Project name: ChemoSG7r9

Status: done

Started: 2026-05-30 15:47:49
Settings
Chain sequence(s) A: MVSTGEELFTGVVPFKFQLKGTINGKSFTVEGEGEGNSHYGRHTGKYVCTSGKLPMSWAALGTSFGYGMKYYTRYPSGLKNWFHEVMPEGFTYDRHIQYKGDGSIHAKHQHFMKNGTYHNIVEFTGQDFKENSPVLTGDMDVSLPNEVQHIPIDDGVEATVTLQYPLLSDESKCVEAYQNTIIKPLHNQPAPDVPFHWIRKQYTQSKDDTEERDHIIQLEFLRAHLITLGMDELYKIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYVWRNIIPHVAPTHRCIAPDLIGMGKSDKPDLGYFFDDHVRFMDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIAFMEFIRPIPTWDEWPEFARETFQAFRTTDVGRKLIIDQNVFIEGTLPTGVVRPLTEVEMDHYREPFLNPVDREPLWRFPNELPIAGEPANIVALVEEYMDWLHQSPVPKLLFWGTPGVLIPPAEAARLAKSLPNCKAVDIGPGENLLQEDNPDLIGSEIARWL
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]                                                (00:00:01)
[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 A 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                                          (00:06:09)
[INFO]       Auto_mut: Residue number 227 from chain A and a score of 2.501 (isoleucine) selected  
                       for automated muatation                                                     (00:06:13)
[INFO]       Auto_mut: Residue number 2 from chain A and a score of 2.057 (valine) selected for    
                       automated muatation                                                         (00:06:13)
[INFO]       Auto_mut: Residue number 1 from chain A and a score of 1.887 (methionine) selected    
                       for automated muatation                                                     (00:06:13)
[INFO]       Auto_mut: Residue number 226 from chain A and a score of 1.752 (leucine) selected for 
                       automated muatation                                                         (00:06:13)
[INFO]       Auto_mut: Residue number 229 from chain A and a score of 1.479 (leucine) selected for 
                       automated muatation                                                         (00:06:13)
[INFO]       Auto_mut: Residue number 228 from chain A and a score of 1.121 (threonine) selected   
                       for automated muatation                                                     (00:06:13)
[INFO]       Auto_mut: Mutating residue number 227 from chain A (isoleucine) into glutamic acid    (00:06:13)
[INFO]       Auto_mut: Mutating residue number 227 from chain A (isoleucine) into aspartic acid    (00:06:13)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (valine) into glutamic acid          (00:06:13)
[INFO]       Auto_mut: Mutating residue number 227 from chain A (isoleucine) into arginine         (00:09:29)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (valine) into lysine                 (00:09:30)
[INFO]       Auto_mut: Mutating residue number 227 from chain A (isoleucine) into lysine           (00:09:32)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (valine) into aspartic acid          (00:12:56)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into glutamic acid      (00:13:05)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into aspartic acid      (00:13:06)
[INFO]       Auto_mut: Mutating residue number 2 from chain A (valine) into arginine               (00:16:14)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into lysine             (00:16:25)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into arginine           (00:16:29)
[INFO]       Auto_mut: Mutating residue number 226 from chain A (leucine) into glutamic acid       (00:20:20)
[INFO]       Auto_mut: Mutating residue number 226 from chain A (leucine) into aspartic acid       (00:20:26)
[INFO]       Auto_mut: Mutating residue number 229 from chain A (leucine) into glutamic acid       (00:20:29)
[INFO]       Auto_mut: Mutating residue number 226 from chain A (leucine) into arginine            (00:25:01)
[INFO]       Auto_mut: Mutating residue number 229 from chain A (leucine) into lysine              (00:25:22)
[INFO]       Auto_mut: Mutating residue number 226 from chain A (leucine) into lysine              (00:25:38)
[INFO]       Auto_mut: Mutating residue number 229 from chain A (leucine) into aspartic acid       (00:31:01)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (threonine) into glutamic acid     (00:31:52)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (threonine) into aspartic acid     (00:32:24)
[INFO]       Auto_mut: Mutating residue number 229 from chain A (leucine) into arginine            (00:37:12)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (threonine) into lysine            (00:38:32)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (threonine) into arginine          (00:38:47)
[INFO]       Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: -0.3011 kcal/mol, Difference in average   
                       score from the base case: -0.0236                                           (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into        
                       lysine: Energy difference: -0.2663 kcal/mol, Difference in average score    
                       from the base case: -0.0209                                                 (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: -0.3860 kcal/mol, Difference in average   
                       score from the base case: -0.0207                                           (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into        
                       arginine: Energy difference: -0.1177 kcal/mol, Difference in average score  
                       from the base case: -0.0200                                                 (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (valine) into glutamic     
                       acid: Energy difference: -0.5257 kcal/mol, Difference in average score from 
                       the base case: -0.0170                                                      (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (valine) into lysine:      
                       Energy difference: -0.2621 kcal/mol, Difference in average score from the   
                       base case: -0.0157                                                          (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (valine) into aspartic     
                       acid: Energy difference: 0.0566 kcal/mol, Difference in average score from  
                       the base case: -0.0167                                                      (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 2 from chain A (valine) into arginine:    
                       Energy difference: -0.1026 kcal/mol, Difference in average score from the   
                       base case: -0.0117                                                          (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into glutamic 
                       acid: Energy difference: -0.4065 kcal/mol, Difference in average score from 
                       the base case: -0.0097                                                      (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into lysine:  
                       Energy difference: -0.1095 kcal/mol, Difference in average score from the   
                       base case: -0.0102                                                          (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into aspartic 
                       acid: Energy difference: -0.2797 kcal/mol, Difference in average score from 
                       the base case: -0.0096                                                      (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into          
                       arginine: Energy difference: -0.5935 kcal/mol, Difference in average score  
                       from the base case: -0.0106                                                 (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into glutamic  
                       acid: Energy difference: 1.1372 kcal/mol, Difference in average score from  
                       the base case: -0.0092                                                      (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into lysine:   
                       Energy difference: 0.9879 kcal/mol, Difference in average score from the    
                       base case: -0.0074                                                          (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.4884 kcal/mol, Difference in average score from  
                       the base case: -0.0122                                                      (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into arginine: 
                       Energy difference: 1.1390 kcal/mol, Difference in average score from the    
                       base case: -0.0125                                                          (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into glutamic  
                       acid: Energy difference: -0.2551 kcal/mol, Difference in average score from 
                       the base case: -0.0199                                                      (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into lysine:   
                       Energy difference: -0.4546 kcal/mol, Difference in average score from the   
                       base case: -0.0198                                                          (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into aspartic  
                       acid: Energy difference: -0.1730 kcal/mol, Difference in average score from 
                       the base case: -0.0174                                                      (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into arginine: 
                       Energy difference: -0.5706 kcal/mol, Difference in average score from the   
                       base case: -0.0229                                                          (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into         
                       glutamic acid: Energy difference: -0.9514 kcal/mol, Difference in average   
                       score from the base case: -0.0016                                           (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into lysine: 
                       Energy difference: -0.4318 kcal/mol, Difference in average score from the   
                       base case: -0.0070                                                          (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into         
                       aspartic acid: Energy difference: -0.5710 kcal/mol, Difference in average   
                       score from the base case: -0.0033                                           (00:45:07)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into         
                       arginine: Energy difference: -0.5140 kcal/mol, Difference in average score  
                       from the base case: -0.0087                                                 (00:45:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:45:25)
Show buried residues
Minimal score value
-3.6999
Maximal score value
2.5009
Average score
-0.7049
Total score value
-368.66
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 1.8867
2 V A 2.0572
3 S A 0.3003
4 T A -0.6598
5 G A 0.0000
6 E A -3.0890
7 E A -2.5234
8 L A -1.0542
9 F A 0.0000
10 T A -0.8875
11 G A -0.0419
12 V A 0.6339
13 V A 0.0000
14 P A -1.1086
15 F A 0.0000
16 K A -2.0931
17 F A 0.0000
18 Q A -2.0603
19 L A 0.0000
20 K A -2.6134
21 G A 0.0000
22 T A -1.6770
23 I A 0.0000
24 N A -2.3985
25 G A -1.8913
26 K A -2.2003
27 S A -1.5230
28 F A 0.0000
29 T A -1.6140
30 V A 0.0000
31 E A -2.2157
32 G A 0.0000
33 E A -2.9398
34 G A -2.0369
35 E A -1.8493
36 G A 0.0000
37 N A 0.0000
38 S A 0.0000
39 H A -0.6629
40 Y A 0.0367
41 G A 0.0000
42 R A 0.0000
43 H A 0.0000
44 T A -0.9578
45 G A 0.0000
46 K A -1.5778
47 Y A 0.0000
48 V A 0.0000
49 C A 0.0000
50 T A -1.2541
51 S A -1.3225
52 G A -1.6560
53 K A -2.2097
54 L A -1.2187
55 P A -0.8973
56 M A 0.0000
57 S A 0.0000
58 W A 0.0786
59 A A 0.0000
60 A A 0.0000
61 L A 0.0000
62 G A 0.0000
63 T A 0.0000
64 S A 0.0000
65 F A 0.0000
66 G A 0.0000
67 Y A 0.0000
68 G A 0.0000
69 M A 0.0000
70 K A 0.0000
71 Y A 0.0000
72 Y A 0.0000
73 T A 0.0000
74 R A -0.4439
75 Y A -0.5310
76 P A -0.4451
77 S A -0.6066
78 G A -0.9432
79 L A 0.0000
80 K A -2.3550
81 N A -1.6416
82 W A 0.0000
83 F A 0.0000
84 H A 0.0000
85 E A -2.0760
86 V A 0.0000
87 M A 0.0000
88 P A -0.8797
89 E A -1.7615
90 G A 0.0000
91 F A 0.0000
92 T A -0.6697
93 Y A 0.0000
94 D A -1.5862
95 R A 0.0000
96 H A -1.4874
97 I A 0.0000
98 Q A -1.3245
99 Y A 0.0000
100 K A -2.1263
101 G A -1.7814
102 D A -2.4855
103 G A 0.0000
104 S A -1.5616
105 I A 0.0000
106 H A -1.7400
107 A A 0.0000
108 K A -2.0169
109 H A 0.0000
110 Q A -1.0560
111 H A 0.0000
112 F A -0.5499
113 M A 0.0000
114 K A -2.5975
115 N A -2.3301
116 G A -1.6088
117 T A -1.7405
118 Y A 0.0000
119 H A -1.0473
120 N A 0.0000
121 I A -0.9399
122 V A 0.0000
123 E A -2.9098
124 F A 0.0000
125 T A -1.6237
126 G A 0.0000
127 Q A -2.6282
128 D A -3.1423
129 F A 0.0000
130 K A -3.6999
131 E A -3.5003
132 N A -2.7696
133 S A 0.0000
134 P A -0.8031
135 V A 0.0000
136 L A -0.8854
137 T A -0.9867
138 G A -0.2572
139 D A -0.3107
140 M A 0.0000
141 D A -0.1638
142 V A 0.0000
143 S A 0.0000
144 L A 0.3512
145 P A -0.4381
146 N A -1.1191
147 E A -2.1292
148 V A 0.0000
149 Q A -0.7858
150 H A 0.0000
151 I A 0.8060
152 P A -0.4682
153 I A -0.8392
154 D A -2.6494
155 D A -3.0585
156 G A 0.0000
157 V A 0.0000
158 E A -0.2964
159 A A 0.0000
160 T A -0.4518
161 V A 0.0000
162 T A -0.3083
163 L A 0.0000
164 Q A -0.6136
165 Y A 0.0000
166 P A 0.0000
167 L A -0.6786
168 L A 0.3542
169 S A -0.5346
170 D A -1.6069
171 E A -2.2969
172 S A -1.8403
173 K A -2.2941
174 C A -0.9931
175 V A -0.9388
176 E A -1.2857
177 A A 0.0000
178 Y A 0.0502
179 Q A 0.0000
180 N A -0.8495
181 T A 0.0000
182 I A -0.4162
183 I A 0.0000
184 K A -1.6626
185 P A -1.5585
186 L A -1.2808
187 H A -1.9231
188 N A -2.2953
189 Q A -1.6870
190 P A -1.7621
191 A A -1.8619
192 P A -1.8057
193 D A -2.5041
194 V A 0.0000
195 P A -0.0811
196 F A 0.9449
197 H A 0.0000
198 W A -0.0271
199 I A 0.0000
200 R A -1.1929
201 K A 0.0000
202 Q A 0.0000
203 Y A 0.0000
204 T A 0.0000
205 Q A -0.5346
206 S A -1.2755
207 K A -2.5695
208 D A -2.5475
209 D A -2.8427
210 T A -2.0074
211 E A -2.5681
212 E A -3.2683
213 R A -2.9731
214 D A -2.2517
215 H A 0.0000
216 I A 0.0000
217 I A -0.5957
218 Q A 0.0000
219 L A 0.0000
220 E A 0.0000
221 F A 0.0656
222 L A 0.0000
223 R A -0.5533
224 A A 0.0000
225 H A 0.2219
226 L A 1.7525
227 I A 2.5009
228 T A 1.1206
229 L A 1.4792
230 G A -0.1192
231 M A -0.3454
232 D A -2.2870
233 E A -2.1600
234 L A -0.1656
235 Y A -0.8705
236 K A -2.2207
237 I A -1.3984
238 G A -0.9714
239 T A -0.5085
240 G A -0.1703
241 F A -0.2311
242 P A -0.5581
243 F A -0.7169
244 D A -1.7842
245 P A -1.1312
246 H A -0.6358
247 Y A -0.4027
248 V A -0.8399
249 E A -2.2796
250 V A 0.0000
251 L A -0.1421
252 G A -1.0367
253 E A -1.8068
254 R A -2.7456
255 M A 0.0000
256 H A 0.0000
257 Y A -0.3807
258 V A 0.0000
259 D A 0.0000
260 V A -0.4666
261 G A -1.0258
262 P A -1.7655
263 R A -2.8659
264 D A -2.8440
265 G A -1.7687
266 T A -1.4158
267 P A -1.3852
268 V A 0.0000
269 L A 0.0000
270 F A 0.0000
271 L A 0.0000
272 H A 0.0000
273 G A 0.0000
274 N A 0.0000
275 P A 0.0000
276 T A 0.0000
277 S A 0.0000
278 S A 0.0000
279 Y A 0.0000
280 V A 0.0000
281 W A 0.0000
282 R A 0.0000
283 N A -0.7789
284 I A 0.0000
285 I A 0.0000
286 P A -0.6668
287 H A -1.0165
288 V A 0.0000
289 A A -0.3998
290 P A -0.4837
291 T A -0.7125
292 H A -0.9247
293 R A -1.2915
294 C A 0.0000
295 I A 0.0000
296 A A 0.0000
297 P A 0.0000
298 D A 0.0000
299 L A 0.0000
300 I A 0.0000
301 G A 0.0000
302 M A 0.0000
303 G A -1.3336
304 K A -2.1587
305 S A 0.0000
306 D A -2.0541
307 K A -1.3874
308 P A -1.4521
309 D A -1.6095
310 L A -0.4493
311 G A -0.3431
312 Y A 0.0000
313 F A 0.3440
314 F A 0.0000
315 D A -2.0004
316 D A -1.3102
317 H A 0.0000
318 V A -1.4096
319 R A -2.2839
320 F A 0.0000
321 M A 0.0000
322 D A -1.4080
323 A A -1.2538
324 F A 0.0000
325 I A 0.0000
326 E A -2.2826
327 A A -1.0767
328 L A -0.7778
329 G A -1.6851
330 L A 0.0000
331 E A -3.1316
332 E A -2.9225
333 V A 0.0000
334 V A 0.0000
335 L A 0.0000
336 V A 0.0000
337 I A 0.0000
338 H A 0.0000
339 D A 0.0000
340 W A 0.0000
341 G A 0.0000
342 S A 0.0000
343 A A 0.0000
344 L A 0.0000
345 G A 0.0000
346 F A 0.0000
347 H A -0.7610
348 W A 0.0000
349 A A 0.0000
350 K A -1.8291
351 R A -1.6180
352 N A -1.8494
353 P A -1.8925
354 E A -2.8547
355 R A -2.6644
356 V A 0.0000
357 K A -1.6623
358 G A 0.0000
359 I A 0.0000
360 A A 0.0000
361 F A 0.0000
362 M A 0.0000
363 E A 0.0000
364 F A 0.0000
365 I A 0.0000
366 R A 0.0000
367 P A -0.7185
368 I A 0.0000
369 P A -0.9790
370 T A -1.2104
371 W A -1.5883
372 D A -2.6460
373 E A -2.1731
374 W A 0.0000
375 P A -1.5367
376 E A -2.3330
377 F A -0.9054
378 A A 0.0000
379 R A -1.8892
380 E A -1.7063
381 T A 0.0000
382 F A -0.6317
383 Q A -1.1287
384 A A -1.0757
385 F A 0.0000
386 R A -1.0554
387 T A -1.0047
388 T A -1.3834
389 D A -2.2145
390 V A -1.4849
391 G A 0.0000
392 R A -2.2268
393 K A -2.1556
394 L A 0.0000
395 I A 0.0000
396 I A 0.0000
397 D A -2.2450
398 Q A -1.2450
399 N A 0.0000
400 V A 0.0000
401 F A 0.0000
402 I A 0.0000
403 E A -0.4247
404 G A 0.0000
405 T A -0.0259
406 L A 0.0000
407 P A 0.0000
408 T A -0.0232
409 G A 0.0000
410 V A 0.0000
411 V A 0.4006
412 R A 0.0000
413 P A -0.0473
414 L A 0.0000
415 T A 0.0000
416 E A -0.6608
417 V A 0.3368
418 E A 0.0000
419 M A 0.0000
420 D A -2.1604
421 H A -1.7119
422 Y A 0.0000
423 R A -1.6155
424 E A -2.5138
425 P A -1.5760
426 F A 0.0000
427 L A 0.2949
428 N A -0.6067
429 P A -0.3886
430 V A 0.7890
431 D A -0.0134
432 R A 0.0000
433 E A -0.3726
434 P A 0.0000
435 L A 0.0000
436 W A 0.0000
437 R A -0.3392
438 F A 0.0000
439 P A 0.0000
440 N A -0.5827
441 E A 0.0000
442 L A 0.0000
443 P A 0.0000
444 I A 0.0000
445 A A -1.0705
446 G A -1.4000
447 E A -2.2210
448 P A -1.5569
449 A A -1.2588
450 N A -1.4694
451 I A 0.0000
452 V A -1.3933
453 A A -1.5207
454 L A -1.2079
455 V A 0.0000
456 E A -3.0157
457 E A -3.2433
458 Y A 0.0000
459 M A 0.0000
460 D A -3.3073
461 W A -2.2781
462 L A 0.0000
463 H A -1.7231
464 Q A -1.9728
465 S A 0.0000
466 P A -0.9632
467 V A 0.0000
468 P A -0.8559
469 K A 0.0000
470 L A 0.0000
471 L A 0.0000
472 F A 0.0000
473 W A -0.3667
474 G A 0.0000
475 T A -0.3711
476 P A -0.1424
477 G A -0.0632
478 V A 0.1095
479 L A 0.0000
480 I A 0.0000
481 P A -0.1491
482 P A -0.5241
483 A A -0.4611
484 E A -0.6916
485 A A 0.0000
486 A A -1.2033
487 R A -1.9430
488 L A 0.0000
489 A A -1.6336
490 K A -2.4295
491 S A -1.6424
492 L A 0.0000
493 P A -1.5580
494 N A -1.9627
495 C A -1.3682
496 K A -1.4020
497 A A -0.8345
498 V A -0.6351
499 D A -1.2398
500 I A 0.0000
501 G A -0.6659
502 P A -0.4611
503 G A 0.0000
504 E A 0.0000
505 N A -0.0412
506 L A 0.0000
507 L A 0.0000
508 Q A 0.0000
509 E A 0.0000
510 D A -0.3864
511 N A -0.7824
512 P A 0.0000
513 D A -1.9824
514 L A -0.7429
515 I A 0.0000
516 G A 0.0000
517 S A -1.0757
518 E A -0.8698
519 I A 0.0000
520 A A -0.7761
521 R A -1.6446
522 W A -0.5439
523 L A 0.0275
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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
LR229A -0.5706 -0.0229 View CSV PDB
IE227A -0.3011 -0.0236 View CSV PDB
LK229A -0.4546 -0.0198 View CSV PDB
ID227A -0.386 -0.0207 View CSV PDB
VE2A -0.5257 -0.017 View CSV PDB
VK2A -0.2621 -0.0157 View CSV PDB
MR1A -0.5935 -0.0106 View CSV PDB
TR228A -0.514 -0.0087 View CSV PDB
ME1A -0.4065 -0.0097 View CSV PDB
TK228A -0.4318 -0.007 View CSV PDB
LR226A 1.139 -0.0125 View CSV PDB
LD226A 1.4884 -0.0122 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018