Project name: moh2

Status: done

Started: 2024-07-22 22:35:51
Settings
Chain sequence(s) A: AENLWVTVYYGVPVWKEAKTTLFCASDAKAYEKEVHNVWATHACVPTDPNPQEVVLENVTENFNMWKNDMVDQMQEDVISIWDQSLKPCVKLTPLCVTLQCTNYAPNLLSNMRGELKQCSFNITTEIRDKRQKVHALFYKLDIVPLDNENQNTSYRLINCNTSTCTQACPKVTFDPIPIHYCAPAGYAILKCNNKTFNGKGPCNNVSTVQCTHGIKPVVSTQLLLNGSLAEEEVVIRSKNLRNNAKIIIVQLNKSVEIVCTRPNNNTRRSIRIGPGQTFYAFGDIIGDIRMAHCNISGRNWSEAVNQVKKKLKEHFPHKNISFQSSSGGDLEITTHSFNCGGEFFYCNTSGLFNDTISNATIVLPCRIKQIINMWQEPGKCIYAPPIKGNITCKSDITGLLLLRDGGNALRPTEIFRPSGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVGRRRRRRAVGIGAVSLGFLGAAGSTMGAASMTLTVQARNLLSGIVQQQSNLLRAPEPQQHLLKDTHWGIKQLQARVLAVEHYLRDQQLLGIWGCSGKLICCTNVPWNSSWSNRNLSEIWDNMTWLQWDKEISNYTQIIYGLLEESQNQQEKNEQDLLALD
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations Yes
Downloads Download all the data
Simulation log 
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:27)
[INFO]       Auto_mut: Residue number 465 from chain A and a score of 2.173 (isoleucine) selected  
                       for automated muatation                                                     (00:05:34)
[INFO]       Auto_mut: Residue number 530 from chain A and a score of 1.972 (valine) selected for  
                       automated muatation                                                         (00:05:34)
[INFO]       Auto_mut: Residue number 468 from chain A and a score of 1.954 (valine) selected for  
                       automated muatation                                                         (00:05:34)
[INFO]       Auto_mut: Residue number 526 from chain A and a score of 1.774 (leucine) selected for 
                       automated muatation                                                         (00:05:34)
[INFO]       Auto_mut: Residue number 533 from chain A and a score of 1.574 (valine) selected for  
                       automated muatation                                                         (00:05:34)
[INFO]       Auto_mut: Residue number 463 from chain A and a score of 1.536 (valine) selected for  
                       automated muatation                                                         (00:05:34)
[INFO]       Auto_mut: Mutating residue number 465 from chain A (isoleucine) into glutamic acid    (00:05:34)
[INFO]       Auto_mut: Mutating residue number 465 from chain A (isoleucine) into aspartic acid    (00:05:34)
[INFO]       Auto_mut: Mutating residue number 530 from chain A (valine) into glutamic acid        (00:05:34)
[INFO]       Auto_mut: Mutating residue number 465 from chain A (isoleucine) into lysine           (00:08:51)
[INFO]       Auto_mut: Mutating residue number 465 from chain A (isoleucine) into arginine         (00:09:10)
[INFO]       Auto_mut: Mutating residue number 530 from chain A (valine) into lysine               (00:09:12)
[INFO]       Auto_mut: Mutating residue number 530 from chain A (valine) into aspartic acid        (00:12:23)
[INFO]       Auto_mut: Mutating residue number 468 from chain A (valine) into glutamic acid        (00:12:44)
[INFO]       Auto_mut: Mutating residue number 468 from chain A (valine) into aspartic acid        (00:13:08)
[INFO]       Auto_mut: Mutating residue number 530 from chain A (valine) into arginine             (00:15:58)
[INFO]       Auto_mut: Mutating residue number 468 from chain A (valine) into lysine               (00:16:18)
[INFO]       Auto_mut: Mutating residue number 468 from chain A (valine) into arginine             (00:16:39)
[INFO]       Auto_mut: Mutating residue number 526 from chain A (leucine) into glutamic acid       (00:19:44)
[INFO]       Auto_mut: Mutating residue number 526 from chain A (leucine) into aspartic acid       (00:20:04)
[INFO]       Auto_mut: Mutating residue number 533 from chain A (valine) into glutamic acid        (00:20:30)
[INFO]       Auto_mut: Mutating residue number 526 from chain A (leucine) into lysine              (00:25:30)
[INFO]       Auto_mut: Mutating residue number 533 from chain A (valine) into lysine               (00:25:56)
[INFO]       Auto_mut: Mutating residue number 526 from chain A (leucine) into arginine            (00:26:29)
[INFO]       Auto_mut: Mutating residue number 533 from chain A (valine) into aspartic acid        (00:34:43)
[INFO]       Auto_mut: Mutating residue number 463 from chain A (valine) into glutamic acid        (00:34:44)
[INFO]       Auto_mut: Mutating residue number 463 from chain A (valine) into aspartic acid        (00:35:26)
[INFO]       Auto_mut: Mutating residue number 533 from chain A (valine) into arginine             (00:38:21)
[INFO]       Auto_mut: Mutating residue number 463 from chain A (valine) into lysine               (00:38:25)
[INFO]       Auto_mut: Mutating residue number 463 from chain A (valine) into arginine             (00:39:02)
[INFO]       Auto_mut: Effect of mutation residue number 465 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: -2.8706 kcal/mol, Difference in average   
                       score from the base case: -0.0298                                           (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 465 from chain A (isoleucine) into        
                       lysine: Energy difference: -2.3149 kcal/mol, Difference in average score    
                       from the base case: -0.0293                                                 (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 465 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: -2.3596 kcal/mol, Difference in average   
                       score from the base case: -0.0297                                           (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 465 from chain A (isoleucine) into        
                       arginine: Energy difference: -2.1794 kcal/mol, Difference in average score  
                       from the base case: -0.0299                                                 (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 530 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.2818 kcal/mol, Difference in average score from 
                       the base case: -0.0337                                                      (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 530 from chain A (valine) into lysine:    
                       Energy difference: -0.4381 kcal/mol, Difference in average score from the   
                       base case: -0.0323                                                          (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 530 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.2391 kcal/mol, Difference in average score from  
                       the base case: -0.0342                                                      (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 530 from chain A (valine) into arginine:  
                       Energy difference: -0.2360 kcal/mol, Difference in average score from the   
                       base case: -0.0380                                                          (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 468 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.0023 kcal/mol, Difference in average score from  
                       the base case: -0.0287                                                      (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 468 from chain A (valine) into lysine:    
                       Energy difference: -0.4769 kcal/mol, Difference in average score from the   
                       base case: -0.0301                                                          (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 468 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.3283 kcal/mol, Difference in average score from 
                       the base case: -0.0288                                                      (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 468 from chain A (valine) into arginine:  
                       Energy difference: -0.4077 kcal/mol, Difference in average score from the   
                       base case: -0.0309                                                          (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain A (leucine) into glutamic  
                       acid: Energy difference: -0.0105 kcal/mol, Difference in average score from 
                       the base case: -0.0297                                                      (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain A (leucine) into lysine:   
                       Energy difference: 0.1335 kcal/mol, Difference in average score from the    
                       base case: -0.0314                                                          (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain A (leucine) into aspartic  
                       acid: Energy difference: -0.4435 kcal/mol, Difference in average score from 
                       the base case: -0.0290                                                      (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain A (leucine) into arginine: 
                       Energy difference: 0.1119 kcal/mol, Difference in average score from the    
                       base case: -0.0242                                                          (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 533 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.0700 kcal/mol, Difference in average score from 
                       the base case: -0.0308                                                      (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 533 from chain A (valine) into lysine:    
                       Energy difference: -0.5865 kcal/mol, Difference in average score from the   
                       base case: -0.0326                                                          (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 533 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.5732 kcal/mol, Difference in average score from  
                       the base case: -0.0331                                                      (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 533 from chain A (valine) into arginine:  
                       Energy difference: -0.2642 kcal/mol, Difference in average score from the   
                       base case: -0.0379                                                          (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 463 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.1955 kcal/mol, Difference in average score from 
                       the base case: -0.0278                                                      (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 463 from chain A (valine) into lysine:    
                       Energy difference: -0.1614 kcal/mol, Difference in average score from the   
                       base case: -0.0275                                                          (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 463 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.8794 kcal/mol, Difference in average score from 
                       the base case: -0.0279                                                      (00:42:29)
[INFO]       Auto_mut: Effect of mutation residue number 463 from chain A (valine) into arginine:  
                       Energy difference: 0.0011 kcal/mol, Difference in average score from the    
                       base case: -0.0281                                                          (00:42:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:42:43)
Show buried residues
Minimal score value
-4.3273
Maximal score value
2.173
Average score
-0.7489
Total score value
-459.8384
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 A A -1.3797
2 E A -2.6672
3 N A -2.4261
4 L A -1.8699
5 W A 0.0000
6 V A 0.0000
7 T A 0.0000
8 V A 0.0000
9 Y A 0.0000
10 Y A 0.0000
11 G A 0.0000
12 V A 0.0000
13 P A 0.0000
14 V A 0.0000
15 W A 0.0000
16 K A -2.0156
17 E A -2.6625
18 A A -2.0543
19 K A -2.3186
20 T A 0.0000
21 T A -0.4755
22 L A 0.0000
23 F A 0.0000
24 C A 0.0000
25 A A 0.0000
26 S A 0.0000
27 D A -1.6441
28 A A -1.3267
29 K A -1.9400
30 A A -1.0847
31 Y A -0.2988
32 E A -2.1914
33 K A -1.9860
34 E A -2.5257
35 V A -1.4561
36 H A -1.8419
37 N A 0.0000
38 V A 0.0000
39 W A 0.0000
40 A A 0.0000
41 T A -0.8641
42 H A -0.8981
43 A A 0.0000
44 C A 0.0000
45 V A -0.4045
46 P A -0.6322
47 T A -0.8557
48 D A 0.0000
49 P A -1.2674
50 N A -1.7895
51 P A -1.4784
52 Q A -1.3088
53 E A -0.8473
54 V A 0.0000
55 V A 0.8479
56 L A 0.0000
57 E A -2.2389
58 N A -2.3695
59 V A 0.0000
60 T A -1.7033
61 E A -1.4518
62 N A -1.9633
63 F A 0.0000
64 N A -1.6316
65 M A 0.0000
66 W A -0.2953
67 K A -1.7531
68 N A 0.0000
69 D A -1.5382
70 M A 0.0000
71 V A 0.0000
72 D A -1.7834
73 Q A -1.4349
74 M A 0.0000
75 Q A 0.0000
76 E A -1.8774
77 D A 0.0000
78 V A 0.0000
79 I A -0.2656
80 S A -0.5255
81 I A 0.0000
82 W A 0.0000
83 D A -1.0441
84 Q A -1.1144
85 S A -0.9503
86 L A 0.0000
87 K A -2.1146
88 P A -1.2159
89 C A 0.0000
90 V A -0.6724
91 K A -1.1547
92 L A 0.0000
93 T A -0.1661
94 P A -0.0794
95 L A 0.0000
96 C A 0.4911
97 V A 0.1842
98 T A -0.2966
99 L A 0.0000
100 Q A -2.0440
101 C A 0.0000
102 T A -1.4410
103 N A -1.1009
104 Y A -0.3998
105 A A -0.0743
106 P A -0.4190
107 N A -0.7422
108 L A 0.9560
109 L A 1.0900
110 S A -0.1130
111 N A -1.0734
112 M A -0.8295
113 R A -1.7405
114 G A -1.0376
115 E A 0.0000
116 L A 0.0000
117 K A 0.0000
118 Q A -1.1844
119 C A 0.0000
120 S A -1.5383
121 F A 0.0000
122 N A -2.5645
123 I A 0.0000
124 T A -2.4697
125 T A 0.0000
126 E A -2.2367
127 I A -1.3853
128 R A -3.0000
129 D A -3.4211
130 K A -3.7428
131 R A -4.0389
132 Q A -2.8204
133 K A -2.7079
134 V A 0.0000
135 H A -1.9083
136 A A 0.0000
137 L A 0.0000
138 F A 0.0000
139 Y A 0.0000
140 K A -0.2946
141 L A 0.2413
142 D A 0.0000
143 I A 0.0000
144 V A 0.6387
145 P A -1.1010
146 L A -1.6280
147 D A -2.8056
148 N A -3.6126
149 E A -3.9462
150 N A -3.8355
151 Q A -3.2330
152 N A -3.1256
153 T A -2.8234
154 S A -2.0219
155 Y A 0.0000
156 R A -0.2897
157 L A 0.0000
158 I A 0.5587
159 N A 0.0000
160 C A -0.1616
161 N A -1.0918
162 T A -0.8015
163 S A -0.9426
164 T A -0.7042
165 C A -0.4554
166 T A -0.7434
167 Q A 0.0000
168 A A 0.0000
169 C A -0.4778
170 P A -0.5915
171 K A -1.8030
172 V A -0.9532
173 T A -0.6128
174 F A -0.4790
175 D A -0.8960
176 P A -0.4660
177 I A -0.3676
178 P A -0.5640
179 I A 0.0000
180 H A -0.6249
181 Y A 0.0000
182 C A 0.0000
183 A A 0.0000
184 P A 0.0000
185 A A 0.0000
186 G A 0.2457
187 Y A 0.0000
188 A A 0.0000
189 I A 0.0000
190 L A 0.0000
191 K A -0.5804
192 C A 0.0000
193 N A -1.4816
194 N A -2.5263
195 K A -3.2684
196 T A -2.1700
197 F A 0.0000
198 N A -1.9735
199 G A 0.0000
200 K A -1.9390
201 G A -1.6648
202 P A -1.8439
203 C A 0.0000
204 N A -2.5435
205 N A -2.1703
206 V A 0.0000
207 S A 0.0000
208 T A 0.0000
209 V A 0.0000
210 Q A 0.0000
211 C A 0.0000
212 T A 0.0000
213 H A -1.0314
214 G A 0.0000
215 I A 0.0000
216 K A -0.6234
217 P A 0.0000
218 V A 0.0236
219 V A 0.2698
220 S A 0.0000
221 T A 0.0000
222 Q A 0.0000
223 L A 0.0000
224 L A 0.0000
225 L A 0.0000
226 N A -1.1862
227 G A -0.4856
228 S A -0.3077
229 L A -0.6577
230 A A 0.0000
231 E A -3.6072
232 E A -3.6683
233 E A -3.0545
234 V A 0.0000
235 V A 0.0000
236 I A 0.0000
237 R A 0.0000
238 S A -0.6641
239 K A -0.9431
240 N A -1.3720
241 L A -1.2774
242 R A -2.5014
243 N A -1.9327
244 N A -1.9724
245 A A -1.1622
246 K A -1.2847
247 I A -0.3602
248 I A 0.0000
249 I A 0.0000
250 V A 0.0000
251 Q A 0.0000
252 L A 0.0000
253 N A -2.2926
254 K A -2.7010
255 S A -1.5979
256 V A 0.0000
257 E A -2.6178
258 I A 0.0000
259 V A -0.7379
260 C A 0.0000
261 T A -0.4465
262 R A 0.0000
263 P A -1.2190
264 N A 0.0000
265 N A -1.3505
266 N A 0.0000
267 T A -1.3922
268 R A -1.8199
269 R A -2.4603
270 S A -1.3108
271 I A -1.0584
272 R A -1.8755
273 I A 0.0000
274 G A -1.2941
275 P A -1.0925
276 G A -1.2378
277 Q A -1.4739
278 T A -1.2667
279 F A 0.0000
280 Y A -0.5783
281 A A 0.0000
282 F A 0.0000
283 G A 0.0000
284 D A -1.0429
285 I A 0.0000
286 I A 0.5846
287 G A -0.9579
288 D A -2.1976
289 I A -1.3322
290 R A -1.9213
291 M A -0.3941
292 A A 0.0000
293 H A -0.3055
294 C A 0.0000
295 N A -0.4266
296 I A 0.0000
297 S A -1.0111
298 G A -1.1966
299 R A -2.3845
300 N A -1.9520
301 W A 0.0000
302 S A -1.6092
303 E A -1.8768
304 A A 0.0000
305 V A -0.9286
306 N A -1.3167
307 Q A -1.6204
308 V A 0.0000
309 K A 0.0000
310 K A -2.7184
311 K A -2.2022
312 L A 0.0000
313 K A -2.7591
314 E A -3.0375
315 H A -2.1663
316 F A 0.0000
317 P A -1.9932
318 H A -2.5834
319 K A -2.0655
320 N A -1.7855
321 I A 0.0000
322 S A -0.3219
323 F A 0.0000
324 Q A -1.4554
325 S A -1.0753
326 S A -0.6332
327 S A -0.7689
328 G A -0.9607
329 G A -1.2816
330 D A -1.4670
331 L A -0.4605
332 E A -0.6219
333 I A -0.4493
334 T A -0.6420
335 T A 0.0000
336 H A 0.0000
337 S A 0.0000
338 F A 0.0000
339 N A -0.4014
340 C A -0.6528
341 G A -0.7246
342 G A -0.3645
343 E A 0.0000
344 F A 0.0000
345 F A 0.0000
346 Y A 0.0000
347 C A 0.0000
348 N A -0.7725
349 T A 0.0000
350 S A -0.7123
351 G A -0.2993
352 L A 0.0000
353 F A 0.0000
354 N A -1.9037
355 D A -1.1809
356 T A -0.4761
357 I A 0.1290
358 S A -0.5524
359 N A -1.6932
360 A A -1.2100
361 T A -0.4840
362 I A 0.4092
363 V A 1.3958
364 L A 0.0000
365 P A -0.1770
366 C A 0.0000
367 R A -0.7200
368 I A 0.0000
369 K A -0.2954
370 Q A 0.0000
371 I A 0.0000
372 I A 0.0000
373 N A -1.3161
374 M A -0.7609
375 W A -0.9506
376 Q A -2.0718
377 E A -1.9749
378 P A -1.5606
379 G A -1.4374
380 K A -1.7823
381 C A 0.0000
382 I A 0.0000
383 Y A 0.0000
384 A A 0.0000
385 P A -0.3046
386 P A 0.0000
387 I A -0.7334
388 K A -1.9296
389 G A -1.3179
390 N A -1.7842
391 I A 0.0000
392 T A -0.6407
393 C A -0.6830
394 K A -2.0224
395 S A -1.6489
396 D A -1.9989
397 I A 0.0000
398 T A 0.0000
399 G A 0.0000
400 L A 0.0000
401 L A 0.0000
402 L A 0.0000
403 L A -0.1961
404 R A -1.2034
405 D A -1.5131
406 G A -1.6043
407 G A -1.2677
408 N A -1.4017
409 A A -0.5061
410 L A 0.0849
411 R A -1.7642
412 P A -1.1092
413 T A -0.8076
414 E A 0.0000
415 I A -0.3925
416 F A 0.0000
417 R A -0.6190
418 P A 0.0000
419 S A 0.0000
420 G A -0.3839
421 G A -1.0851
422 D A -1.1404
423 M A -0.4991
424 R A -1.1095
425 D A 0.0000
426 N A -0.3959
427 W A 0.0000
428 R A -0.5146
429 S A 0.0000
430 E A -0.4483
431 L A 0.0000
432 Y A 0.0000
433 K A -0.6516
434 Y A 0.0000
435 K A -1.2637
436 V A 0.0000
437 V A 0.0000
438 K A -1.2756
439 I A 0.0000
440 E A -0.4646
441 P A 0.0000
442 L A 0.1084
443 G A -0.0808
444 V A 0.0000
445 A A 0.0000
446 P A 0.0000
447 T A -1.2210
448 R A -2.5805
449 C A -1.6316
450 K A -1.7874
451 R A -1.2171
452 R A -1.4159
453 V A 0.9238
454 V A 0.9941
455 G A -0.7300
456 R A -2.7233
457 R A -4.0214
458 R A -4.2931
459 R A -4.3273
460 R A -3.9348
461 R A -2.7086
462 A A -0.2598
463 V A 1.5359
464 G A 1.0393
465 I A 2.1730
466 G A 1.1214
467 A A 1.2228
468 V A 1.9537
469 S A 1.0127
470 L A 0.9761
471 G A 0.4845
472 F A 0.0000
473 L A 0.0000
474 G A 0.0000
475 A A -0.3267
476 A A 0.0000
477 G A -1.2262
478 S A -1.0377
479 T A -0.9660
480 M A 0.0000
481 G A -0.4212
482 A A -0.1012
483 A A 0.0000
484 S A 0.6535
485 M A 0.9841
486 T A 0.5844
487 L A 0.0000
488 T A -0.0299
489 V A 0.1657
490 Q A 0.0000
491 A A -0.4431
492 R A -1.3516
493 N A 0.0000
494 L A 0.0000
495 L A 0.3237
496 S A -0.1591
497 G A 0.0000
498 I A 0.0000
499 V A -0.6458
500 Q A -1.2086
501 Q A -1.1647
502 Q A 0.0000
503 S A -0.7542
504 N A -1.1450
505 L A -0.2100
506 L A -0.7816
507 R A -1.8011
508 A A -1.1673
509 P A -1.4940
510 E A -2.4824
511 P A -1.7280
512 Q A -1.6527
513 Q A -1.7400
514 H A -1.9063
515 L A -0.2761
516 L A 0.0000
517 K A -2.4162
518 D A -2.0744
519 T A -1.0838
520 H A -0.5864
521 W A 0.0000
522 G A 0.0000
523 I A 0.4946
524 K A 0.0000
525 Q A 0.5030
526 L A 1.7745
527 Q A 0.9928
528 A A 0.0000
529 R A 0.7051
530 V A 1.9717
531 L A 1.0502
532 A A 0.0000
533 V A 1.5737
534 E A -0.4212
535 H A -0.1534
536 Y A 0.4932
537 L A 0.4101
538 R A -0.9522
539 D A 0.0000
540 Q A -0.8581
541 Q A -1.1711
542 L A -0.4562
543 L A 0.0000
544 G A -0.9223
545 I A -0.4352
546 W A 0.0000
547 G A -0.7946
548 C A 0.0000
549 S A -0.7684
550 G A -0.8788
551 K A -0.6685
552 L A 0.5332
553 I A 1.2235
554 C A 0.0000
555 C A -0.5916
556 T A 0.0000
557 N A -1.2029
558 V A -0.4187
559 P A -0.7005
560 W A 0.0000
561 N A -1.0670
562 S A -1.2771
563 S A -0.8779
564 W A -0.7415
565 S A -1.2886
566 N A -2.0912
567 R A -2.2447
568 N A -2.3649
569 L A 0.0000
570 S A -2.0241
571 E A -2.8296
572 I A 0.0000
573 W A -1.7537
574 D A -2.8601
575 N A -2.5155
576 M A 0.0000
577 T A -0.9289
578 W A 0.0000
579 L A -0.8960
580 Q A -1.5738
581 W A 0.0000
582 D A -1.7960
583 K A -2.6847
584 E A -2.1091
585 I A 0.0000
586 S A -1.5713
587 N A -1.6665
588 Y A -0.2883
589 T A -0.5640
590 Q A -0.4419
591 I A 1.0524
592 I A 0.0000
593 Y A 0.3672
594 G A 0.1050
595 L A 0.5476
596 L A 0.0000
597 E A -0.8910
598 E A -1.8143
599 S A -1.4469
600 Q A 0.0000
601 N A -2.2445
602 Q A -2.9012
603 Q A -3.3009
604 E A -3.7827
605 K A -3.9430
606 N A -3.1528
607 E A -3.0990
608 Q A -2.7869
609 D A -2.2008
610 L A 0.1336
611 L A 0.7714
612 A A 0.4845
613 L A 0.8232
614 D A -0.7347
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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
IE465A -2.8706 -0.0298 View CSV PDB
ID465A -2.3596 -0.0297 View CSV PDB
VD463A -0.8794 -0.0279 View CSV PDB
VK533A -0.5865 -0.0326 View CSV PDB
VK530A -0.4381 -0.0323 View CSV PDB
VK468A -0.4769 -0.0301 View CSV PDB
VR533A -0.2642 -0.0379 View CSV PDB
VR468A -0.4077 -0.0309 View CSV PDB
VR530A -0.236 -0.038 View CSV PDB
LD526A -0.4435 -0.029 View CSV PDB
VE463A -0.1955 -0.0278 View CSV PDB
LE526A -0.0105 -0.0297 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018