Project name: RF_Diffus

Status: done

Started: 2026-03-05 17:22:29
Settings
Chain sequence(s) A: KAGITAVDLLDPEERA
B: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYRVHLTPVEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYHVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYRVHLTPVEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
input PDB
Selected Chain(s) A,B
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 all 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                                          (00:17:02)
[INFO]       Auto_mut: Residue number 304 from chain B and a score of 1.389 (valine) selected for  
                       automated muatation                                                         (00:17:09)
[INFO]       Auto_mut: Residue number 163 from chain B and a score of 1.282 (valine) selected for  
                       automated muatation                                                         (00:17:09)
[INFO]       Auto_mut: Residue number 17 from chain B and a score of 1.236 (valine) selected for   
                       automated muatation                                                         (00:17:09)
[INFO]       Auto_mut: Residue number 450 from chain B and a score of 1.227 (valine) selected for  
                       automated muatation                                                         (00:17:09)
[INFO]       Auto_mut: Residue number 158 from chain B and a score of 1.056 (valine) selected for  
                       automated muatation                                                         (00:17:09)
[INFO]       Auto_mut: Residue number 202 from chain B and a score of 1.036 (phenylalanine)        
                       selected for automated muatation                                            (00:17:09)
[INFO]       Auto_mut: Mutating residue number 304 from chain B (valine) into glutamic acid        (00:17:09)
[INFO]       Auto_mut: Mutating residue number 304 from chain B (valine) into aspartic acid        (00:17:09)
[INFO]       Auto_mut: Mutating residue number 163 from chain B (valine) into glutamic acid        (00:17:09)
[INFO]       Auto_mut: Mutating residue number 304 from chain B (valine) into arginine             (00:24:38)
[INFO]       Auto_mut: Mutating residue number 304 from chain B (valine) into lysine               (00:24:42)
[INFO]       Auto_mut: Mutating residue number 163 from chain B (valine) into lysine               (00:25:06)
[INFO]       Auto_mut: Mutating residue number 163 from chain B (valine) into aspartic acid        (00:32:59)
[INFO]       Auto_mut: Mutating residue number 17 from chain B (valine) into glutamic acid         (00:33:07)
[INFO]       Auto_mut: Mutating residue number 17 from chain B (valine) into aspartic acid         (00:33:15)
[INFO]       Auto_mut: Mutating residue number 163 from chain B (valine) into arginine             (00:40:47)
[INFO]       Auto_mut: Mutating residue number 17 from chain B (valine) into lysine                (00:40:57)
[INFO]       Auto_mut: Mutating residue number 17 from chain B (valine) into arginine              (00:40:59)
[INFO]       Auto_mut: Mutating residue number 450 from chain B (valine) into glutamic acid        (00:48:55)
[INFO]       Auto_mut: Mutating residue number 450 from chain B (valine) into aspartic acid        (00:48:55)
[INFO]       Auto_mut: Mutating residue number 158 from chain B (valine) into glutamic acid        (00:49:32)
[INFO]       Auto_mut: Mutating residue number 450 from chain B (valine) into arginine             (00:56:41)
[INFO]       Auto_mut: Mutating residue number 450 from chain B (valine) into lysine               (00:56:51)
[INFO]       Auto_mut: Mutating residue number 158 from chain B (valine) into lysine               (00:57:48)
[INFO]       Auto_mut: Mutating residue number 158 from chain B (valine) into aspartic acid        (01:04:48)
[INFO]       Auto_mut: Mutating residue number 202 from chain B (phenylalanine) into glutamic acid 
                       Mutating residue number 202 from chain B (phenylalanine) into glutamic acid (01:05:05)
[INFO]       Auto_mut: Mutating residue number 202 from chain B (phenylalanine) into aspartic acid 
                       Mutating residue number 202 from chain B (phenylalanine) into aspartic acid (01:05:43)
[INFO]       Auto_mut: Mutating residue number 202 from chain B (phenylalanine) into lysine        (01:12:52)
[INFO]       Auto_mut: Mutating residue number 158 from chain B (valine) into arginine             (01:12:52)
[INFO]       Auto_mut: Mutating residue number 202 from chain B (phenylalanine) into arginine      (01:13:24)
[INFO]       Auto_mut: Effect of mutation residue number 304 from chain B (valine) into glutamic   
                       acid: Energy difference: -1.4858 kcal/mol, Difference in average score from 
                       the base case: -0.0096                                                      (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 304 from chain B (valine) into lysine:    
                       Energy difference: -0.5835 kcal/mol, Difference in average score from the   
                       base case: -0.0064                                                          (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 304 from chain B (valine) into aspartic   
                       acid: Energy difference: -0.6760 kcal/mol, Difference in average score from 
                       the base case: -0.0081                                                      (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 304 from chain B (valine) into arginine:  
                       Energy difference: -0.8723 kcal/mol, Difference in average score from the   
                       base case: -0.0053                                                          (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 163 from chain B (valine) into glutamic   
                       acid: Energy difference: -0.9107 kcal/mol, Difference in average score from 
                       the base case: -0.0088                                                      (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 163 from chain B (valine) into lysine:    
                       Energy difference: -0.4553 kcal/mol, Difference in average score from the   
                       base case: -0.0072                                                          (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 163 from chain B (valine) into aspartic   
                       acid: Energy difference: -0.6682 kcal/mol, Difference in average score from 
                       the base case: -0.0087                                                      (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 163 from chain B (valine) into arginine:  
                       Energy difference: -0.6166 kcal/mol, Difference in average score from the   
                       base case: -0.0083                                                          (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 17 from chain B (valine) into glutamic    
                       acid: Energy difference: -0.3319 kcal/mol, Difference in average score from 
                       the base case: -0.0035                                                      (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 17 from chain B (valine) into lysine:     
                       Energy difference: -0.3164 kcal/mol, Difference in average score from the   
                       base case: -0.0044                                                          (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 17 from chain B (valine) into aspartic    
                       acid: Energy difference: -0.5259 kcal/mol, Difference in average score from 
                       the base case: -0.0045                                                      (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 17 from chain B (valine) into arginine:   
                       Energy difference: -0.6587 kcal/mol, Difference in average score from the   
                       base case: -0.0045                                                          (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 450 from chain B (valine) into glutamic   
                       acid: Energy difference: -0.7962 kcal/mol, Difference in average score from 
                       the base case: -0.0088                                                      (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 450 from chain B (valine) into lysine:    
                       Energy difference: -0.3368 kcal/mol, Difference in average score from the   
                       base case: -0.0079                                                          (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 450 from chain B (valine) into aspartic   
                       acid: Energy difference: -0.0163 kcal/mol, Difference in average score from 
                       the base case: -0.0091                                                      (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 450 from chain B (valine) into arginine:  
                       Energy difference: -0.1209 kcal/mol, Difference in average score from the   
                       base case: -0.0083                                                          (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 158 from chain B (valine) into glutamic   
                       acid: Energy difference: 0.2483 kcal/mol, Difference in average score from  
                       the base case: -0.0020                                                      (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 158 from chain B (valine) into lysine:    
                       Energy difference: 0.4640 kcal/mol, Difference in average score from the    
                       base case: -0.0038                                                          (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 158 from chain B (valine) into aspartic   
                       acid: Energy difference: 1.0624 kcal/mol, Difference in average score from  
                       the base case: -0.0031                                                      (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 158 from chain B (valine) into arginine:  
                       Energy difference: 0.3091 kcal/mol, Difference in average score from the    
                       base case: -0.0032                                                          (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 202 from chain B (phenylalanine) into     
                       glutamic acid: Energy difference: 0.5496 kcal/mol, Difference in average    
                       score from the base case: -0.0095                                           (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 202 from chain B (phenylalanine) into     
                       lysine: Energy difference: 0.0540 kcal/mol, Difference in average score     
                       from the base case: -0.0100                                                 (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 202 from chain B (phenylalanine) into     
                       aspartic acid: Energy difference: 0.9724 kcal/mol, Difference in average    
                       score from the base case: -0.0081                                           (01:21:24)
[INFO]       Auto_mut: Effect of mutation residue number 202 from chain B (phenylalanine) into     
                       arginine: Energy difference: -0.0557 kcal/mol, Difference in average score  
                       from the base case: -0.0061                                                 (01:21:24)
[INFO]       Main:     Simulation completed successfully.                                          (01:21:36)
Show buried residues
Minimal score value
-3.6639
Maximal score value
1.3894
Average score
-0.8179
Total score value
-482.5729
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 K A -2.7434
2 A A -1.7057
3 G A -1.3888
4 I A 0.0000
5 T A -1.5168
6 A A -0.8266
7 V A 0.0000
8 D A -1.8601
9 L A -0.6396
10 L A 0.0000
11 D A -2.9608
12 P A -2.8155
13 E A -3.4648
14 E A -3.1976
15 R A -2.6983
16 A A -2.2918
17 V B 1.2361
18 L B 0.4346
19 S B 0.1419
20 P B -0.4172
21 A B -0.4042
22 D B -0.4085
23 K B -0.7006
24 T B -0.6897
25 N B -0.6887
26 V B 0.0000
27 K B -1.3515
28 A B -1.1780
29 A B 0.0000
30 W B -1.0508
31 G B -1.4992
32 K B -2.0916
33 V B 0.0000
34 G B -1.1814
35 A B -1.1082
36 H B -1.9072
37 A B -1.7287
38 G B -2.5008
39 E B -2.6904
40 Y B -1.4086
41 G B 0.0000
42 A B 0.0000
43 E B -1.3076
44 A B 0.0000
45 L B 0.0000
46 E B -0.6074
47 R B 0.0000
48 M B 0.0000
49 F B 0.0000
50 L B 0.5828
51 S B 0.0000
52 F B 0.2194
53 P B -0.1960
54 T B -0.3502
55 T B 0.0000
56 K B -0.2476
57 T B -0.5290
58 Y B 0.1831
59 F B -0.0384
60 P B -1.0413
61 H B -0.9251
62 F B -0.8419
63 D B -1.9348
64 L B -1.2977
65 S B -1.1119
66 H B -1.7841
67 G B -1.7342
68 S B -1.6070
69 A B -1.5007
70 Q B -1.9410
71 V B 0.0000
72 K B -3.1856
73 G B -2.4137
74 H B -2.1813
75 G B 0.0000
76 K B -3.2845
77 K B -2.6777
78 V B -1.1453
79 A B 0.0000
80 D B -1.7241
81 A B -0.9578
82 L B -0.5587
83 T B -0.9876
84 N B -1.1294
85 A B 0.0000
86 V B -0.8940
87 A B -1.0001
88 H B -1.9472
89 V B -1.6264
90 D B -2.6231
91 D B -3.0328
92 M B 0.0000
93 P B -1.5951
94 N B -2.1935
95 A B -1.5122
96 L B 0.0000
97 S B -0.6468
98 A B -0.3468
99 L B 0.0242
100 S B 0.0000
101 D B -1.7683
102 L B -0.8240
103 H B -1.0991
104 A B 0.0000
105 H B -2.2918
106 K B -2.3612
107 L B -1.0099
108 R B -1.4109
109 V B -0.1599
110 D B -0.0006
111 P B 0.0599
112 V B 0.4308
113 N B 0.0642
114 F B -0.1660
115 K B -1.1510
116 L B -0.1936
117 L B 0.0579
118 S B -0.3992
119 H B -0.3963
120 C B 0.0000
121 L B 0.0473
122 L B 0.0000
123 V B 0.0000
124 T B 0.0000
125 L B 0.0000
126 A B 0.0000
127 A B 0.0000
128 H B -1.2410
129 L B -0.9774
130 P B -0.9898
131 A B -0.9271
132 E B -1.8598
133 F B 0.0000
134 T B -0.7104
135 P B -0.5890
136 A B -0.3296
137 V B -0.3292
138 H B 0.0000
139 A B 0.0000
140 S B 0.0000
141 L B 0.0000
142 D B -0.5056
143 K B 0.0000
144 F B 0.0000
145 L B 0.0000
146 A B -0.3260
147 S B 0.3320
148 V B 0.0000
149 S B -0.0753
150 T B -0.0760
151 V B 0.1980
152 L B 0.0000
153 T B -0.5680
154 S B -0.6759
155 K B -1.9918
156 Y B 0.0000
157 R B -0.9556
158 V B 1.0559
159 H B -0.1573
160 L B -0.1604
161 T B 0.1959
162 P B 0.1653
163 V B 1.2822
164 E B 0.0661
165 K B -0.2746
166 S B -0.0070
167 A B 0.1384
168 V B 0.0000
169 T B -0.4817
170 A B -0.4721
171 L B -0.4095
172 W B -0.6814
173 G B -1.3344
174 K B -2.1114
175 V B 0.0000
176 N B -2.6141
177 V B -2.2734
178 D B -3.5581
179 E B -3.6639
180 V B 0.0000
181 G B 0.0000
182 G B -2.6303
183 E B -2.1104
184 A B 0.0000
185 L B 0.0000
186 G B 0.0000
187 R B -0.4531
188 L B 0.0000
189 L B 0.0000
190 V B 0.0000
191 V B 0.0000
192 Y B 0.1643
193 P B -0.3897
194 W B -0.7859
195 T B -0.7845
196 Q B -1.2856
197 R B -2.0256
198 F B -0.4577
199 F B 0.0000
200 E B -1.0302
201 S B -0.1588
202 F B 1.0357
203 G B -0.2080
204 D B -0.8869
205 L B 0.5326
206 S B -0.1377
207 T B -0.4460
208 P B -0.8436
209 D B -1.6836
210 A B -0.5914
211 V B 0.0000
212 M B -1.1608
213 G B -1.6057
214 N B -0.8827
215 P B -0.9797
216 K B -1.2630
217 V B 0.0000
218 K B -3.1417
219 A B -1.9077
220 H B -1.9103
221 G B 0.0000
222 K B -3.3059
223 K B -1.8755
224 V B -0.8237
225 L B 0.0000
226 G B -0.8092
227 A B 0.0000
228 F B 0.1367
229 S B -0.0782
230 D B -0.4330
231 G B 0.0000
232 L B -0.4141
233 A B -0.6671
234 H B -1.6472
235 L B -1.5454
236 D B -2.6812
237 N B -2.7901
238 L B 0.0000
239 K B -2.9950
240 G B -2.2351
241 T B 0.0000
242 F B 0.0000
243 A B -1.4252
244 T B -1.5633
245 L B 0.0000
246 S B 0.0000
247 E B -2.4411
248 L B 0.0000
249 H B -1.6234
250 C B -2.3549
251 D B -3.2481
252 K B -2.7256
253 L B -1.3726
254 H B -1.8627
255 V B -1.0499
256 D B -1.2259
257 P B -1.7494
258 E B -2.5113
259 N B -1.8557
260 F B -1.4956
261 R B -2.3662
262 L B -0.9596
263 L B -0.4179
264 G B 0.0000
265 N B -0.5792
266 V B 0.0000
267 L B 0.0000
268 V B 0.0000
269 C B 0.0000
270 V B 0.0000
271 L B 0.0000
272 A B 0.0000
273 H B -1.2187
274 H B -1.2923
275 F B -1.3464
276 G B -1.7014
277 K B -2.7383
278 E B -2.6913
279 F B 0.0000
280 T B -0.9574
281 P B -0.2780
282 P B 0.0438
283 V B -0.0038
284 Q B 0.0000
285 A B 0.0000
286 A B 0.0000
287 Y B 0.0000
288 Q B -0.1891
289 K B -0.0725
290 V B 0.0000
291 V B -0.2407
292 A B -0.4508
293 G B -0.4318
294 V B 0.0000
295 A B -1.3178
296 N B -1.8941
297 A B 0.0000
298 L B -0.9367
299 A B -1.5791
300 H B -1.8776
301 K B -2.1327
302 Y B -1.5141
303 H B -1.3877
304 V B 1.3894
305 L B 0.5019
306 S B 0.1269
307 P B -0.4537
308 A B -0.4136
309 D B 0.0000
310 K B -1.1694
311 T B -0.8598
312 N B -0.7424
313 V B 0.0000
314 K B -1.8035
315 A B -1.1686
316 A B -1.2163
317 W B -1.2332
318 G B -1.6877
319 K B -2.1779
320 V B 0.0000
321 G B -1.3279
322 A B -1.0356
323 H B -1.7626
324 A B -1.4957
325 G B -2.3016
326 E B -2.3761
327 Y B -1.2750
328 G B 0.0000
329 A B 0.0000
330 E B -1.2357
331 A B 0.0000
332 L B 0.0000
333 E B -0.8105
334 R B 0.0000
335 M B 0.0000
336 F B 0.0000
337 L B 0.3512
338 S B -0.0039
339 F B -0.1228
340 P B -0.5915
341 T B 0.0000
342 T B 0.0000
343 K B -1.4471
344 T B -0.9792
345 Y B -0.1917
346 F B 0.0939
347 P B -0.4434
348 H B -0.5953
349 F B 0.0666
350 D B -1.5198
351 L B -0.9321
352 S B -1.0856
353 H B -1.5335
354 G B -1.2961
355 S B -1.3130
356 A B -1.1060
357 Q B -1.5152
358 V B -1.8699
359 K B -2.6697
360 G B -2.1749
361 H B -2.0002
362 G B 0.0000
363 K B -3.0127
364 K B -2.6476
365 V B -1.5690
366 A B 0.0000
367 D B -1.9222
368 A B -1.2255
369 L B 0.0000
370 T B -1.2885
371 N B -1.6675
372 A B 0.0000
373 V B 0.0000
374 A B -1.5766
375 H B -2.5494
376 V B -1.9828
377 D B -2.8911
378 D B -3.3471
379 M B 0.0000
380 P B -1.6699
381 N B -2.2251
382 A B -1.9146
383 L B 0.0000
384 S B -0.7509
385 A B -0.1432
386 L B 0.4196
387 S B 0.0000
388 D B -1.0617
389 L B -0.6403
390 H B -0.8349
391 A B -1.3690
392 H B -1.9604
393 K B -2.1802
394 L B -0.8610
395 R B -1.2330
396 V B -0.1491
397 D B -0.7518
398 P B -0.0937
399 V B 0.5485
400 N B 0.0000
401 F B 0.2617
402 K B -0.2380
403 L B 0.3501
404 L B 0.3289
405 S B 0.0000
406 H B 0.0000
407 C B 0.0000
408 L B 0.0000
409 L B 0.0000
410 V B 0.0000
411 T B 0.0000
412 L B 0.0000
413 A B 0.0000
414 A B 0.0000
415 H B -0.5949
416 L B -0.4754
417 P B -0.5426
418 A B -0.3733
419 E B -0.7975
420 F B -0.0835
421 T B -0.1992
422 P B 0.0000
423 A B -0.1766
424 V B 0.2237
425 H B 0.0000
426 A B 0.0000
427 S B 0.0000
428 L B 0.0000
429 D B -0.3964
430 K B -0.0827
431 F B 0.0000
432 L B -0.0386
433 A B 0.0265
434 S B 0.4596
435 V B 0.0000
436 S B -0.0309
437 T B 0.0153
438 V B -0.0391
439 L B 0.0000
440 T B -0.6530
441 S B -0.5756
442 K B -1.5025
443 Y B -0.9566
444 R B -0.3437
445 V B 1.0126
446 H B -0.4396
447 L B -0.1918
448 T B 0.1335
449 P B 0.0883
450 V B 1.2267
451 E B 0.0776
452 K B -0.4077
453 S B -0.0310
454 A B 0.1193
455 V B 0.0000
456 T B -0.3310
457 A B -0.4559
458 L B -0.3994
459 W B -0.5990
460 G B -1.1934
461 K B -1.9090
462 V B 0.0000
463 N B -2.0996
464 V B -2.0239
465 D B -3.4898
466 E B -3.6166
467 V B 0.0000
468 G B 0.0000
469 G B -2.8226
470 E B -2.8380
471 A B 0.0000
472 L B 0.0000
473 G B 0.0000
474 R B 0.0000
475 L B 0.0000
476 L B 0.0000
477 V B 0.0000
478 V B 0.0000
479 Y B 0.0000
480 P B -0.5394
481 W B -0.8058
482 T B -0.4807
483 Q B -1.1113
484 R B -2.1104
485 F B -0.3405
486 F B -0.8962
487 E B -2.2450
488 S B -1.1047
489 F B -0.6963
490 G B -1.5874
491 D B -2.2744
492 L B -1.4063
493 S B -1.1897
494 T B -0.9892
495 P B -0.9921
496 D B -1.8654
497 A B -1.4632
498 V B 0.0000
499 M B -1.0421
500 G B -1.5345
501 N B 0.0000
502 P B -1.2825
503 K B -1.9543
504 V B 0.0000
505 K B -2.8356
506 A B -1.9027
507 H B -1.3996
508 G B 0.0000
509 K B -3.0178
510 K B -2.2400
511 V B -0.9229
512 L B 0.0000
513 G B -1.5233
514 A B -1.0209
515 F B 0.0000
516 S B -1.0014
517 D B -1.8374
518 G B 0.0000
519 L B 0.0000
520 A B -1.3222
521 H B -2.1329
522 L B -2.0221
523 D B -2.8965
524 N B -2.7945
525 L B 0.0000
526 K B -2.5860
527 G B -1.8777
528 T B -1.5545
529 F B 0.0000
530 A B -1.0487
531 T B -0.5586
532 L B -0.2529
533 S B 0.0000
534 E B -2.4378
535 L B -1.2850
536 H B -1.3175
537 C B -2.1648
538 D B -3.1063
539 K B -2.6888
540 L B -1.1358
541 H B -1.4306
542 V B 0.0000
543 D B -0.5460
544 P B 0.0000
545 E B -1.3940
546 N B -1.0652
547 F B -0.9839
548 R B -1.8561
549 L B -0.7784
550 L B -0.4226
551 G B -0.6968
552 N B -0.6548
553 V B 0.0000
554 L B 0.0000
555 V B 0.0000
556 C B 0.0000
557 V B 0.0000
558 L B 0.0000
559 A B 0.0000
560 H B -0.5520
561 H B -1.1321
562 F B -1.0673
563 G B -1.4669
564 K B -2.6133
565 E B -2.5418
566 F B 0.0000
567 T B -0.9583
568 P B 0.0000
569 P B 0.0881
570 V B -0.0541
571 Q B 0.0000
572 A B 0.0000
573 A B 0.0000
574 Y B 0.0000
575 Q B -0.4712
576 K B -0.3783
577 V B 0.0000
578 V B 0.0000
579 A B -0.5306
580 G B -0.4425
581 V B -0.6342
582 A B 0.0000
583 N B -1.4011
584 A B 0.0000
585 L B -1.0133
586 A B -1.6442
587 H B -2.1455
588 K B -2.1819
589 Y B 0.0000
590 H B -1.5799
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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
VE304B -1.4858 -0.0096 View CSV PDB
VE163B -0.9107 -0.0088 View CSV PDB
VE450B -0.7962 -0.0088 View CSV PDB
VD163B -0.6682 -0.0087 View CSV PDB
VD304B -0.676 -0.0081 View CSV PDB
VK450B -0.3368 -0.0079 View CSV PDB
VR17B -0.6587 -0.0045 View CSV PDB
VD17B -0.5259 -0.0045 View CSV PDB
FR202B -0.0557 -0.0061 View CSV PDB
FK202B 0.054 -0.01 View CSV PDB
VR158B 0.3091 -0.0032 View CSV PDB
VK158B 0.464 -0.0038 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018