Project name: Y740

Status: done

Started: 2026-03-12 01:31:22
Settings
Chain sequence(s) A: MATKTIVRPYTSNLSPNAAKKAMLDESFKFFDHAYTVFFSVFIKLWGGVKPTQVALVENDTNKIDAICSILWFRLQTKTDSTNITLQSAEERIRRFKEYAQHDPSPLALSYLTGNLDPEKHEWVDCRELYQNWCAELKCDLATDIETMINHNLLPISAKQEYNCYSSFSNLFGEAEKENKAEKVEWYRSVVAALKSKSAWNWDEYRKMLFEKIGCTAPKGGGRLSLLFLDMRSDTTGPISSQEITKRITSFEKVAEEKSKTYELPHRLTVKQYICNQLAHPYDLAIWSAVANYAISSIRSKNSINMLYSDEKLNRETIIAKIKSQNPNIEQVQEILSQFRAGENNAFVIEPRHLSNLKSLFRFWSNSSMDEGITTLLQIPQSEYERSPIVDLLRHIHPHRNKFTAEQFIVAAELNGIEFDNAMKKIHPTVYGKTTVDYGPKSTIYGSITPPSKLIRGVHAGSHGMMWVTMTLLDNGKWIKHHIPFHNSRYYEEMYAYREGLPVGEKPRRPVLGNRVGNHIDNTGLINKKCRKASKAYLRTIQNMNHNVWFDPDTHFLVQRNGDNFAIQISSRIKESKPKSNVEVGDRILGMDQNQTASNTYSVVEVVREGTENSHPYNNYFVKVIEDGNVTSCTTKNDRGEFDQLSYEGLAYSEFEIWRQARIAFLSAHDPELAQKMIDKTNESLYKWNNNYAYYLKVCMRNKMNGDNHALFRNEIKEFIEGMPVAGKNEKHKFFGSIRGSLSLESLEGLSKSRSLISCYFYLLEKKEIEQQKEFDSDLFKLGECLSEKRVNKREERANRIVSSVLQICSRLNVSRIVIENKLPTANHENKSSANRRATDWCPRKVQQKLLDAVKMVGIKVLAVKPYNTSHIDPFVNGESNRQALEARFMDVDVKDITDRNIKQFKKMHRNQVGVLNSIYHNALRSFAANYGLNWNELPNMNLEQIKNALKDHVRVMFPQWGGRSFMSTHNVTRNSVRVSYNNRTRWLNFSDVIAALNIALRGSGNYEPKGDSQNTAPSRNS
input PDB
Selected Chain(s) A
Distance of aggregation 5 Å
FoldX usage Yes
Dynamic mode No
Automated mutations Yes
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[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                                          (00:29:11)
[INFO]       Auto_mut: Residue number 84 from chain A and a score of 1.862 (isoleucine) selected   
                       for automated muatation                                                     (00:29:30)
[INFO]       Auto_mut: Residue number 503 from chain A and a score of 1.707 (valine) selected for  
                       automated muatation                                                         (00:29:30)
[INFO]       Auto_mut: Residue number 657 from chain A and a score of 1.688 (isoleucine) selected  
                       for automated muatation                                                     (00:29:30)
[INFO]       Auto_mut: Residue number 913 from chain A and a score of 1.607 (valine) selected for  
                       automated muatation                                                         (00:29:30)
[INFO]       Auto_mut: Residue number 791 from chain A and a score of 1.586 (valine) selected for  
                       automated muatation                                                         (00:29:30)
[INFO]       Auto_mut: Residue number 307 from chain A and a score of 1.543 (leucine) selected for 
                       automated muatation                                                         (00:29:30)
[INFO]       Auto_mut: Mutating residue number 84 from chain A (isoleucine) into glutamic acid     (00:29:30)
[INFO]       Auto_mut: Mutating residue number 84 from chain A (isoleucine) into aspartic acid     (00:29:30)
[INFO]       Auto_mut: Mutating residue number 503 from chain A (valine) into glutamic acid        (00:29:30)
[INFO]       Auto_mut: Mutating residue number 503 from chain A (valine) into lysine               (00:43:26)
[INFO]       Auto_mut: Mutating residue number 84 from chain A (isoleucine) into arginine          (00:43:26)
[INFO]       Auto_mut: Mutating residue number 84 from chain A (isoleucine) into lysine            (00:44:02)
[INFO]       Auto_mut: Mutating residue number 503 from chain A (valine) into aspartic acid        (00:57:28)
[INFO]       Auto_mut: Mutating residue number 657 from chain A (isoleucine) into glutamic acid    (00:57:29)
[INFO]       Auto_mut: Mutating residue number 657 from chain A (isoleucine) into aspartic acid    (00:59:00)
[INFO]       Auto_mut: Mutating residue number 657 from chain A (isoleucine) into lysine           (01:11:29)
[INFO]       Auto_mut: Mutating residue number 503 from chain A (valine) into arginine             (01:12:33)
[INFO]       Auto_mut: Mutating residue number 657 from chain A (isoleucine) into arginine         (01:12:57)
[INFO]       Auto_mut: Mutating residue number 913 from chain A (valine) into glutamic acid        (01:25:48)
[INFO]       Auto_mut: Mutating residue number 913 from chain A (valine) into aspartic acid        (01:27:23)
[INFO]       Auto_mut: Mutating residue number 791 from chain A (valine) into glutamic acid        (01:27:43)
[INFO]       Auto_mut: Mutating residue number 913 from chain A (valine) into lysine               (01:39:59)
[INFO]       Auto_mut: Mutating residue number 913 from chain A (valine) into arginine             (01:41:37)
[INFO]       Auto_mut: Mutating residue number 791 from chain A (valine) into lysine               (01:42:20)
[INFO]       Auto_mut: Mutating residue number 791 from chain A (valine) into aspartic acid        (01:53:55)
[INFO]       Auto_mut: Mutating residue number 307 from chain A (leucine) into glutamic acid       (01:55:40)
[INFO]       Auto_mut: Mutating residue number 307 from chain A (leucine) into aspartic acid       (02:00:04)
[INFO]       Auto_mut: Mutating residue number 791 from chain A (valine) into arginine             (02:08:32)
[INFO]       Auto_mut: Mutating residue number 307 from chain A (leucine) into lysine              (02:09:54)
[INFO]       Auto_mut: Mutating residue number 307 from chain A (leucine) into arginine            (02:14:52)
[INFO]       Auto_mut: Effect of mutation residue number 84 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.0165 kcal/mol, Difference in average    
                       score from the base case: -0.0055                                           (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 84 from chain A (isoleucine) into lysine: 
                       Energy difference: -0.1230 kcal/mol, Difference in average score from the   
                       base case: -0.0035                                                          (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 84 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: -0.0408 kcal/mol, Difference in average   
                       score from the base case: -0.0045                                           (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 84 from chain A (isoleucine) into         
                       arginine: Energy difference: -0.1788 kcal/mol, Difference in average score  
                       from the base case: -0.0050                                                 (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 503 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.5935 kcal/mol, Difference in average score from 
                       the base case: -0.0045                                                      (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 503 from chain A (valine) into lysine:    
                       Energy difference: -0.2894 kcal/mol, Difference in average score from the   
                       base case: -0.0045                                                          (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 503 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.1196 kcal/mol, Difference in average score from 
                       the base case: -0.0042                                                      (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 503 from chain A (valine) into arginine:  
                       Energy difference: -0.4081 kcal/mol, Difference in average score from the   
                       base case: -0.0042                                                          (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 657 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: -0.2738 kcal/mol, Difference in average   
                       score from the base case: -0.0040                                           (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 657 from chain A (isoleucine) into        
                       lysine: Energy difference: 0.4230 kcal/mol, Difference in average score     
                       from the base case: -0.0038                                                 (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 657 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: -0.0468 kcal/mol, Difference in average   
                       score from the base case: -0.0039                                           (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 657 from chain A (isoleucine) into        
                       arginine: Energy difference: 0.4301 kcal/mol, Difference in average score   
                       from the base case: -0.0040                                                 (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 913 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.8879 kcal/mol, Difference in average score from 
                       the base case: -0.0042                                                      (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 913 from chain A (valine) into lysine:    
                       Energy difference: 0.0603 kcal/mol, Difference in average score from the    
                       base case: -0.0042                                                          (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 913 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.8022 kcal/mol, Difference in average score from 
                       the base case: -0.0043                                                      (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 913 from chain A (valine) into arginine:  
                       Energy difference: -0.0260 kcal/mol, Difference in average score from the   
                       base case: -0.0038                                                          (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 791 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.6084 kcal/mol, Difference in average score from 
                       the base case: -0.0037                                                      (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 791 from chain A (valine) into lysine:    
                       Energy difference: -0.2955 kcal/mol, Difference in average score from the   
                       base case: -0.0038                                                          (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 791 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.1728 kcal/mol, Difference in average score from 
                       the base case: -0.0043                                                      (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 791 from chain A (valine) into arginine:  
                       Energy difference: -0.2310 kcal/mol, Difference in average score from the   
                       base case: -0.0041                                                          (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 307 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.4491 kcal/mol, Difference in average score from  
                       the base case: -0.0038                                                      (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 307 from chain A (leucine) into lysine:   
                       Energy difference: -0.0593 kcal/mol, Difference in average score from the   
                       base case: -0.0020                                                          (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 307 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.9790 kcal/mol, Difference in average score from  
                       the base case: -0.0033                                                      (02:30:16)
[INFO]       Auto_mut: Effect of mutation residue number 307 from chain A (leucine) into arginine: 
                       Energy difference: -0.1218 kcal/mol, Difference in average score from the   
                       base case: -0.0035                                                          (02:30:16)
[INFO]       Main:     Simulation completed successfully.                                          (02:30:41)
Show buried residues

Minimal score value
-2.3792
Maximal score value
1.8619
Average score
-0.4052
Total score value
-414.1522

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 1.0640
2 A A 0.2373
3 T A -0.3672
4 K A -1.7211
5 T A -0.4076
6 I A 0.5446
7 V A 1.3946
8 R A -0.0730
9 P A -0.3097
10 Y A 0.0000
11 T A -0.1119
12 S A -0.2233
13 N A -0.9711
14 L A 0.0000
15 S A -0.1624
16 P A -0.3168
17 N A -1.2727
18 A A -0.1594
19 A A 0.0160
20 K A -0.4085
21 K A -0.8250
22 A A -0.0798
23 M A 0.1567
24 L A 0.0000
25 D A -0.5536
26 E A -1.6466
27 S A 0.0000
28 F A 0.0000
29 K A -1.7000
30 F A 0.0000
31 F A 0.0000
32 D A -1.8988
33 H A -0.9266
34 A A 0.0000
35 Y A 0.0000
36 T A -0.0273
37 V A 0.0000
38 F A 0.0000
39 F A 0.0000
40 S A -0.0576
41 V A 0.0000
42 F A 0.0000
43 I A 0.0000
44 K A -0.2486
45 L A 0.0000
46 W A 0.0000
47 G A 0.0000
48 G A 0.0000
49 V A 0.0000
50 K A -0.7084
51 P A -0.1774
52 T A -0.0782
53 Q A 0.0000
54 V A 0.0000
55 A A 0.2421
56 L A 1.3129
57 V A 0.4101
58 E A -0.4612
59 N A -1.5170
60 D A -1.3209
61 T A -0.3905
62 N A -0.9379
63 K A -0.7297
64 I A 0.0816
65 D A 0.0000
66 A A 0.0000
67 I A 0.0000
68 C A 0.0000
69 S A 0.0000
70 I A 0.0000
71 L A 0.0000
72 W A 0.0000
73 F A 0.0000
74 R A 0.0000
75 L A 0.0000
76 Q A -0.1663
77 T A -0.2792
78 K A -1.1321
79 T A -0.5824
80 D A -1.8378
81 S A -0.5324
82 T A -0.1888
83 N A -0.4084
84 I A 1.8619
85 T A 0.2885
86 L A 0.0000
87 Q A -0.3245
88 S A -0.1647
89 A A -0.3373
90 E A -1.8616
91 E A -0.6837
92 R A 0.0000
93 I A 0.1703
94 R A -1.0837
95 R A -0.5853
96 F A 0.0000
97 K A -1.0801
98 E A -1.9149
99 Y A 0.0192
100 A A -0.1439
101 Q A -1.2884
102 H A -1.0516
103 D A -1.8827
104 P A 0.0000
105 S A -0.0679
106 P A -0.1751
107 L A 0.1135
108 A A 0.0000
109 L A 0.5144
110 S A 0.0000
111 Y A 0.0000
112 L A 0.0000
113 T A -0.0319
114 G A 0.0000
115 N A -0.4133
116 L A 0.2104
117 D A -0.3210
118 P A -0.6437
119 E A -2.1737
120 K A -2.0554
121 H A -0.5982
122 E A 0.0000
123 W A 0.0000
124 V A 0.2745
125 D A 0.0000
126 C A 0.0000
127 R A -0.4487
128 E A -0.8243
129 L A 0.4571
130 Y A 0.0000
131 Q A -1.4289
132 N A -1.4901
133 W A 0.0000
134 C A 0.0000
135 A A -0.4496
136 E A -1.7778
137 L A -0.4552
138 K A -1.6444
139 C A -0.5276
140 D A -1.7713
141 L A 0.0000
142 A A 0.0029
143 T A -0.0265
144 D A 0.0000
145 I A 0.0000
146 E A -0.9439
147 T A 0.0000
148 M A 0.0000
149 I A 0.0000
150 N A -0.3246
151 H A -0.2825
152 N A -0.4264
153 L A 0.0000
154 L A 0.0000
155 P A 0.0000
156 I A 0.0000
157 S A -0.0248
158 A A -0.2481
159 K A -1.6897
160 Q A 0.0000
161 E A -1.7890
162 Y A -0.3973
163 N A -1.2420
164 C A 0.0000
165 Y A 0.4407
166 S A -0.0183
167 S A 0.0000
168 F A 0.0000
169 S A -0.1370
170 N A -0.4168
171 L A 0.0000
172 F A 0.0000
173 G A -0.3991
174 E A -1.8208
175 A A -0.6000
176 E A -2.0335
177 K A -1.7376
178 E A -1.3844
179 N A -1.5175
180 K A -0.6419
181 A A -0.2196
182 E A -1.1412
183 K A -0.3587
184 V A 0.0000
185 E A -1.7970
186 W A -0.2169
187 Y A 0.0000
188 R A -1.8566
189 S A -0.4036
190 V A 0.0000
191 V A 0.0000
192 A A 0.0596
193 A A 0.0170
194 L A 0.0000
195 K A -1.7382
196 S A -0.7204
197 K A -1.2084
198 S A -0.4054
199 A A 0.0203
200 W A 0.0000
201 N A -0.7482
202 W A -0.2393
203 D A -1.3948
204 E A -1.1832
205 Y A 0.0000
206 R A -0.5167
207 K A -1.7378
208 M A 0.0000
209 L A 0.0000
210 F A 0.6688
211 E A -1.8158
212 K A -1.3045
213 I A 0.0000
214 G A -0.4259
215 C A 0.1280
216 T A -0.0233
217 A A 0.0083
218 P A -0.3344
219 K A -1.7892
220 G A -0.8540
221 G A -0.6323
222 G A -0.8794
223 R A -1.8790
224 L A -0.0889
225 S A 0.0798
226 L A 0.6277
227 L A 0.0000
228 F A 0.0000
229 L A 0.6328
230 D A 0.0000
231 M A 0.0000
232 R A -1.7405
233 S A -0.6813
234 D A -1.8053
235 T A -0.3749
236 T A -0.1075
237 G A -0.2186
238 P A -0.3990
239 I A 0.0000
240 S A -0.1771
241 S A -0.4557
242 Q A -1.3694
243 E A -0.9509
244 I A 0.0000
245 T A -0.3599
246 K A -1.7475
247 R A -0.4702
248 I A 0.2239
249 T A -0.0293
250 S A -0.0784
251 F A 0.0000
252 E A -2.0381
253 K A -1.9517
254 V A 0.0475
255 A A 0.0000
256 E A -2.0808
257 E A -1.8365
258 K A -0.6392
259 S A -0.3973
260 K A -0.7310
261 T A -0.1361
262 Y A -0.0025
263 E A -1.6234
264 L A 0.0000
265 P A -0.2502
266 H A -0.3055
267 R A -0.1962
268 L A 0.6663
269 T A 0.1036
270 V A 0.0000
271 K A 0.0000
272 Q A -1.1622
273 Y A -0.0764
274 I A 0.0000
275 C A -0.2528
276 N A -1.3697
277 Q A -0.8696
278 L A 0.0000
279 A A 0.0161
280 H A -0.2701
281 P A -0.2445
282 Y A 0.0946
283 D A -0.6773
284 L A 0.1435
285 A A 0.0645
286 I A 0.0000
287 W A 0.0000
288 S A 0.0000
289 A A 0.0000
290 V A 0.0000
291 A A 0.0000
292 N A -0.5102
293 Y A 0.1902
294 A A 0.0000
295 I A 0.0000
296 S A -0.0814
297 S A -0.0549
298 I A 0.0000
299 R A -0.4468
300 S A -0.2717
301 K A -0.5441
302 N A -0.2902
303 S A 0.0052
304 I A 0.7290
305 N A 0.0000
306 M A 0.4224
307 L A 1.5426
308 Y A 0.0000
309 S A 0.0000
310 D A -1.4283
311 E A -1.5873
312 K A 0.0000
313 L A 0.1847
314 N A -1.1593
315 R A -1.0152
316 E A -0.9742
317 T A -0.1159
318 I A 0.6236
319 I A 0.3496
320 A A -0.1774
321 K A -1.4972
322 I A -0.1300
323 K A -0.4066
324 S A -0.5013
325 Q A -1.2852
326 N A -0.5321
327 P A -0.5176
328 N A -1.2355
329 I A 0.0000
330 E A -1.4825
331 Q A -0.8523
332 V A 0.0000
333 Q A -0.6070
334 E A -1.8651
335 I A 0.0000
336 L A 0.0000
337 S A -0.6106
338 Q A -1.2366
339 F A 0.0000
340 R A -0.8247
341 A A -0.1775
342 G A -0.6457
343 E A -1.3703
344 N A -1.5946
345 N A -0.9580
346 A A 0.1032
347 F A 1.1132
348 V A 0.6598
349 I A 0.0000
350 E A -0.2826
351 P A -0.1959
352 R A -0.3689
353 H A 0.0000
354 L A 0.0000
355 S A -0.2857
356 N A -1.1847
357 L A 0.0000
358 K A -1.1424
359 S A -0.2304
360 L A 0.0000
361 F A -0.0784
362 R A -1.7171
363 F A 0.1210
364 W A 0.0000
365 S A -0.4409
366 N A -1.3339
367 S A -0.3931
368 S A -0.1912
369 M A -0.0060
370 D A -1.4780
371 E A -2.0412
372 G A 0.0000
373 I A 0.0000
374 T A -0.2631
375 T A -0.0574
376 L A 0.0000
377 L A 0.4540
378 Q A -0.9500
379 I A 0.4713
380 P A -0.1566
381 Q A -0.7935
382 S A -0.5766
383 E A -1.7452
384 Y A 0.0355
385 E A -1.0722
386 R A -1.3340
387 S A -0.3852
388 P A 0.0000
389 I A 0.3495
390 V A 0.2866
391 D A -1.3504
392 L A 0.0000
393 L A 0.0000
394 R A -1.1049
395 H A -0.3983
396 I A 0.0000
397 H A -0.1560
398 P A -0.3156
399 H A -0.4227
400 R A -1.0008
401 N A -1.7102
402 K A -1.9287
403 F A 0.0000
404 T A -0.0441
405 A A 0.0000
406 E A -1.6614
407 Q A -0.5971
408 F A 0.0000
409 I A 0.3723
410 V A 0.3677
411 A A 0.0000
412 A A 0.0000
413 E A -1.1918
414 L A 0.0000
415 N A -0.1597
416 G A -0.0567
417 I A 0.1288
418 E A -0.3288
419 F A 0.6378
420 D A -1.6009
421 N A -0.5324
422 A A 0.1686
423 M A 0.7441
424 K A -0.9311
425 K A -1.5027
426 I A 0.0000
427 H A -0.2771
428 P A -0.0999
429 T A 0.0000
430 V A 0.6831
431 Y A 0.8995
432 G A -0.4303
433 K A -1.7506
434 T A 0.0000
435 T A 0.0000
436 V A 0.0000
437 D A -0.2240
438 Y A 0.0000
439 G A 0.0000
440 P A -0.3613
441 K A -1.7433
442 S A -0.4890
443 T A 0.0000
444 I A 0.0000
445 Y A 0.5865
446 G A 0.0000
447 S A -0.0340
448 I A 0.0000
449 T A 0.0000
450 P A -0.0967
451 P A 0.0000
452 S A -0.3454
453 K A -0.8341
454 L A 1.4326
455 I A 0.5283
456 R A -1.8233
457 G A -0.5545
458 V A 1.2706
459 H A 0.3022
460 A A -0.0215
461 G A 0.0000
462 S A -0.2177
463 H A -1.0062
464 G A -0.1305
465 M A 0.5377
466 M A 0.0000
467 W A 0.3015
468 V A 0.0000
469 T A -0.1382
470 M A 0.0000
471 T A -0.2503
472 L A 0.0000
473 L A 0.0000
474 D A -0.4453
475 N A -1.3954
476 G A -0.9949
477 K A -1.7372
478 W A 0.0687
479 I A 0.4700
480 K A -1.5913
481 H A -0.6139
482 H A -1.0138
483 I A 0.0000
484 P A 0.0000
485 F A 0.0000
486 H A -0.6636
487 N A -0.2605
488 S A -0.4095
489 R A -1.8537
490 Y A 0.0000
491 Y A 0.0000
492 E A -0.5606
493 E A 0.0000
494 M A 0.1015
495 Y A 0.0000
496 A A 0.0000
497 Y A 0.0291
498 R A -0.9978
499 E A -2.0319
500 G A -0.7451
501 L A 0.1530
502 P A 0.1152
503 V A 1.7071
504 G A -0.1185
505 E A -2.1204
506 K A -1.8908
507 P A 0.0000
508 R A 0.0000
509 R A -0.2865
510 P A -0.3756
511 V A 0.0000
512 L A 0.0000
513 G A -0.4994
514 N A -0.6282
515 R A -1.8369
516 V A -0.0837
517 G A -0.3574
518 N A -1.4854
519 H A -1.1666
520 I A -0.1951
521 D A -1.9662
522 N A -1.6116
523 T A -0.3849
524 G A -0.2030
525 L A 1.5261
526 I A 0.4279
527 N A -1.2925
528 K A -2.3792
529 K A -1.9352
530 C A -0.2560
531 R A -2.2534
532 K A -2.0286
533 A A -0.2948
534 S A 0.0000
535 K A -0.6994
536 A A -0.0870
537 Y A 0.2078
538 L A 0.1137
539 R A -0.7209
540 T A 0.0000
541 I A 0.2228
542 Q A -0.4019
543 N A -0.3495
544 M A 0.0000
545 N A -1.2903
546 H A -0.3243
547 N A 0.0000
548 V A 0.0000
549 W A 0.7055
550 F A 0.3420
551 D A -0.1819
552 P A -0.3743
553 D A -0.5296
554 T A 0.0000
555 H A -0.2388
556 F A 0.0000
557 L A 0.1783
558 V A 0.0000
559 Q A -0.4154
560 R A -0.9745
561 N A -0.7845
562 G A -0.8906
563 D A -2.1045
564 N A -1.5971
565 F A 0.0000
566 A A -0.1333
567 I A 0.0000
568 Q A -0.2312
569 I A 0.0000
570 S A -0.0505
571 S A 0.0000
572 R A -0.6907
573 I A 0.0000
574 K A -0.9318
575 E A -0.8169
576 S A -0.5364
577 K A -1.7309
578 P A -0.6277
579 K A -1.3484
580 S A -0.6768
581 N A -1.3114
582 V A 0.0000
583 E A -1.5654
584 V A 0.6870
585 G A -0.2686
586 D A 0.0000
587 R A -0.4359
588 I A 0.0000
589 L A 0.0000
590 G A 0.0000
591 M A 0.0000
592 D A 0.0000
593 Q A 0.0000
594 N A -0.1834
595 Q A -0.2613
596 T A -0.1088
597 A A -0.0051
598 S A -0.0294
599 N A 0.0000
600 T A 0.0000
601 Y A 0.0000
602 S A 0.0000
603 V A 0.0000
604 V A 0.0000
605 E A -0.3115
606 V A 0.0000
607 V A 0.0000
608 R A -2.1779
609 E A -2.2417
610 G A -0.7945
611 T A -0.4218
612 E A -2.0508
613 N A -1.6059
614 S A -0.3446
615 H A -0.2012
616 P A -0.2060
617 Y A -0.1388
618 N A -1.4737
619 N A -1.4502
620 Y A 0.1157
621 F A 0.4033
622 V A 0.0000
623 K A -0.3938
624 V A 0.2526
625 I A 0.2939
626 E A -0.2499
627 D A -0.2913
628 G A -0.2905
629 N A -0.8608
630 V A 0.0000
631 T A -0.0482
632 S A 0.1018
633 C A 0.6903
634 T A 0.1011
635 T A -0.3834
636 K A -2.1448
637 N A -1.9062
638 D A -2.2772
639 R A -1.8039
640 G A -0.7487
641 E A -1.9690
642 F A -0.0121
643 D A -0.0600
644 Q A -0.2229
645 L A 0.0000
646 S A -0.0833
647 Y A -0.0947
648 E A -1.4146
649 G A -0.2585
650 L A 0.2523
651 A A 0.1356
652 Y A 0.1492
653 S A -0.5064
654 E A -1.8579
655 F A 0.0000
656 E A -1.4612
657 I A 1.6882
658 W A 0.0000
659 R A 0.0000
660 Q A -1.1951
661 A A -0.1966
662 R A 0.0000
663 I A 0.2387
664 A A 0.1097
665 F A 0.2009
666 L A 0.0000
667 S A -0.1473
668 A A 0.0098
669 H A -0.1722
670 D A -0.2624
671 P A -0.6325
672 E A -1.8657
673 L A 0.0000
674 A A 0.0000
675 Q A -1.1434
676 K A -1.1355
677 M A 0.0000
678 I A 0.7981
679 D A -1.6280
680 K A -0.6719
681 T A -0.3627
682 N A -1.3195
683 E A -0.4214
684 S A -0.0643
685 L A 0.0000
686 Y A -0.0609
687 K A -1.0395
688 W A 0.0000
689 N A 0.0000
690 N A 0.0000
691 N A -0.2329
692 Y A 0.0000
693 A A 0.0000
694 Y A 1.1785
695 Y A 0.3848
696 L A 0.0000
697 K A -0.4821
698 V A 0.3495
699 C A 0.0000
700 M A 0.0000
701 R A -2.0752
702 N A -1.7717
703 K A -1.1243
704 M A -0.2840
705 N A -1.2993
706 G A -1.0101
707 D A -1.9337
708 N A -0.6958
709 H A -0.2554
710 A A 0.2049
711 L A 1.2712
712 F A 0.0000
713 R A -0.5085
714 N A -1.3243
715 E A 0.0000
716 I A 0.0000
717 K A -0.5107
718 E A -1.0395
719 F A 0.0000
720 I A 0.0000
721 E A -0.3873
722 G A 0.0000
723 M A 0.0131
724 P A -0.1358
725 V A 0.2293
726 A A 0.0184
727 G A -0.7577
728 K A -1.9673
729 N A -1.6452
730 E A -2.3054
731 K A -2.1818
732 H A -1.2892
733 K A -0.6879
734 F A 0.6724
735 F A 0.3315
736 G A 0.0000
737 S A 0.0000
738 I A -0.0531
739 R A -1.6409
740 G A -0.4782
741 S A 0.0000
742 L A 0.0000
743 S A 0.0000
744 L A 0.0251
745 E A -0.7065
746 S A 0.0000
747 L A 0.0000
748 E A -0.2436
749 G A 0.0000
750 L A 0.0000
751 S A 0.0000
752 K A -0.4474
753 S A 0.0000
754 R A -1.0252
755 S A -0.2802
756 L A 0.0000
757 I A 0.0000
758 S A -0.0917
759 C A 0.0000
760 Y A 0.0000
761 F A 0.0000
762 Y A 1.3924
763 L A 0.7018
764 L A -0.0495
765 E A -1.8645
766 K A -1.0837
767 K A -2.0948
768 E A -1.8254
769 I A 0.4818
770 E A -1.7587
771 Q A -1.1536
772 Q A -0.5034
773 K A -1.3810
774 E A -1.8297
775 F A 0.5897
776 D A -0.0438
777 S A -0.5814
778 D A -1.8054
779 L A 0.0000
780 F A -0.1007
781 K A -1.6639
782 L A 0.0000
783 G A 0.0000
784 E A -1.6256
785 C A 0.0630
786 L A 0.0000
787 S A -0.3936
788 E A -1.9283
789 K A -0.9225
790 R A -0.0978
791 V A 1.5861
792 N A -0.3973
793 K A 0.0000
794 R A -0.4419
795 E A -1.0310
796 E A -1.6058
797 R A 0.0000
798 A A 0.0000
799 N A -0.9486
800 R A -0.8396
801 I A 0.0000
802 V A 0.0000
803 S A -0.1383
804 S A -0.0320
805 V A 0.0000
806 L A 0.0000
807 Q A -0.2586
808 I A 0.1504
809 C A 0.0000
810 S A -0.4633
811 R A -1.8679
812 L A 0.0000
813 N A -1.2730
814 V A 0.0000
815 S A -0.0321
816 R A 0.0000
817 I A 0.0000
818 V A 0.0000
819 I A 0.0000
820 E A 0.0000
821 N A -0.5659
822 K A -1.7474
823 L A 0.0000
824 P A -0.0631
825 T A -0.0337
826 A A -0.1685
827 N A -1.0585
828 H A -1.4733
829 E A -2.0403
830 N A -0.9132
831 K A -1.3994
832 S A -0.4670
833 S A -0.1312
834 A A 0.0000
835 N A -0.3243
836 R A -0.8039
837 R A -0.6875
838 A A 0.0000
839 T A -0.0192
840 D A 0.0000
841 W A 0.0000
842 C A 0.0000
843 P A 0.0000
844 R A -1.4595
845 K A -0.9220
846 V A 0.0000
847 Q A -0.4956
848 Q A -1.2859
849 K A -0.5605
850 L A 0.0000
851 L A 0.3374
852 D A -1.0201
853 A A -0.1943
854 V A 0.0000
855 K A -0.7234
856 M A 0.0000
857 V A 0.3518
858 G A -0.0351
859 I A 0.0000
860 K A -0.7475
861 V A 0.1117
862 L A 0.3757
863 A A 0.0662
864 V A 0.0000
865 K A -1.7082
866 P A -0.1103
867 Y A 1.2799
868 N A 0.0862
869 T A 0.0000
870 S A -0.0516
871 H A 0.0000
872 I A 0.0000
873 D A 0.0000
874 P A 0.0000
875 F A 0.3105
876 V A 0.1516
877 N A -1.2803
878 G A -0.6307
879 E A -1.8707
880 S A -0.7666
881 N A -1.6386
882 R A -2.1524
883 Q A -0.9750
884 A A -0.0418
885 L A 0.1930
886 E A -0.4287
887 A A 0.0000
888 R A 0.0000
889 F A 0.0000
890 M A 0.1109
891 D A -0.3024
892 V A 0.0469
893 D A -0.6534
894 V A 0.0000
895 K A -2.0186
896 D A -2.0921
897 I A 0.0000
898 T A -0.3656
899 D A -2.1300
900 R A -2.1672
901 N A 0.0000
902 I A 0.0000
903 K A -1.1930
904 Q A -0.3803
905 F A 0.0000
906 K A -0.7601
907 K A -0.5512
908 M A 0.0000
909 H A -0.5038
910 R A -2.0895
911 N A -1.6406
912 Q A -0.5083
913 V A 1.6067
914 G A 0.1871
915 V A 1.0026
916 L A 0.4774
917 N A -0.1229
918 S A -0.0771
919 I A 0.2591
920 Y A 0.0000
921 H A -0.3562
922 N A -1.4538
923 A A 0.0000
924 L A 0.0000
925 R A -1.7073
926 S A -0.3332
927 F A 0.0000
928 A A 0.0000
929 A A -0.0129
930 N A -0.3895
931 Y A -0.0029
932 G A -0.4393
933 L A 0.0000
934 N A -1.0102
935 W A -0.2581
936 N A -1.5707
937 E A -2.0481
938 L A 0.0000
939 P A -0.3497
940 N A -1.2467
941 M A -0.2840
942 N A -1.1774
943 L A -0.3472
944 E A -1.9701
945 Q A -1.3659
946 I A 0.0000
947 K A -0.5140
948 N A -1.4754
949 A A -0.1917
950 L A 0.0000
951 K A -2.1494
952 D A -2.1683
953 H A -0.4006
954 V A 1.3668
955 R A -1.5857
956 V A 0.0000
957 M A 0.0570
958 F A 0.0000
959 P A 0.0000
960 Q A -0.0849
961 W A 0.1606
962 G A -0.4170
963 G A 0.0000
964 R A -0.5000
965 S A -0.0177
966 F A 0.0000
967 M A 0.0000
968 S A 0.0000
969 T A -0.0774
970 H A -0.4163
971 N A -0.6685
972 V A 0.0000
973 T A 0.0000
974 R A -2.0758
975 N A -1.6133
976 S A 0.0671
977 V A 1.4298
978 R A -1.4461
979 V A -0.1232
980 S A -0.1728
981 Y A 0.0000
982 N A -0.4927
983 N A -1.6305
984 R A -2.0315
985 T A -0.4901
986 R A -0.4249
987 W A -0.0359
988 L A 0.2364
989 N A 0.0000
990 F A 0.8543
991 S A 0.0000
992 D A 0.0000
993 V A 0.0000
994 I A 0.0000
995 A A 0.0000
996 A A 0.0000
997 L A 0.0000
998 N A 0.0000
999 I A 0.0000
1000 A A 0.0000
1001 L A 0.0000
1002 R A -0.2035
1003 G A 0.0000
1004 S A 0.0000
1005 G A -0.3156
1006 N A -1.0482
1007 Y A 0.7360
1008 E A -1.6158
1009 P A -0.9024
1010 K A -1.8334
1011 G A -1.1230
1012 D A -1.9182
1013 S A -0.7664
1014 Q A -1.4809
1015 N A -1.5159
1016 T A -0.3019
1017 A A -0.0012
1018 P A -0.2839
1019 S A -0.5943
1020 R A -2.1147
1021 N A -1.6485
1022 S A -0.4474
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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
VE913A -0.8879 -0.0042 View CSV PDB
VD913A -0.8022 -0.0043 View CSV PDB
VE503A -0.5935 -0.0045 View CSV PDB
VE791A -0.6084 -0.0037 View CSV PDB
VR503A -0.4081 -0.0042 View CSV PDB
IR84A -0.1788 -0.005 View CSV PDB
IE657A -0.2738 -0.004 View CSV PDB
VK791A -0.2955 -0.0038 View CSV PDB
ID84A -0.0408 -0.0045 View CSV PDB
LR307A -0.1218 -0.0035 View CSV PDB
ID657A -0.0468 -0.0039 View CSV PDB
LK307A -0.0593 -0.002 View CSV PDB
 

Laboratory of Theory of Biopolymers 2018