490
179 A A -2.1437
180 K A -3.0688
181 K A -3.7091
182 Q A -2.8273
183 L A -1.4663
184 Q A -2.3685
185 D A -2.1721
186 E A -2.6336
187 M A -1.0074
188 L A -0.5443
189 R A -2.8790
190 R A -3.1411
191 V A -1.2368
192 D A -3.0993
193 A A -2.8847
194 E A -3.3446
195 N A -3.6965
196 R A -3.5003
197 L A -2.1862
198 Q A -3.2252
199 T A -2.8641
200 M A -2.0561
201 K A -3.1000
202 E A -3.6368
203 E A -2.9739
204 L A -2.1186
205 D A -2.8534
206 F A -0.8892
207 Q A -1.6345
208 K A -2.6592
209 N A -2.1144
210 I A -1.0854
211 Y A -0.7965
212 S A -1.6313
213 E A -3.3912
214 E A -3.4597
215 L A -2.0982
216 R A -3.8679
217 E A -4.2844
218 T A -3.9678
219 K A -4.8614
220 R A -5.1627
221 R A -5.1058
222 H A -4.0379
223 E A -4.0376
224 T A -2.7221
225 R A -2.0690
226 L A 0.3340
227 V A 1.3893
228 E A -0.2752
229 I A 0.1502
230 D A -2.0413
231 N A -2.6509
232 G A -3.2015
233 K A -3.9460
234 Q A -3.5970
235 R A -4.0784
236 E A -3.7782
237 F A -2.0138
238 E A -3.1958
239 S A -2.6708
240 R A -2.9370
241 L A -1.6402
242 A A -1.4908
243 D A -2.9558
244 A A -1.7229
245 L A -1.1705
246 Q A -2.8267
247 E A -3.0119
248 L A -1.6766
249 R A -3.5920
250 A A -3.2243
251 Q A -3.5701
252 H A -4.0466
253 E A -4.4190
254 D A -4.4666
255 Q A -3.8859
256 V A -2.8471
257 E A -3.9710
258 Q A -3.5845
259 Y A -2.2685
260 K A -3.7297
261 K A -4.1990
262 E A -3.7485
263 L A -2.5374
264 E A -3.6834
265 K A -3.3627
266 T A -1.9948
267 Y A -0.8899
268 S A -1.3716
269 A A -1.6585
270 K A -2.2041
271 L A -0.8267
272 D A -2.3439
273 N A -3.0319
274 A A -2.6316
275 R A -3.9411
276 Q A -4.1978
277 S A -3.4017
278 A A -3.4112
279 E A -4.3141
280 R A -4.0314
281 N A -2.9271
282 S A -2.0417
283 N A -2.1182
284 L A -0.4820
285 V A -0.0317
286 G A -1.0610
287 A A -1.1115
288 A A -1.0961
289 H A -2.1788
290 E A -3.4468
291 E A -3.1820
292 L A -2.1626
293 Q A -2.7512
294 Q A -2.8274
295 S A -2.0881
296 R A -2.0856
297 I A -0.3721
298 R A -1.1591
299 I A 0.1240
300 D A -1.0147
301 S A -0.2550
302 L A 0.5946
303 S A 0.3927
304 A A -0.3697
305 Q A -0.3613
306 L A 0.3368
307 S A -0.7126
308 Q A -1.5491
309 L A -0.4594
310 Q A -1.6388
311 K A -2.6798
312 Q A -2.0065
313 L A -0.9308
314 A A -1.5304
315 A A -1.9945
316 K A -2.9909
317 E A -2.8013
318 A A -2.6568
319 K A -3.3528
320 L A -2.6517
321 R A -4.0160
322 D A -3.8246
323 L A -2.1211
324 E A -3.4651
325 D A -3.8616
326 S A -2.8327
327 L A -2.5806
328 A A -3.2164
329 R A -4.3652
330 E A -4.7623
331 R A -4.6837
332 D A -4.3436
333 T A -3.2020
334 S A -2.8349
335 R A -3.7718
336 R A -3.3404
337 L A -1.3006
338 L A -1.2956
339 A A -2.5391
340 E A -3.7124
341 K A -3.5740
342 E A -3.7549
343 R A -4.4861
344 E A -4.2514
345 M A -2.9142
346 A A -3.0961
347 E A -3.6027
348 M A -2.2752
349 R A -3.1665
350 A A -2.6937
351 R A -3.1942
352 M A -2.2929
353 Q A -2.9156
354 Q A -3.1968
355 Q A -2.5575
356 L A -1.2970
357 D A -2.8474
358 E A -2.5338
359 Y A -0.4808
360 Q A -1.6990
361 E A -2.1146
362 L A -0.1814
363 L A 0.0578
364 D A -0.7757
365 I A 1.1116
366 K A -0.5352
367 L A 0.3247
368 A A 0.6154
369 L A 0.6497
370 D A -0.8096
371 M A 0.0903
372 E A -1.0202
373 I A -0.1070
374 H A -1.2103
375 A A -0.7289
376 Y A -0.1302
377 R A -2.0734
378 K A -2.4596
379 L A -0.4296
380 L A -1.4796
381 E A -3.3462
382 G A -2.8383
383 E A -3.6853
384 E A -3.7920
385 E A -4.0939
386 R A -3.5421
387 L A -1.6214
388 R A -2.4385
389 L A -0.9231
390 S A -0.6814
391 P A -1.1528
392 S A -0.3682
393 P A -0.6874
394 T A -0.9422
395 S A -1.4565
396 Q A -2.5363
397 R A -3.1264
398 S A -2.7024
399 R A -3.1786
400 G A -2.5131
401 R A -2.5292
402 A A -1.3083
403 S A -1.0114
404 S A -1.0365
405 H A -1.4291
406 S A -1.1761
407 S A -1.2887
408 Q A -1.7646
409 T A -1.4574
410 Q A -1.8701
411 G A -1.4442
412 G A -1.2588
413 G A -0.4916
414 S A 0.2894
415 V A 1.1892
416 T A -0.4281
417 K A -2.8690
418 K A -3.7747
419 R A -3.7440
420 K A -3.0469
421 L A -0.8854
422 E A -2.1753
423 S A -1.4438
424 T A -1.1812
425 E A -2.4563
426 S A -0.9750
427 R A -1.6778
428 S A -0.8015
429 S A -0.5843
430 F A -0.6828
431 S A -1.1624
432 Q A -2.1123
433 H A -2.2072
434 A A -2.1637
435 R A -2.4014
436 T A -1.8434
437 S A -1.5131
438 G A -1.6791
439 R A -2.5365
440 V A 0.0000
441 A A 0.0000
442 V A 0.0000
443 E A -2.1238
444 E A -2.3393
445 V A 0.0000
446 D A -1.7764
447 E A -2.1977
448 E A -2.3718
449 G A 0.0000
450 K A -1.8107
451 F A -1.0876
452 V A 0.0000
453 R A -1.5126
454 L A 0.0000
455 R A -2.1652
456 N A 0.0000
457 K A -3.3005
458 S A -3.0886
459 N A -3.2668
460 E A -3.7529
461 D A -3.2838
462 Q A -2.0257
463 S A -1.4070
464 M A 0.0000
465 G A -1.5170
466 N A -1.6648
467 W A -1.5454
468 Q A -1.6715
469 I A 0.0000
470 K A -0.8350
471 R A 0.0000
472 Q A -1.1810
473 N A 0.0000
474 G A -1.9582
475 D A -2.7750
476 D A -2.6031
477 P A -1.1373
478 L A -0.0957
479 L A 0.0618
480 T A -0.4209
481 Y A -1.2004
482 R A -2.1561
483 F A 0.0000
484 P A -1.3650
485 P A -1.6618
486 K A -2.0291
487 F A 0.0000
488 T A -1.3647
489 L A 0.0000
490 K A -3.1694
491 A A -3.1516
492 G A -2.3676
493 Q A -1.6617
494 V A -0.9290
495 V A 0.0000
496 T A 0.0000
497 I A 0.0000
498 W A -0.9384
499 A A 0.0000
500 A A -1.7250
501 G A -1.5864
502 A A -1.1027
503 G A -0.9576
504 A A -0.6783
505 T A -0.7725
506 H A -1.5326
507 S A -1.0192
508 P A -0.8843
509 P A -0.8690
510 T A -0.6379
511 D A -0.9371
512 L A 0.0000
513 V A 0.0000
514 W A 0.0000
515 K A -2.1760
516 A A -1.2566
517 Q A -1.5018
518 N A -2.1557
519 T A -1.4067
520 W A 0.0000
521 G A -0.8677
522 C A -0.8710
523 G A -1.5680
524 N A -1.4024
525 S A -1.4937
526 L A 0.0000
527 R A -1.4419
528 T A 0.0000
529 A A 0.0000
530 L A 0.0000
531 I A 0.0000
532 N A -1.6696
533 S A -1.4130
534 T A -1.3009
535 G A -1.9557
536 E A -3.0832
537 E A -3.2070
538 V A 0.0000
539 A A 0.0000
540 M A -1.6052
541 R A -2.0248
542 K A -1.8544
543 L A 0.0000
544 V A -1.2023
545 R A -1.2016
546 S A -0.0139
547 V A 1.4167
548 T A 1.2962
549 V A 1.7370
550 V A 0.7507
551 E A -2.0112
552 D A -3.4834
553 D A -4.2042
554 E A -4.6119
555 D A -4.5876
556 E A -4.0593
557 D A -3.8792
558 G A -2.8963
559 D A -2.6710
560 D A -1.9229
561 L A 0.4407
562 L A 0.6983
563 H A -0.8935
564 H A -1.5871
565 H A -2.1971
566 H A -2.2229
567 G A -2.2206
568 S A -1.8994
569 H A -1.3945
570 C A -0.5861
571 S A -0.8820
572 S A -1.4758
573 S A -1.3409
574 G A -1.7726
575 D A -2.4584
576 P A -1.5442
577 A A -1.5013
578 E A -1.5601
579 Y A -0.0634
580 N A -0.9323
581 L A -0.2631
582 R A -1.9233
583 S A -1.5252
584 R A -1.6624
585 T A -0.1226
586 V A 1.4820
587 L A 1.2228
588 C A 0.8861
589 G A 0.1411
590 T A 0.0713
591 C A 0.2844
592 G A -0.2377
593 Q A -1.0871
594 P A -0.8150
595 A A -1.2135
596 D A -2.7750
597 K A -2.5684
598 A A -1.3060
599 S A -0.8687
600 A A -0.4938
601 S A -0.5050
602 G A -0.7697
603 S A -0.8184
604 G A -0.8716
605 A A -0.9255
606 Q A -1.4378
607 S A -1.1358
608 P A -1.4583
609 Q A -1.8598
610 N A -1.6087
611 C A 0.1842
612 S A 1.1454
613 I A 2.5942
614 M A 2.0256
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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
IR46A -0.4938 -0.0478 View CSV PDB
VR549A -0.852 -0.0286 View CSV PDB
VR586A -0.6959 -0.0289 View CSV PDB
VE549A -0.5419 -0.0308 View CSV PDB
VK586A -0.571 -0.028 View CSV PDB
VR547A -0.3036 -0.0318 View CSV PDB
VK547A -0.204 -0.0311 View CSV PDB
IK46A -0.0805 -0.0367 View CSV PDB
IE613A -0.3858 -0.022 View CSV PDB
MR614A -0.6146 -0.0161 View CSV PDB
IR613A -0.1602 -0.022 View CSV PDB
MK614A -0.2598 -0.0157 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018