Project name: LAMP1_Aggre

Status: done

Started: 2024-07-08 04:35:40
Settings
Chain sequence(s) A: MAMFMVKNGNGTACIMANFSAAFSVNYDTKSGPKNMTFDLPSDATVVLNRSSCGKENTSDPSLVIAFGRGHTLTLNFTRNATRYSVQLMSFVYNLSDTHLFPNASSKEIKTVESITDIRADIDKKYRCVSGTQVHMNNVTVTLHDATIQAYLSNSSFSRGETRCEQDRPSPTTAPPAPPSPSPSPVPKSPSVDKYNVSGTNGTCLLASMGLQLNLTYERKDNTTVTRLLNINPNKTSASGSCGAHLVTLELHSEGTTVLLFQFGMNASSSRFFLQGIQLNTILPDARDPAFKAANGSLRALQATVGNSYKCNAEEHVRVTKAFGGGGSLEVLFQGPEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
input PDB
Selected Chain(s) A
Distance of aggregation 5 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                                          (00:04:06)
[INFO]       Auto_mut: Residue number 115 from chain A and a score of 2.044 (isoleucine) selected  
                       for automated muatation                                                     (00:04:11)
[INFO]       Auto_mut: Residue number 374 from chain A and a score of 2.011 (isoleucine) selected  
                       for automated muatation                                                     (00:04:11)
[INFO]       Auto_mut: Residue number 323 from chain A and a score of 1.860 (phenylalanine)        
                       selected for automated muatation                                            (00:04:11)
[INFO]       Auto_mut: Residue number 186 from chain A and a score of 1.681 (valine) selected for  
                       automated muatation                                                         (00:04:11)
[INFO]       Auto_mut: Residue number 356 from chain A and a score of 1.660 (leucine) selected for 
                       automated muatation                                                         (00:04:11)
[INFO]       Auto_mut: Residue number 129 from chain A and a score of 1.565 (valine) selected for  
                       automated muatation                                                         (00:04:11)
[INFO]       Auto_mut: Mutating residue number 115 from chain A (isoleucine) into glutamic acid    (00:04:11)
[INFO]       Auto_mut: Mutating residue number 115 from chain A (isoleucine) into aspartic acid    (00:04:11)
[INFO]       Auto_mut: Mutating residue number 374 from chain A (isoleucine) into glutamic acid    (00:04:11)
[INFO]       Auto_mut: Mutating residue number 115 from chain A (isoleucine) into lysine           (00:06:41)
[INFO]       Auto_mut: Mutating residue number 115 from chain A (isoleucine) into arginine         (00:06:44)
[INFO]       Auto_mut: Mutating residue number 374 from chain A (isoleucine) into lysine           (00:06:45)
[INFO]       Auto_mut: Mutating residue number 374 from chain A (isoleucine) into aspartic acid    (00:09:17)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 323 from chain A (phenylalanine) into glutamic acid (00:09:19)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 323 from chain A (phenylalanine) into aspartic acid (00:09:27)
[INFO]       Auto_mut: Mutating residue number 374 from chain A (isoleucine) into arginine         (00:11:50)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (phenylalanine) into lysine        (00:11:56)
[INFO]       Auto_mut: Mutating residue number 323 from chain A (phenylalanine) into arginine      (00:12:05)
[INFO]       Auto_mut: Mutating residue number 186 from chain A (valine) into glutamic acid        (00:14:25)
[INFO]       Auto_mut: Mutating residue number 186 from chain A (valine) into aspartic acid        (00:14:36)
[INFO]       Auto_mut: Mutating residue number 356 from chain A (leucine) into glutamic acid       (00:14:44)
[INFO]       Auto_mut: Mutating residue number 186 from chain A (valine) into lysine               (00:16:52)
[INFO]       Auto_mut: Mutating residue number 186 from chain A (valine) into arginine             (00:16:59)
[INFO]       Auto_mut: Mutating residue number 356 from chain A (leucine) into lysine              (00:17:20)
[INFO]       Auto_mut: Mutating residue number 356 from chain A (leucine) into aspartic acid       (00:19:20)
[INFO]       Auto_mut: Mutating residue number 129 from chain A (valine) into glutamic acid        (00:19:35)
[INFO]       Auto_mut: Mutating residue number 129 from chain A (valine) into aspartic acid        (00:19:55)
[INFO]       Auto_mut: Mutating residue number 356 from chain A (leucine) into arginine            (00:21:51)
[INFO]       Auto_mut: Mutating residue number 129 from chain A (valine) into lysine               (00:22:08)
[INFO]       Auto_mut: Mutating residue number 129 from chain A (valine) into arginine             (00:22:27)
[INFO]       Auto_mut: Effect of mutation residue number 115 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: -0.1451 kcal/mol, Difference in average   
                       score from the base case: -0.0115                                           (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 115 from chain A (isoleucine) into        
                       lysine: Energy difference: -0.1623 kcal/mol, Difference in average score    
                       from the base case: -0.0095                                                 (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 115 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: 0.4682 kcal/mol, Difference in average    
                       score from the base case: -0.0122                                           (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 115 from chain A (isoleucine) into        
                       arginine: Energy difference: -0.0811 kcal/mol, Difference in average score  
                       from the base case: -0.0131                                                 (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 374 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: -0.4938 kcal/mol, Difference in average   
                       score from the base case: -0.0114                                           (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 374 from chain A (isoleucine) into        
                       lysine: Energy difference: -0.0570 kcal/mol, Difference in average score    
                       from the base case: -0.0117                                                 (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 374 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: -0.2438 kcal/mol, Difference in average   
                       score from the base case: -0.0105                                           (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 374 from chain A (isoleucine) into        
                       arginine: Energy difference: -0.0300 kcal/mol, Difference in average score  
                       from the base case: -0.0115                                                 (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 0.6908 kcal/mol, Difference in average    
                       score from the base case: -0.0100                                           (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (phenylalanine) into     
                       lysine: Energy difference: -0.2556 kcal/mol, Difference in average score    
                       from the base case: -0.0110                                                 (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 0.2197 kcal/mol, Difference in average    
                       score from the base case: -0.0113                                           (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 323 from chain A (phenylalanine) into     
                       arginine: Energy difference: -0.3084 kcal/mol, Difference in average score  
                       from the base case: -0.0113                                                 (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 186 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.6772 kcal/mol, Difference in average score from 
                       the base case: -0.0099                                                      (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 186 from chain A (valine) into lysine:    
                       Energy difference: -0.4594 kcal/mol, Difference in average score from the   
                       base case: -0.0098                                                          (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 186 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.0597 kcal/mol, Difference in average score from 
                       the base case: -0.0097                                                      (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 186 from chain A (valine) into arginine:  
                       Energy difference: -0.2542 kcal/mol, Difference in average score from the   
                       base case: -0.0101                                                          (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 356 from chain A (leucine) into glutamic  
                       acid: Energy difference: -0.4550 kcal/mol, Difference in average score from 
                       the base case: -0.0094                                                      (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 356 from chain A (leucine) into lysine:   
                       Energy difference: -1.9636 kcal/mol, Difference in average score from the   
                       base case: -0.0093                                                          (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 356 from chain A (leucine) into aspartic  
                       acid: Energy difference: -1.5995 kcal/mol, Difference in average score from 
                       the base case: -0.0095                                                      (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 356 from chain A (leucine) into arginine: 
                       Energy difference: -0.4984 kcal/mol, Difference in average score from the   
                       base case: -0.0096                                                          (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 129 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.1147 kcal/mol, Difference in average score from 
                       the base case: -0.0091                                                      (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 129 from chain A (valine) into lysine:    
                       Energy difference: -0.7188 kcal/mol, Difference in average score from the   
                       base case: -0.0097                                                          (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 129 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.6514 kcal/mol, Difference in average score from  
                       the base case: -0.0098                                                      (00:25:07)
[INFO]       Auto_mut: Effect of mutation residue number 129 from chain A (valine) into arginine:  
                       Energy difference: -0.9177 kcal/mol, Difference in average score from the   
                       base case: -0.0102                                                          (00:25:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:25:18)
Show buried residues

Minimal score value
-2.4513
Maximal score value
2.0441
Average score
-0.3909
Total score value
-222.0337

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 1.0475
2 A A 0.2697
3 M A 0.3246
4 F A 0.0000
5 M A 0.2449
6 V A 0.0000
7 K A -1.5203
8 N A -0.8685
9 G A -0.7869
10 N A -1.4001
11 G A -0.4781
12 T A -0.0688
13 A A 0.0000
14 C A 0.0000
15 I A 0.0000
16 M A 0.0000
17 A A 0.0000
18 N A -0.3083
19 F A 0.0000
20 S A 0.0720
21 A A 0.0000
22 A A -0.2357
23 F A 0.0000
24 S A -0.0543
25 V A 0.0000
26 N A -1.0749
27 Y A 0.0000
28 D A -1.8275
29 T A -0.6526
30 K A -1.7390
31 S A -0.5401
32 G A -0.2296
33 P A -0.8446
34 K A -1.9801
35 N A -1.6730
36 M A -0.0058
37 T A 0.0016
38 F A -0.1433
39 D A -1.7220
40 L A -0.1814
41 P A -0.1066
42 S A -0.5492
43 D A -1.8260
44 A A -0.3269
45 T A -0.0324
46 V A 0.2403
47 V A 0.5992
48 L A 1.3715
49 N A -1.2728
50 R A -1.7862
51 S A 0.0000
52 S A -0.0844
53 C A 0.1004
54 G A 0.0000
55 K A -2.0325
56 E A -2.3592
57 N A -1.6126
58 T A -0.3353
59 S A -0.5616
60 D A -1.8293
61 P A 0.0000
62 S A -0.1027
63 L A 0.0000
64 V A 0.0000
65 I A 0.0000
66 A A 0.0114
67 F A 0.0000
68 G A -0.7979
69 R A -1.9914
70 G A -0.6842
71 H A 0.0000
72 T A 0.0000
73 L A 0.0000
74 T A -0.0113
75 L A 0.0000
76 N A -0.6364
77 F A 0.0000
78 T A -0.3585
79 R A -2.0866
80 N A -1.6075
81 A A -0.1837
82 T A -0.2491
83 R A -1.0592
84 Y A 0.0000
85 S A -0.3029
86 V A 0.0000
87 Q A -0.7253
88 L A 0.4275
89 M A 0.0000
90 S A -0.2903
91 F A 0.0000
92 V A 0.2750
93 Y A 0.0000
94 N A 0.0629
95 L A 0.0000
96 S A -0.2842
97 D A 0.0000
98 T A -0.2672
99 H A -0.9593
100 L A 0.0641
101 F A 0.0000
102 P A -0.3874
103 N A -1.2985
104 A A -0.2440
105 S A -0.1410
106 S A -0.4382
107 K A -2.0609
108 E A -1.8375
109 I A 1.0672
110 K A -0.5516
111 T A -0.1824
112 V A 0.0000
113 E A -1.8295
114 S A 0.0037
115 I A 2.0441
116 T A 0.0303
117 D A -1.7909
118 I A 0.0000
119 R A -1.6008
120 A A 0.0000
121 D A -0.4110
122 I A 0.0498
123 D A -1.8019
124 K A -1.0318
125 K A 0.0000
126 Y A 0.0000
127 R A -0.7073
128 C A 0.0000
129 V A 1.5645
130 S A 0.1934
131 G A -0.3094
132 T A 0.0000
133 Q A -1.1993
134 V A 0.0000
135 H A -0.9915
136 M A 0.0000
137 N A -1.3656
138 N A -0.7450
139 V A 0.0000
140 T A -0.1352
141 V A 0.0000
142 T A -0.1708
143 L A 0.0000
144 H A -0.6947
145 D A -1.0935
146 A A 0.0000
147 T A 0.0000
148 I A 0.0000
149 Q A 0.0000
150 A A 0.0000
151 Y A 0.3139
152 L A 0.0000
153 S A -0.4404
154 N A -1.3260
155 S A -0.3288
156 S A -0.0758
157 F A 0.1789
158 S A -0.3363
159 R A -1.8907
160 G A -0.7499
161 E A -0.7684
162 T A -0.4691
163 R A -1.8989
164 C A 0.0000
165 E A -2.2140
166 Q A -1.5944
167 D A -0.9201
168 R A -2.0081
169 P A -0.6009
170 S A -0.3049
171 P A -0.3062
172 T A -0.1309
173 T A -0.0734
174 A A -0.0002
175 P A -0.2899
176 P A -0.2898
177 A A -0.0340
178 P A -0.2901
179 P A -0.3394
180 S A -0.3060
181 P A -0.3323
182 S A -0.3040
183 P A -0.3323
184 S A -0.3063
185 P A 0.0265
186 V A 1.6813
187 P A -0.2451
188 K A -1.7845
189 S A -0.5204
190 P A 0.0000
191 S A -0.1134
192 V A 0.2267
193 D A -1.2393
194 K A -1.8958
195 Y A 0.0000
196 N A -0.9347
197 V A 0.0000
198 S A -0.2622
199 G A -0.2632
200 T A -0.3369
201 N A -1.3424
202 G A -0.5567
203 T A -0.0984
204 C A 0.3145
205 L A 0.0000
206 L A 1.4071
207 A A 0.2711
208 S A -0.3243
209 M A 0.0000
210 G A 0.0000
211 L A 0.0000
212 Q A -0.1738
213 L A 0.0000
214 N A -0.2098
215 L A 0.0000
216 T A -0.0231
217 Y A 0.0000
218 E A -0.9658
219 R A -1.3043
220 K A -2.3929
221 D A -2.3160
222 N A -1.5955
223 T A -0.2784
224 T A -0.1267
225 V A 0.3551
226 T A -0.1401
227 R A -0.5749
228 L A 1.0188
229 L A 0.4901
230 N A -0.3211
231 I A 0.0000
232 N A -0.8220
233 P A -0.3993
234 N A -1.5809
235 K A -1.9289
236 T A -0.3640
237 S A -0.2096
238 A A -0.0447
239 S A -0.2338
240 G A -0.3806
241 S A -0.1753
242 C A 0.2157
243 G A -0.1913
244 A A -0.1334
245 H A -0.6243
246 L A 0.3867
247 V A 0.3424
248 T A -0.0504
249 L A 0.0000
250 E A -0.4653
251 L A 0.0000
252 H A -0.4442
253 S A -0.4397
254 E A -1.9088
255 G A -0.8101
256 T A -0.1552
257 T A 0.0000
258 V A 0.2982
259 L A 0.0000
260 L A 0.1806
261 F A 0.0000
262 Q A -0.3782
263 F A 0.1269
264 G A 0.0000
265 M A 0.1322
266 N A -0.8365
267 A A -0.1971
268 S A -0.2344
269 S A -0.2038
270 S A -0.3066
271 R A -0.7054
272 F A 0.3689
273 F A 0.2148
274 L A 0.0000
275 Q A -0.2862
276 G A 0.0000
277 I A 0.0000
278 Q A -0.9810
279 L A 0.0000
280 N A -0.5016
281 T A 0.0000
282 I A 1.4821
283 L A 0.0000
284 P A -0.3556
285 D A -0.6085
286 A A 0.0000
287 R A -2.4513
288 D A -2.0233
289 P A -0.4740
290 A A 0.1386
291 F A 0.0000
292 K A -0.9241
293 A A 0.0000
294 A A -0.1738
295 N A -0.3080
296 G A -0.5452
297 S A -0.2677
298 L A -0.2493
299 R A -1.8138
300 A A -0.3234
301 L A 0.0000
302 Q A -0.5451
303 A A -0.1040
304 T A 0.1301
305 V A 1.4108
306 G A -0.4217
307 N A -1.3952
308 S A -0.3649
309 Y A 0.0825
310 K A -1.5926
311 C A -0.3722
312 N A -1.2330
313 A A -0.5089
314 E A -1.8853
315 E A -0.8348
316 H A -1.0311
317 V A 0.0000
318 R A -1.9502
319 V A 0.0000
320 T A -0.1263
321 K A -0.3141
322 A A 0.3187
323 F A 1.8599
324 G A -0.1546
325 G A -0.4294
326 G A -0.5219
327 G A -0.1439
328 S A -0.0795
329 L A 0.0000
330 E A -1.0508
331 V A 0.0000
332 L A 0.0327
333 F A 0.0000
334 Q A -0.3551
335 G A -0.1156
336 P A -0.5146
337 E A -1.8975
338 P A -0.8931
339 K A -1.7851
340 S A -0.3893
341 C A 0.3649
342 D A -1.9606
343 K A -2.0339
344 T A -0.5508
345 H A -1.0156
346 T A -0.1161
347 C A 0.6728
348 P A -0.1691
349 P A -0.1668
350 C A 0.6389
351 P A -0.1190
352 A A -0.0720
353 P A -0.5812
354 E A -1.6703
355 L A 1.0253
356 L A 1.6604
357 G A -0.2029
358 G A -0.1540
359 P A 0.0000
360 S A -0.0787
361 V A 0.0000
362 F A 0.6515
363 L A 0.5364
364 F A 1.2985
365 P A 0.1088
366 P A 0.0000
367 K A -1.7049
368 P A -0.4020
369 K A -0.4554
370 D A -0.3095
371 T A 0.0000
372 L A 0.1877
373 M A 0.5920
374 I A 2.0115
375 S A -0.1842
376 R A -1.8935
377 T A -0.4007
378 P A 0.0000
379 E A -1.0474
380 V A 0.0000
381 T A -0.0132
382 C A 0.0000
383 V A 0.0000
384 V A 0.0000
385 V A 0.0000
386 D A -0.7005
387 V A 0.0000
388 S A -0.2166
389 H A -1.3224
390 E A -2.0632
391 D A -0.7038
392 P A -0.4421
393 E A -1.7847
394 V A -0.4004
395 K A -1.6113
396 F A -0.0988
397 N A -0.1540
398 W A 0.0000
399 Y A -0.0192
400 V A -0.0573
401 D A -1.8309
402 G A -0.4728
403 V A 1.4627
404 E A -0.8484
405 V A -0.0475
406 H A -1.1521
407 N A -1.4468
408 A A -0.5191
409 K A -1.7067
410 T A -0.5210
411 K A -0.9280
412 P A -0.6927
413 R A -1.9209
414 E A -2.4272
415 E A -2.1634
416 Q A -0.2704
417 Y A 1.0569
418 N A -1.0714
419 S A -0.4079
420 T A -0.0185
421 Y A -0.2637
422 R A -0.9366
423 V A 0.0000
424 V A 0.1857
425 S A 0.0000
426 V A 0.0000
427 L A 0.0000
428 T A -0.1740
429 V A 0.0000
430 L A 1.2116
431 H A 0.0000
432 Q A -0.9921
433 D A -0.5273
434 W A 0.0000
435 L A -0.0370
436 N A -1.2500
437 G A -0.5106
438 K A -0.7795
439 E A -1.2254
440 Y A 0.0000
441 K A -0.4023
442 C A 0.0000
443 K A -0.6573
444 V A 0.0000
445 S A -0.0903
446 N A 0.0000
447 K A -1.6975
448 A A -0.2618
449 L A 0.1253
450 P A -0.2204
451 A A -0.0475
452 P A -0.0754
453 I A 0.0839
454 E A -1.9218
455 K A -1.0406
456 T A -0.1919
457 I A 0.2973
458 S A -0.1513
459 K A -0.2394
460 A A -0.3093
461 K A -1.7783
462 G A -0.9955
463 Q A -1.3007
464 P A -0.5438
465 R A -1.6229
466 E A -2.0570
467 P A 0.0000
468 Q A -1.0303
469 V A 0.0000
470 Y A 0.6287
471 T A 0.2370
472 L A 0.6935
473 P A -0.1106
474 P A -0.0944
475 S A -0.4679
476 R A -2.1960
477 E A -2.2056
478 E A -0.5873
479 M A 0.1273
480 T A -0.3381
481 K A -1.9417
482 N A -1.7439
483 Q A -1.2861
484 V A 0.0000
485 S A -0.0457
486 L A 0.0000
487 T A 0.0000
488 C A 0.0000
489 L A 0.2667
490 V A 0.0000
491 K A -0.5984
492 G A -0.1826
493 F A 0.0000
494 Y A 0.0975
495 P A 0.0000
496 S A -0.1882
497 D A -0.6152
498 I A 0.0841
499 A A 0.0000
500 V A 0.0000
501 E A -0.5724
502 W A 0.0000
503 E A -0.5250
504 S A 0.0000
505 N A -1.3555
506 G A -0.9052
507 Q A -1.3271
508 P A -0.5789
509 E A -0.4790
510 N A -1.5376
511 N A -1.4547
512 Y A -0.2856
513 K A -1.6592
514 T A -0.3491
515 T A -0.0792
516 P A -0.1873
517 P A -0.0081
518 V A 0.8168
519 L A 1.5109
520 D A -0.6904
521 S A -0.6988
522 D A -1.8827
523 G A -0.6310
524 S A 0.0000
525 F A 0.5376
526 F A 0.3916
527 L A 0.0000
528 Y A 0.5715
529 S A 0.0000
530 K A -1.2965
531 L A 0.0000
532 T A -0.0283
533 V A 0.0000
534 D A -1.2682
535 K A -0.7652
536 S A -0.4181
537 R A -0.6490
538 W A 0.0000
539 Q A -1.4132
540 Q A -1.4557
541 G A -0.5210
542 N A -0.2081
543 V A 1.1093
544 F A 0.0000
545 S A -0.0514
546 C A 0.0000
547 S A 0.0000
548 V A 0.0000
549 M A 0.0000
550 H A 0.0000
551 E A -0.2908
552 A A -0.2127
553 L A -0.0463
554 H A -1.1855
555 N A -1.4953
556 H A -0.3844
557 Y A 0.3842
558 T A -0.1598
559 Q A -1.3880
560 K A -1.2715
561 S A -0.3667
562 L A 0.0000
563 S A 0.1402
564 L A 0.4125
565 S A -0.1745
566 P A -0.3777
567 G A -0.8229
568 K A -1.7851
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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
LK356A -1.9636 -0.0093 View CSV PDB
LD356A -1.5995 -0.0095 View CSV PDB
VR129A -0.9177 -0.0102 View CSV PDB
VK129A -0.7188 -0.0097 View CSV PDB
VE186A -0.6772 -0.0099 View CSV PDB
IE374A -0.4938 -0.0114 View CSV PDB
VK186A -0.4594 -0.0098 View CSV PDB
FR323A -0.3084 -0.0113 View CSV PDB
FK323A -0.2556 -0.011 View CSV PDB
ID374A -0.2438 -0.0105 View CSV PDB
IR115A -0.0811 -0.0131 View CSV PDB
IE115A -0.1451 -0.0115 View CSV PDB
 

Laboratory of Theory of Biopolymers 2018