Project name: genF

Status: done

Started: 2026-03-24 09:30:19
Settings
Chain sequence(s) A: MTTATTAPRAPEGGVATGEPDLWCTYAAVRTLSWLGRGPSTAEPDRTAGYLTGRRNADGGYAWSRGMLSDAWATFYCTQALRDMGHPVPRAEGTAEWLRRTWSGDAYAMLPGQAPDVWATHFSARTAVEVCRVPPPDTGRLLSWLGALQCADGGLSWTPDDARRGRADVRACYYGVAAWRAVADAGTAGDPPWDVAALTAWLRDRQDPGAGFRFSADADVPCMWATYRAAGALRALGAAPRDPGGVRDWVLGLRGPSGAFVRWEGYDVEDVWASFCAVGTLRALGLPTEPVADAVTGRIAALRCPRGGYTYREPHAAAEALGTAAAVLTAAPGEPTAGLVRWLEGCQLPNEGGVMYMPGRGSEVRCTLWALAAGAFREDAAGRARVAGWLASLQNPDGGFGYWEGRGSDLVSTAAAVEIAALTGAGGVDAARAAAFIGSCRAGDGAPGACGNVPGAPPSLRAGLQAQRALLALRGRTDAQARAAVDALLARHRVRGGGFANEGDRVPDLLSAYEAVLAADRVGLPVDTGHLRAFLDRVHGPSGTAWTPLAPGSGGPLADCLGTLLARRLGDAGTALPALALS
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                                          (00:05:12)
[INFO]       Auto_mut: Residue number 549 from chain A and a score of 1.453 (leucine) selected for 
                       automated muatation                                                         (00:05:16)
[INFO]       Auto_mut: Residue number 1 from chain A and a score of 1.007 (methionine) selected    
                       for automated muatation                                                     (00:05:16)
[INFO]       Auto_mut: Residue number 550 from chain A and a score of 0.636 (alanine) selected for 
                       automated muatation                                                         (00:05:16)
[INFO]       Auto_mut: Residue number 2 from chain A and a score of 0.400 (threonine) selected for 
                       automated muatation                                                         (00:05:16)
[INFO]       Auto_mut: Residue number 547 from chain A and a score of 0.343 (threonine) selected   
                       for automated muatation                                                     (00:05:16)
[INFO]       Auto_mut: Residue number 328 from chain A and a score of 0.270 (leucine) selected for 
                       automated muatation                                                         (00:05:16)
[INFO]       Auto_mut: Mutating residue number 549 from chain A (leucine) into glutamic acid       (00:05:16)
[INFO]       Auto_mut: Mutating residue number 549 from chain A (leucine) into aspartic acid       (00:05:16)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into glutamic acid      (00:05:16)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into lysine             (00:07:50)
[INFO]       Auto_mut: Mutating residue number 549 from chain A (leucine) into arginine            (00:07:58)
[INFO]       Auto_mut: Mutating residue number 549 from chain A (leucine) into lysine              (00:08:03)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into aspartic acid      (00:10:50)
[INFO]       Auto_mut: Mutating residue number 550 from chain A (alanine) into glutamic acid       (00:11:29)
[INFO]       Auto_mut: Mutating residue number 550 from chain A (alanine) into aspartic acid       (00:11:43)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into arginine           (00:14:07)
[INFO]       Auto_mut: Mutating residue number 550 from chain A (alanine) into lysine              (00:14:48)
[INFO]       Auto_mut: Mutating residue number 550 from chain A (alanine) into arginine            (00:15:01)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (threonine) into glutamic acid       (00:17:52)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (threonine) into aspartic acid       (00:18:31)
[INFO]       Auto_mut: Mutating residue number 547 from chain A (threonine) into glutamic acid     (00:18:57)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (threonine) into lysine              (00:21:25)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (threonine) into arginine            (00:21:59)
[INFO]       Auto_mut: Mutating residue number 547 from chain A (threonine) into lysine            (00:22:32)
[INFO]       Auto_mut: Mutating residue number 547 from chain A (threonine) into aspartic acid     (00:25:06)
[INFO]       Auto_mut: Mutating residue number 328 from chain A (leucine) into glutamic acid       (00:25:36)
[INFO]       Auto_mut: Mutating residue number 328 from chain A (leucine) into aspartic acid       (00:26:31)
[INFO]       Auto_mut: Mutating residue number 547 from chain A (threonine) into arginine          (00:28:35)
[INFO]       Auto_mut: Mutating residue number 328 from chain A (leucine) into lysine              (00:29:13)
[INFO]       Auto_mut: Mutating residue number 328 from chain A (leucine) into arginine            (00:30:05)
[INFO]       Auto_mut: Effect of mutation residue number 549 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.7257 kcal/mol, Difference in average score from  
                       the base case: -0.0155                                                      (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 549 from chain A (leucine) into lysine:   
                       Energy difference: 0.8778 kcal/mol, Difference in average score from the    
                       base case: -0.0204                                                          (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 549 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.2038 kcal/mol, Difference in average score from  
                       the base case: -0.0158                                                      (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 549 from chain A (leucine) into arginine: 
                       Energy difference: 0.9740 kcal/mol, Difference in average score from the    
                       base case: -0.0175                                                          (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into glutamic 
                       acid: Energy difference: 0.1943 kcal/mol, Difference in average score from  
                       the base case: -0.0097                                                      (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into lysine:  
                       Energy difference: 0.1353 kcal/mol, Difference in average score from the    
                       base case: -0.0088                                                          (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into aspartic 
                       acid: Energy difference: 0.2538 kcal/mol, Difference in average score from  
                       the base case: -0.0095                                                      (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into          
                       arginine: Energy difference: 0.1038 kcal/mol, Difference in average score   
                       from the base case: -0.0053                                                 (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 550 from chain A (alanine) into glutamic  
                       acid: Energy difference: -0.5452 kcal/mol, Difference in average score from 
                       the base case: -0.0110                                                      (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 550 from chain A (alanine) into lysine:   
                       Energy difference: -0.9090 kcal/mol, Difference in average score from the   
                       base case: -0.0134                                                          (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 550 from chain A (alanine) into aspartic  
                       acid: Energy difference: -0.4502 kcal/mol, Difference in average score from 
                       the base case: -0.0119                                                      (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 550 from chain A (alanine) into arginine: 
                       Energy difference: -0.8858 kcal/mol, Difference in average score from the   
                       base case: -0.0123                                                          (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (threonine) into glutamic  
                       acid: Energy difference: -0.9525 kcal/mol, Difference in average score from 
                       the base case: -0.0075                                                      (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (threonine) into lysine:   
                       Energy difference: -0.3584 kcal/mol, Difference in average score from the   
                       base case: -0.0052                                                          (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (threonine) into aspartic  
                       acid: Energy difference: -0.2863 kcal/mol, Difference in average score from 
                       the base case: -0.0077                                                      (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (threonine) into arginine: 
                       Energy difference: -0.6208 kcal/mol, Difference in average score from the   
                       base case: -0.0034                                                          (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 547 from chain A (threonine) into         
                       glutamic acid: Energy difference: 1.4034 kcal/mol, Difference in average    
                       score from the base case: -0.0044                                           (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 547 from chain A (threonine) into lysine: 
                       Energy difference: 0.7537 kcal/mol, Difference in average score from the    
                       base case: -0.0051                                                          (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 547 from chain A (threonine) into         
                       aspartic acid: Energy difference: 1.8835 kcal/mol, Difference in average    
                       score from the base case: -0.0030                                           (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 547 from chain A (threonine) into         
                       arginine: Energy difference: 0.7820 kcal/mol, Difference in average score   
                       from the base case: -0.0059                                                 (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 328 from chain A (leucine) into glutamic  
                       acid: Energy difference: 3.7209 kcal/mol, Difference in average score from  
                       the base case: -0.0027                                                      (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 328 from chain A (leucine) into lysine:   
                       Energy difference: 1.6723 kcal/mol, Difference in average score from the    
                       base case: -0.0025                                                          (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 328 from chain A (leucine) into aspartic  
                       acid: Energy difference: 4.8828 kcal/mol, Difference in average score from  
                       the base case: -0.0031                                                      (00:33:49)
[INFO]       Auto_mut: Effect of mutation residue number 328 from chain A (leucine) into arginine: 
                       Energy difference: 2.5624 kcal/mol, Difference in average score from the    
                       base case: -0.0033                                                          (00:33:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:34:05)
Show buried residues
Minimal score value
-3.9787
Maximal score value
1.453
Average score
-0.7106
Total score value
-413.5692
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 1.0074
2 T A 0.4002
3 T A 0.2079
4 A A -0.0660
5 T A -0.3235
6 T A -0.6867
7 A A -1.1671
8 P A -1.5143
9 R A -2.8995
10 A A 0.0000
11 P A -2.0946
12 E A -2.5515
13 G A -1.5263
14 G A -0.8170
15 V A 0.0379
16 A A -0.4289
17 T A -0.6372
18 G A -1.4694
19 E A -1.9349
20 P A 0.0000
21 D A 0.0000
22 L A 0.0000
23 W A 0.0000
24 C A 0.0000
25 T A 0.0000
26 Y A 0.0000
27 A A 0.0000
28 A A 0.0000
29 V A 0.0000
30 R A -0.4955
31 T A 0.0000
32 L A 0.0000
33 S A -0.7049
34 W A -0.2914
35 L A -0.9720
36 G A -1.0057
37 R A -1.1968
38 G A 0.0000
39 P A -0.8470
40 S A -0.7001
41 T A 0.0000
42 A A -0.9168
43 E A -2.1945
44 P A -2.0245
45 D A -3.0320
46 R A -3.5019
47 T A 0.0000
48 A A 0.0000
49 G A -1.8510
50 Y A -1.3459
51 L A 0.0000
52 T A -0.6444
53 G A -0.9446
54 R A -1.0166
55 R A -1.0284
56 N A -1.0688
57 A A -0.8753
58 D A -1.7750
59 G A 0.0000
60 G A 0.0000
61 Y A 0.0000
62 A A 0.0000
63 W A -0.1947
64 S A -0.9357
65 R A -2.0646
66 G A -1.1751
67 M A -0.2702
68 L A 0.2526
69 S A 0.0000
70 D A 0.1000
71 A A 0.0000
72 W A 0.0000
73 A A 0.0000
74 T A 0.0000
75 F A 0.0000
76 Y A 0.0000
77 C A 0.0000
78 T A 0.0000
79 Q A 0.0000
80 A A 0.0000
81 L A 0.0000
82 R A -1.6826
83 D A -1.2784
84 M A 0.0000
85 G A -1.2216
86 H A -1.2575
87 P A -0.9352
88 V A -0.9081
89 P A -1.2627
90 R A -2.4847
91 A A -2.2483
92 E A -3.0756
93 G A -2.5944
94 T A 0.0000
95 A A 0.0000
96 E A -3.1752
97 W A 0.0000
98 L A 0.0000
99 R A -2.2086
100 R A -2.6203
101 T A 0.0000
102 W A -1.1922
103 S A -1.0232
104 G A -1.5558
105 D A -2.1256
106 A A 0.0000
107 Y A 0.0000
108 A A 0.0000
109 M A 0.0000
110 L A -0.2407
111 P A -0.9637
112 G A -0.9362
113 Q A 0.0000
114 A A -0.2740
115 P A -0.3101
116 D A 0.0000
117 V A 0.0000
118 W A 0.0000
119 A A 0.0000
120 T A 0.0000
121 H A 0.0000
122 F A 0.0000
123 S A 0.0000
124 A A 0.0000
125 R A -0.6827
126 T A 0.0000
127 A A 0.0000
128 V A 0.0000
129 E A -1.3499
130 V A -1.0373
131 C A -1.6646
132 R A -2.0474
133 V A -0.9127
134 P A -0.7214
135 P A 0.0000
136 P A -0.9946
137 D A -1.5760
138 T A -1.2551
139 G A -1.6171
140 R A -2.6902
141 L A 0.0000
142 L A -1.1331
143 S A -1.1034
144 W A 0.0000
145 L A 0.0000
146 G A -0.6466
147 A A -0.6671
148 L A 0.0000
149 Q A -1.1642
150 C A 0.0000
151 A A -1.6119
152 D A -1.9408
153 G A 0.0000
154 G A 0.0000
155 L A 0.0000
156 S A 0.0000
157 W A 0.0000
158 T A -1.2435
159 P A -1.8440
160 D A -3.2102
161 D A -2.6690
162 A A 0.0000
163 R A -3.6844
164 R A -3.6236
165 G A -2.8748
166 R A -2.3560
167 A A 0.0000
168 D A 0.0000
169 V A 0.0000
170 R A 0.0000
171 A A 0.0000
172 C A 0.0000
173 Y A -0.0306
174 Y A 0.0000
175 G A 0.0000
176 V A 0.0000
177 A A -0.2330
178 A A 0.0000
179 W A 0.0000
180 R A -1.5576
181 A A -1.2175
182 V A 0.0000
183 A A -1.7004
184 D A -2.2827
185 A A -1.5884
186 G A -1.2548
187 T A -0.9134
188 A A -1.2274
189 G A -1.7145
190 D A -2.0115
191 P A -1.2630
192 P A -0.8985
193 W A 0.0000
194 D A -1.4205
195 V A -0.2058
196 A A -0.0261
197 A A -0.6480
198 L A 0.0000
199 T A -0.5849
200 A A -0.9378
201 W A 0.0000
202 L A 0.0000
203 R A -2.2865
204 D A -2.5719
205 R A -1.7415
206 Q A 0.0000
207 D A -1.4536
208 P A -0.7703
209 G A -0.9757
210 A A 0.0000
211 G A 0.0000
212 F A 0.0000
213 R A -1.3985
214 F A 0.0000
215 S A -1.3609
216 A A -1.5786
217 D A -2.3580
218 A A -1.9263
219 D A -2.3325
220 V A -1.3209
221 P A -0.9088
222 C A 0.0000
223 M A 0.0000
224 W A 0.0711
225 A A 0.0000
226 T A 0.0000
227 Y A 0.0000
228 R A 0.0000
229 A A 0.0000
230 A A 0.0000
231 G A -0.7507
232 A A 0.0000
233 L A 0.0000
234 R A -2.0536
235 A A -1.1084
236 L A -0.6020
237 G A -0.9630
238 A A -0.9298
239 A A -1.3011
240 P A 0.0000
241 R A -3.0140
242 D A -2.5882
243 P A -1.7404
244 G A -1.6569
245 G A -1.8763
246 V A 0.0000
247 R A -1.9614
248 D A -2.3674
249 W A -1.4672
250 V A 0.0000
251 L A -1.2784
252 G A -1.6301
253 L A 0.0000
254 R A -2.0453
255 G A -1.3353
256 P A -0.9197
257 S A -0.9653
258 G A -1.1437
259 A A 0.0000
260 F A 0.0000
261 V A -1.0477
262 R A 0.0000
263 W A 0.0000
264 E A -2.4700
265 G A -2.1859
266 Y A 0.0000
267 D A -2.5151
268 V A 0.0000
269 E A 0.0000
270 D A 0.0000
271 V A 0.0000
272 W A 0.0000
273 A A 0.0000
274 S A 0.0000
275 F A 0.0000
276 C A 0.0000
277 A A 0.0000
278 V A 0.0000
279 G A 0.0000
280 T A 0.0000
281 L A 0.0000
282 R A -0.9928
283 A A -0.8793
284 L A -0.7313
285 G A -0.7457
286 L A -0.4470
287 P A -0.8738
288 T A -1.3817
289 E A -2.3164
290 P A -1.5472
291 V A 0.0000
292 A A 0.0000
293 D A -2.4082
294 A A -1.6062
295 V A 0.0000
296 T A -1.0297
297 G A -1.0926
298 R A -0.9582
299 I A 0.0000
300 A A -0.5737
301 A A -0.6384
302 L A 0.0000
303 R A -1.6307
304 C A 0.0000
305 P A -1.9019
306 R A -2.8595
307 G A 0.0000
308 G A 0.0000
309 Y A 0.0000
310 T A 0.0000
311 Y A 0.0000
312 R A -0.8739
313 E A -1.1718
314 P A -1.3781
315 H A -1.3143
316 A A -0.9829
317 A A 0.0000
318 A A 0.0000
319 E A 0.0000
320 A A 0.0000
321 L A 0.0000
322 G A 0.0000
323 T A 0.0000
324 A A 0.0000
325 A A 0.0000
326 A A 0.2166
327 V A 0.0753
328 L A 0.2703
329 T A -0.2583
330 A A -0.5644
331 A A -0.7708
332 P A -1.0423
333 G A -1.5321
334 E A -2.2069
335 P A -1.3026
336 T A -0.8800
337 A A -0.8668
338 G A -1.4308
339 L A -0.9423
340 V A 0.0000
341 R A -2.4008
342 W A 0.0000
343 L A 0.0000
344 E A -1.1207
345 G A -1.3527
346 C A 0.0000
347 Q A 0.0000
348 L A 0.0000
349 P A -0.5991
350 N A -1.1035
351 E A 0.0000
352 G A 0.0000
353 G A 0.0000
354 V A 0.0000
355 M A 0.0000
356 Y A 0.1329
357 M A 0.0000
358 P A 0.0000
359 G A 0.0000
360 R A 0.0000
361 G A 0.0000
362 S A 0.0000
363 E A 0.0000
364 V A 0.0000
365 R A 0.0000
366 C A 0.0000
367 T A 0.0000
368 L A 0.0000
369 W A 0.0000
370 A A 0.0000
371 L A 0.0000
372 A A -0.0285
373 A A 0.0000
374 G A -0.7245
375 A A 0.0000
376 F A 0.0000
377 R A -1.9691
378 E A -2.6189
379 D A -1.9346
380 A A -1.1098
381 A A -0.6553
382 G A 0.0000
383 R A -1.1863
384 A A -0.7293
385 R A -1.0269
386 V A 0.0000
387 A A -0.6578
388 G A -0.8554
389 W A 0.0000
390 L A 0.0000
391 A A -0.5090
392 S A -0.3171
393 L A 0.0000
394 Q A -0.7147
395 N A -1.0016
396 P A -1.2893
397 D A -1.5317
398 G A 0.0000
399 G A 0.0000
400 F A 0.0000
401 G A 0.0000
402 Y A 0.1439
403 W A 0.0764
404 E A -0.2038
405 G A -0.1775
406 R A 0.0000
407 G A 0.0000
408 S A 0.0000
409 D A 0.0000
410 L A 0.0000
411 V A 0.0000
412 S A 0.0000
413 T A 0.0000
414 A A 0.0000
415 A A 0.0000
416 A A 0.0000
417 V A 0.0000
418 E A -0.1012
419 I A 0.0000
420 A A -0.1000
421 A A -0.0380
422 L A 0.0800
423 T A -0.3673
424 G A -0.5079
425 A A -0.4697
426 G A -0.8030
427 G A -0.7041
428 V A -0.6214
429 D A -1.2662
430 A A -0.7194
431 A A -0.6618
432 R A -1.4654
433 A A 0.0000
434 A A -0.3828
435 A A -0.5326
436 F A 0.0000
437 I A 0.0000
438 G A -0.8278
439 S A -1.0236
440 C A 0.0000
441 R A -2.5731
442 A A -2.0565
443 G A -2.0705
444 D A -2.5193
445 G A -1.8447
446 A A -1.2246
447 P A -1.1824
448 G A -1.1562
449 A A 0.0000
450 C A 0.0000
451 G A 0.0000
452 N A -0.7257
453 V A 0.0000
454 P A -1.0259
455 G A -1.1565
456 A A -0.8080
457 P A -0.9625
458 P A -1.3416
459 S A -1.0313
460 L A 0.0000
461 R A -0.5793
462 A A 0.0000
463 G A 0.0000
464 L A 0.0000
465 Q A 0.0000
466 A A 0.0000
467 Q A 0.0000
468 R A 0.0000
469 A A 0.0000
470 L A -0.0549
471 L A 0.0000
472 A A -0.5748
473 L A -0.4255
474 R A -1.2961
475 G A -1.6025
476 R A -2.3930
477 T A -2.0520
478 D A -1.9917
479 A A -1.3296
480 Q A -2.0302
481 A A 0.0000
482 R A -2.3891
483 A A -1.6488
484 A A 0.0000
485 V A 0.0000
486 D A -2.0699
487 A A -1.2356
488 L A 0.0000
489 L A -1.1021
490 A A -1.2623
491 R A -1.8756
492 H A 0.0000
493 R A -3.0268
494 V A 0.0000
495 R A -2.9864
496 G A -1.7166
497 G A 0.0000
498 G A 0.0000
499 F A -1.6445
500 A A 0.0000
501 N A -1.9679
502 E A -3.0099
503 G A -2.7743
504 D A -3.9787
505 R A -3.4148
506 V A -1.1345
507 P A 0.0000
508 D A -0.1486
509 L A 0.0000
510 L A 0.0000
511 S A 0.0000
512 A A 0.0000
513 Y A 0.0000
514 E A 0.0000
515 A A 0.0000
516 V A 0.0000
517 L A 0.0000
518 A A 0.0000
519 A A 0.0000
520 D A -1.0900
521 R A -1.2552
522 V A 0.0000
523 G A -1.0701
524 L A -1.1148
525 P A -0.8438
526 V A -0.8498
527 D A -2.1319
528 T A -1.6504
529 G A -1.6905
530 H A -2.0020
531 L A 0.0000
532 R A -2.8330
533 A A -1.9077
534 F A 0.0000
535 L A -2.0419
536 D A -3.0210
537 R A -2.2289
538 V A 0.0000
539 H A -2.1818
540 G A -1.5047
541 P A -0.7549
542 S A -0.8658
543 G A -1.0057
544 T A 0.0000
545 A A 0.0000
546 W A 0.1752
547 T A 0.3433
548 P A 0.1044
549 L A 1.4530
550 A A 0.6356
551 P A -0.3062
552 G A -0.6313
553 S A -0.8367
554 G A -0.5202
555 G A -0.4297
556 P A -0.3169
557 L A -0.0859
558 A A 0.0000
559 D A -0.8390
560 C A 0.0000
561 L A 0.0000
562 G A 0.0000
563 T A -0.3933
564 L A 0.0000
565 L A 0.0000
566 A A -0.8541
567 R A -1.2470
568 R A 0.0000
569 L A -1.3586
570 G A -1.5095
571 D A -2.2401
572 A A -1.2424
573 G A -1.1948
574 T A -0.9905
575 A A -0.5502
576 L A 0.0000
577 P A -0.0198
578 A A -0.0768
579 L A 0.0000
580 A A 0.0000
581 L A 0.0000
582 S A -0.0249
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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
AK550A -0.909 -0.0134 View CSV PDB
AR550A -0.8858 -0.0123 View CSV PDB
TE2A -0.9525 -0.0075 View CSV PDB
TD2A -0.2863 -0.0077 View CSV PDB
MK1A 0.1353 -0.0088 View CSV PDB
MR1A 0.1038 -0.0053 View CSV PDB
LK549A 0.8778 -0.0204 View CSV PDB
LE549A 0.7257 -0.0155 View CSV PDB
TR547A 0.782 -0.0059 View CSV PDB
TK547A 0.7537 -0.0051 View CSV PDB
LK328A 1.6723 -0.0025 View CSV PDB
LR328A 2.5624 -0.0033 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018