Project name: c-met

Status: done

Started: 2026-04-12 02:54:56
Settings
Chain sequence(s) C: QLQLQESGPGLVKPSETLSLTCTVSGGSISSSVYYWSWIRQPPGKGLEWIGVIYPSGNTYYSPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARTIYDLFDIWGQGTMVTVSSASTKGPSVFPLAPSSKTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK
B: YQLPNFTAETPIQNVILHEHHIFLGATNYIYVLNEEDLQKVAEYKTGPVLEHPDCFPCQDCSVWKDNINMALVVDTYYDDQLISCGSVNRGTCQRHVFPHNHTADIQSEVHCIFSPQIEEPSQCPDCVVSALGAKVLSSVKDRFINFFVGNTINSSPLHSISVRRLKETKDGFMFLTDQSYIDVLPEFRDSYPIKYVHAFESNNFIYFLTVQRETLDAQTFHTRIIRFCSINSGLHSYMEMPLECILTKEVFNILQAAYVSKPGAQLARQIGASLNDDILFGVFAQSKPDSAEPMDRSAMCAFPIKYVNDFFNKINVRCLQHFYGPNCEEYRTEFTTALQRVDLFMGQFSEVLLTSISTFIKGDLTIANLGTSEGRFMQVVVSRSGPSTPHVNFLLDSHPVSPEVIVEHTLNQNGYTLVITGKKITKIPLNG
input PDB
Selected Chain(s) B,C
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 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                                          (00:05:45)
[INFO]       Auto_mut: Residue number 174 from chain C and a score of 2.059 (valine) selected for  
                       automated muatation                                                         (00:05:51)
[INFO]       Auto_mut: Residue number 111 from chain B and a score of 1.984 (valine) selected for  
                       automated muatation                                                         (00:05:51)
[INFO]       Auto_mut: Residue number 175 from chain C and a score of 1.845 (leucine) selected for 
                       automated muatation                                                         (00:05:51)
[INFO]       Auto_mut: Residue number 377 from chain B and a score of 1.714 (isoleucine) selected  
                       for automated muatation                                                     (00:05:51)
[INFO]       Auto_mut: Residue number 188 from chain B and a score of 1.705 (valine) selected for  
                       automated muatation                                                         (00:05:51)
[INFO]       Auto_mut: Residue number 180 from chain B and a score of 1.540 (leucine) selected for 
                       automated muatation                                                         (00:05:51)
[INFO]       Auto_mut: Mutating residue number 174 from chain C (valine) into glutamic acid        (00:05:51)
[INFO]       Auto_mut: Mutating residue number 174 from chain C (valine) into aspartic acid        (00:05:51)
[INFO]       Auto_mut: Mutating residue number 111 from chain B (valine) into glutamic acid        (00:05:51)
[INFO]       Auto_mut: Mutating residue number 174 from chain C (valine) into arginine             (00:08:42)
[INFO]       Auto_mut: Mutating residue number 174 from chain C (valine) into lysine               (00:08:44)
[INFO]       Auto_mut: Mutating residue number 111 from chain B (valine) into lysine               (00:08:45)
[INFO]       Auto_mut: Mutating residue number 111 from chain B (valine) into aspartic acid        (00:11:31)
[INFO]       Auto_mut: Mutating residue number 175 from chain C (leucine) into glutamic acid       (00:11:36)
[INFO]       Auto_mut: Mutating residue number 175 from chain C (leucine) into aspartic acid       (00:11:45)
[INFO]       Auto_mut: Mutating residue number 111 from chain B (valine) into arginine             (00:14:21)
[INFO]       Auto_mut: Mutating residue number 175 from chain C (leucine) into lysine              (00:14:25)
[INFO]       Auto_mut: Mutating residue number 175 from chain C (leucine) into arginine            (00:14:30)
[INFO]       Auto_mut: Mutating residue number 377 from chain B (isoleucine) into glutamic acid    (00:17:12)
[INFO]       Auto_mut: Mutating residue number 377 from chain B (isoleucine) into aspartic acid    (00:17:12)
[INFO]       Auto_mut: Mutating residue number 188 from chain B (valine) into glutamic acid        (00:17:18)
[INFO]       Auto_mut: Mutating residue number 188 from chain B (valine) into lysine               (00:19:57)
[INFO]       Auto_mut: Mutating residue number 377 from chain B (isoleucine) into arginine         (00:20:02)
[INFO]       Auto_mut: Mutating residue number 377 from chain B (isoleucine) into lysine           (00:20:08)
[INFO]       Auto_mut: Mutating residue number 188 from chain B (valine) into aspartic acid        (00:22:49)
[INFO]       Auto_mut: Mutating residue number 180 from chain B (leucine) into glutamic acid       (00:23:00)
[INFO]       Auto_mut: Mutating residue number 180 from chain B (leucine) into aspartic acid       (00:23:01)
[INFO]       Auto_mut: Mutating residue number 188 from chain B (valine) into arginine             (00:25:36)
[INFO]       Auto_mut: Mutating residue number 180 from chain B (leucine) into arginine            (00:25:46)
[INFO]       Auto_mut: Mutating residue number 180 from chain B (leucine) into lysine              (00:25:48)
[INFO]       Auto_mut: Effect of mutation residue number 174 from chain C (valine) into glutamic   
                       acid: Energy difference: 0.1196 kcal/mol, Difference in average score from  
                       the base case: -0.0071                                                      (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 174 from chain C (valine) into lysine:    
                       Energy difference: -0.3734 kcal/mol, Difference in average score from the   
                       base case: -0.0067                                                          (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 174 from chain C (valine) into aspartic   
                       acid: Energy difference: 0.6240 kcal/mol, Difference in average score from  
                       the base case: -0.0076                                                      (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 174 from chain C (valine) into arginine:  
                       Energy difference: -0.1472 kcal/mol, Difference in average score from the   
                       base case: -0.0071                                                          (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 111 from chain B (valine) into glutamic   
                       acid: Energy difference: 0.1061 kcal/mol, Difference in average score from  
                       the base case: -0.0065                                                      (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 111 from chain B (valine) into lysine:    
                       Energy difference: -0.0623 kcal/mol, Difference in average score from the   
                       base case: -0.0063                                                          (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 111 from chain B (valine) into aspartic   
                       acid: Energy difference: 0.2279 kcal/mol, Difference in average score from  
                       the base case: -0.0065                                                      (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 111 from chain B (valine) into arginine:  
                       Energy difference: 0.0314 kcal/mol, Difference in average score from the    
                       base case: -0.0066                                                          (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 175 from chain C (leucine) into glutamic  
                       acid: Energy difference: 0.6067 kcal/mol, Difference in average score from  
                       the base case: -0.0073                                                      (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 175 from chain C (leucine) into lysine:   
                       Energy difference: -0.0580 kcal/mol, Difference in average score from the   
                       base case: -0.0069                                                          (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 175 from chain C (leucine) into aspartic  
                       acid: Energy difference: 1.1010 kcal/mol, Difference in average score from  
                       the base case: -0.0075                                                      (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 175 from chain C (leucine) into arginine: 
                       Energy difference: -0.4098 kcal/mol, Difference in average score from the   
                       base case: -0.0071                                                          (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 377 from chain B (isoleucine) into        
                       glutamic acid: Energy difference: 0.6981 kcal/mol, Difference in average    
                       score from the base case: -0.0063                                           (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 377 from chain B (isoleucine) into        
                       lysine: Energy difference: 0.1038 kcal/mol, Difference in average score     
                       from the base case: -0.0050                                                 (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 377 from chain B (isoleucine) into        
                       aspartic acid: Energy difference: 0.2847 kcal/mol, Difference in average    
                       score from the base case: -0.0058                                           (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 377 from chain B (isoleucine) into        
                       arginine: Energy difference: 0.2142 kcal/mol, Difference in average score   
                       from the base case: -0.0071                                                 (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 188 from chain B (valine) into glutamic   
                       acid: Energy difference: 1.9990 kcal/mol, Difference in average score from  
                       the base case: -0.0064                                                      (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 188 from chain B (valine) into lysine:    
                       Energy difference: 0.4274 kcal/mol, Difference in average score from the    
                       base case: -0.0075                                                          (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 188 from chain B (valine) into aspartic   
                       acid: Energy difference: 2.6462 kcal/mol, Difference in average score from  
                       the base case: -0.0063                                                      (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 188 from chain B (valine) into arginine:  
                       Energy difference: -1.7343 kcal/mol, Difference in average score from the   
                       base case: -0.0078                                                          (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 180 from chain B (leucine) into glutamic  
                       acid: Energy difference: 0.7272 kcal/mol, Difference in average score from  
                       the base case: -0.0067                                                      (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 180 from chain B (leucine) into lysine:   
                       Energy difference: -0.0951 kcal/mol, Difference in average score from the   
                       base case: -0.0053                                                          (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 180 from chain B (leucine) into aspartic  
                       acid: Energy difference: 1.2607 kcal/mol, Difference in average score from  
                       the base case: -0.0069                                                      (00:28:42)
[INFO]       Auto_mut: Effect of mutation residue number 180 from chain B (leucine) into arginine: 
                       Energy difference: 0.2084 kcal/mol, Difference in average score from the    
                       base case: -0.0057                                                          (00:28:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:28:53)
Show buried residues
Minimal score value
-2.1854
Maximal score value
2.059
Average score
-0.2377
Total score value
-153.5645
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
41 Y B 1.1014
42 Q B -0.9191
43 L B 0.0162
44 P B -0.2811
45 N B -1.2905
46 F B 0.0000
47 T B -0.1216
48 A B 0.0000
49 E B -1.8222
50 T B -0.3660
51 P B -0.3381
52 I B 0.0000
53 Q B -0.2916
54 N B -0.2438
55 V B 0.0000
56 I B 0.5584
57 L B 0.3252
58 H B 0.0000
59 E B -1.9960
60 H B -1.3372
61 H B -0.3082
62 I B 0.0000
63 F B 0.0000
64 L B 0.0000
65 G B 0.0000
66 A B 0.0000
67 T B 0.0000
68 N B -0.1150
69 Y B -0.0725
70 I B 0.0000
71 Y B 0.0000
72 V B 0.0000
73 L B 0.0000
74 N B -0.3910
75 E B -0.6181
76 E B -2.0479
77 D B -1.3528
78 L B 0.0000
79 Q B -1.4348
80 K B -1.1699
81 V B 1.2012
82 A B 0.0776
83 E B -1.0438
84 Y B -0.3428
85 K B -1.6569
86 T B -0.3285
87 G B 0.0000
88 P B -0.3555
89 V B 0.4119
90 L B 1.0424
91 E B -0.9626
92 H B -1.2100
93 P B -0.4657
94 D B -0.2056
95 C B 0.1490
96 F B 0.2545
97 P B 0.0000
98 C B 0.1776
99 Q B -0.9456
100 D B -1.7786
101 C B 0.3700
102 S B -0.0814
111 V B 1.9835
112 W B 1.4993
113 K B -0.8841
114 D B -1.9733
115 N B -0.3303
116 I B 0.6807
117 N B 0.0000
118 M B 0.1338
119 A B 0.0000
120 L B 0.1708
121 V B 0.0000
122 V B 0.3278
123 D B 0.0000
124 T B -0.0069
125 Y B 0.8318
126 Y B 0.2165
127 D B -0.7700
128 D B -0.8508
129 Q B 0.0000
130 L B 0.0000
131 I B 0.0000
132 S B 0.0000
133 C B 0.0000
134 G B -0.0636
135 S B -0.0301
136 V B 0.0000
137 N B -0.7539
138 R B -1.1896
139 G B 0.0000
140 T B 0.0000
141 C B 0.0000
142 Q B -0.1457
143 R B 0.0000
144 H B 0.0000
145 V B 0.0000
146 F B 0.0000
147 P B -0.2583
148 H B -1.2305
149 N B -1.6208
150 H B -1.2152
151 T B -0.1922
152 A B -0.1025
153 D B -0.6133
154 I B 0.0000
155 Q B -1.2294
156 S B -0.5899
157 E B -1.0627
158 V B 0.2107
159 H B -0.3182
160 C B 0.4241
161 I B 0.0000
162 F B 0.1797
163 S B -0.0475
164 P B -0.1449
165 Q B -0.2590
166 I B -0.0672
167 E B -2.0863
168 E B -2.1503
169 P B -0.4154
170 S B -0.2506
171 Q B -0.2016
172 C B 0.0000
173 P B 0.0000
174 D B 0.0000
175 C B 0.0000
176 V B 0.0000
177 V B 0.0000
178 S B 0.0000
179 A B 0.3265
180 L B 1.5404
181 G B 0.1802
182 A B -0.0707
183 K B -0.3400
184 V B 0.0000
185 L B 0.2196
186 S B -0.0401
187 S B 0.0000
188 V B 1.7051
189 K B -0.3869
190 D B -2.1854
191 R B -2.0726
192 F B 0.1803
193 I B 0.0000
194 N B 0.0000
195 F B 0.0000
196 F B 0.0000
197 V B 0.0000
198 G B 0.0000
199 N B 0.0000
200 T B -0.0079
201 I B 0.0000
202 N B -1.0553
203 S B -0.3926
204 S B -0.2492
210 P B -0.2129
211 L B 0.1763
212 H B -0.0553
213 S B 0.0000
214 I B 0.0000
215 S B 0.0000
216 V B 0.0000
217 R B 0.0000
218 R B -0.2711
219 L B 0.0000
220 K B -0.7745
221 E B -1.9128
222 T B -0.4640
223 K B -0.7382
224 D B -1.8618
225 G B 0.0000
226 F B 0.0000
227 M B 0.4233
228 F B 0.3632
229 L B 0.6058
230 T B -0.2522
231 D B -1.9237
232 Q B -1.0373
233 S B 0.0000
234 Y B 0.2671
235 I B 0.0000
236 D B -0.3274
237 V B 0.0000
238 L B 0.2956
239 P B -0.5160
240 E B -1.8234
241 F B -0.1608
242 R B -0.5194
243 D B -1.8694
244 S B -0.4900
245 Y B 0.0000
246 P B -0.0395
247 I B 0.0000
248 K B -0.9763
249 Y B 0.0301
250 V B 0.4245
251 H B -0.1447
252 A B 0.0000
253 F B 0.0000
254 E B -1.1152
255 S B 0.0000
256 N B -1.4969
257 N B -1.4571
258 F B -0.0034
259 I B 0.0000
260 Y B 0.0000
261 F B 0.0000
262 L B 0.0000
263 T B 0.0000
264 V B 0.0000
265 Q B 0.0000
266 R B -0.3931
267 E B -0.7490
268 T B -0.1017
269 L B -0.0954
270 D B -1.7469
271 A B -0.5013
272 Q B -1.3329
273 T B -0.4398
274 F B 0.0000
275 H B -0.1207
276 T B 0.0000
277 R B 0.0000
278 I B 0.0000
279 I B 0.0000
280 R B 0.0000
281 F B 0.0000
282 C B 0.0000
283 S B 0.0571
284 I B 0.4546
285 N B -1.1633
286 S B -0.3138
287 G B 0.0000
288 L B 0.0000
289 H B -0.1616
290 S B -0.0563
291 Y B 0.0000
292 M B 0.1573
293 E B 0.0000
294 M B 0.0000
295 P B 0.0000
296 L B 0.0000
297 E B -0.4818
298 C B 0.0000
299 I B 0.3614
300 L B 0.2860
301 T B -0.0262
311 K B -1.8204
312 E B -0.8973
313 V B 0.3515
314 F B 0.0000
315 N B -0.2281
316 I B 0.0000
317 L B 0.0000
318 Q B -0.2645
319 A B 0.0000
320 A B 0.0507
321 Y B 0.3077
322 V B 0.3814
323 S B -0.2319
324 K B -1.4377
325 P B 0.0000
326 G B 0.0000
327 A B -0.2493
328 Q B -0.4695
329 L B 0.0000
330 A B 0.0000
331 R B -1.8838
332 Q B -0.5090
333 I B 0.1317
334 G B -0.3467
335 A B -0.0859
336 S B 0.0624
337 L B 0.8139
338 N B -1.1260
339 D B -0.5993
340 D B -0.7890
341 I B 0.0000
342 L B 0.0000
343 F B 0.0000
344 G B 0.0000
345 V B 0.0000
346 F B 0.0000
347 A B 0.0000
348 Q B -0.1851
349 S B -0.2422
350 K B -1.0096
351 P B -0.7443
352 D B -1.9688
353 S B -0.3463
354 A B -0.3203
355 E B -1.8263
356 P B -0.2886
357 M B 0.2034
358 D B -1.3801
359 R B -0.7178
360 S B 0.0000
361 A B 0.0000
362 M B 0.0000
363 C B 0.0000
364 A B 0.0000
365 F B 0.0000
366 P B 0.0000
367 I B 0.0000
368 K B -0.5010
369 Y B 0.2365
370 V B 0.0000
371 N B 0.0000
372 D B -1.6180
373 F B 0.3211
374 F B 0.0000
375 N B -1.5763
376 K B -1.5737
377 I B 1.7140
382 N B -1.1166
383 V B 0.3247
384 R B -1.6534
385 C B -0.1547
386 L B 0.0000
387 Q B -0.1885
388 H B 0.0000
389 F B 0.6159
390 Y B 0.3800
391 G B -0.1909
392 P B -0.4448
393 N B -1.3050
409 C B 0.4092
410 E B -1.6903
415 E B -1.5936
416 Y B 1.0022
417 R B 0.0000
418 T B 0.0369
419 E B 0.0000
420 F B 0.0000
421 T B -0.0399
422 T B -0.0737
423 A B -0.0012
424 L B 0.0000
425 Q B -1.0041
426 R B -0.5431
427 V B 0.5418
428 D B 0.0000
429 L B 0.0000
430 F B 0.0000
431 M B 0.3864
432 G B -0.1249
433 Q B -0.4532
434 F B 0.0000
435 S B -0.4167
436 E B -1.7353
437 V B 0.0513
438 L B 0.0385
439 L B 0.0000
440 T B 0.0000
441 S B 0.0000
442 I B 0.0000
443 S B 0.0000
444 T B 0.0000
445 F B 0.0000
446 I B 0.3959
447 K B -0.2505
448 G B -0.7761
449 D B -1.4688
450 L B 0.2793
451 T B 0.0000
452 I B 0.0000
453 A B 0.0000
454 N B 0.0000
455 L B 0.0000
456 G B 0.0000
457 T B 0.0000
458 S B -0.3841
459 E B -1.8272
460 G B 0.0000
461 R B -0.6294
462 F B 0.0000
463 M B 0.0000
464 Q B 0.0000
465 V B 0.0000
466 V B 0.3453
467 V B 0.0000
468 S B -0.1929
469 R B -0.9706
470 S B -0.4569
471 G B -0.4998
472 P B -0.2582
473 S B -0.1667
474 T B -0.1017
475 P B -0.2352
476 H B -0.9485
477 V B -0.0731
478 N B -0.9284
479 F B 0.2014
480 L B 0.8849
481 L B 0.2346
482 D B -0.4780
483 S B -0.4706
484 H B -1.0529
485 P B -0.3256
486 V B 0.0000
487 S B -0.0641
488 P B -0.2564
489 E B -0.4982
490 V B 0.1784
491 I B 0.3078
492 V B 0.1489
493 E B -0.8257
494 H B -1.1351
495 T B 0.0237
496 L B 1.3117
497 N B -1.2103
498 Q B -1.6099
499 N B -1.3042
500 G B -0.4149
501 Y B 0.0000
502 T B 0.0000
503 L B 0.0000
504 V B 0.0000
505 I B 0.0000
506 T B 0.0000
507 G B -0.2553
508 K B -1.1140
509 K B -0.5176
510 I B 0.0000
511 T B 0.0000
512 K B -0.1926
513 I B 0.0000
514 P B -0.1393
515 L B 0.0000
516 N B -1.3559
517 G B -0.6927
1 Q C -1.1983
2 L C 0.0000
3 Q C -1.1983
4 L C 0.0000
5 Q C -1.1983
6 E C 0.0000
7 S C -0.1675
8 G C -0.1861
9 P C -0.1293
10 G C 0.0000
11 L C 0.2565
12 V C 0.0000
13 K C -1.7247
14 P C -0.4815
15 S C -0.4087
16 E C -0.8463
17 T C -0.2099
18 L C 0.0000
19 S C -0.2432
20 L C 0.0000
21 T C -0.0210
22 C C 0.0000
23 T C -0.0596
24 V C 0.0000
25 S C -0.2970
26 G C -0.5268
27 G C -0.2344
28 S C -0.1760
29 I C 0.0000
30 S C -0.2213
31 S C -0.1234
32 S C -0.0528
33 V C 0.9479
34 Y C 0.3486
35 Y C 0.0000
36 W C 0.0000
37 S C 0.0000
38 W C 0.0000
39 I C 0.0000
40 R C 0.0000
41 Q C -0.1654
42 P C -0.1294
43 P C -0.3352
44 G C -0.8123
45 K C -1.8661
46 G C -0.5198
47 L C 1.1192
48 E C -0.5553
49 W C 0.2642
50 I C 0.0000
51 G C 0.0000
52 V C 0.0000
53 I C 0.0000
54 Y C 0.0000
55 P C -0.2236
56 S C -0.3173
57 G C -0.6739
58 N C -1.2421
59 T C -0.1066
60 Y C 0.7993
61 Y C 0.3109
62 S C -0.0411
63 P C -0.4677
64 S C -0.2580
65 L C 0.0000
66 K C -1.6699
67 S C -0.5686
68 R C -0.4580
69 V C 0.0000
70 T C -0.1786
71 I C 0.0000
72 S C -0.0118
73 V C 0.5830
74 D C -0.5013
75 T C -0.2190
76 S C -0.5254
77 K C -1.7909
78 N C -0.6477
79 Q C -0.3111
80 F C 0.0000
81 S C -0.0369
82 L C 0.0000
83 K C -1.3451
84 L C 0.0000
85 S C -0.1603
86 S C -0.2567
87 V C 0.0000
88 T C -0.0299
89 A C 0.0616
90 A C 0.0688
91 D C 0.0000
92 T C -0.0139
93 A C 0.0000
94 V C 0.3497
95 Y C 0.0000
96 Y C 0.1944
97 C C 0.0000
98 A C 0.0000
99 R C -0.2507
100 T C 0.0000
101 I C 0.0000
102 Y C -0.0922
103 D C -1.2749
104 L C 0.9220
105 F C 0.7346
106 D C -0.5508
107 I C 0.1689
108 W C 0.5840
109 G C -0.1593
110 Q C -1.2066
111 G C 0.0000
112 T C 0.0149
113 M C 0.1694
114 V C 0.0000
115 T C 0.0000
116 V C 0.0000
117 S C -0.0750
118 S C -0.2119
119 A C -0.0336
120 S C -0.2120
121 T C -0.2996
122 K C -1.2791
123 G C -0.3886
124 P C -0.0739
125 S C -0.0971
126 V C 0.0000
127 F C 1.0794
128 P C 0.1123
129 L C 0.4557
130 A C 0.1442
131 P C 0.0000
132 S C -0.1955
133 S C -0.5405
134 K C -1.7374
140 T C -0.1017
141 A C -0.0190
142 A C 0.0517
143 L C 0.0000
144 G C 0.0000
145 C C 0.0000
146 L C 0.3858
147 V C 0.0000
148 K C -0.6171
149 D C -0.7443
150 Y C 0.0000
151 F C 0.0000
152 P C 0.0000
153 E C -0.5120
154 P C -0.3626
155 V C 0.0000
156 T C -0.0380
157 V C 0.1529
158 S C -0.0650
159 W C 0.0000
160 N C -0.3715
161 S C -0.3410
162 G C -0.4159
163 A C 0.0294
164 L C 0.2230
165 T C -0.0686
166 S C -0.3092
167 G C -0.4270
168 V C 0.1936
169 H C -0.8154
170 T C -0.0398
171 F C 0.8215
172 P C -0.0925
173 A C 0.2931
174 V C 2.0590
175 L C 1.8453
176 Q C -0.0094
177 S C -0.2945
178 S C -0.3000
179 G C -0.2780
180 L C 0.1738
181 Y C 0.3652
182 S C 0.0000
183 L C 0.0000
184 S C 0.0084
185 S C 0.0000
186 V C 0.4209
187 V C 0.0000
188 T C -0.0556
189 V C 0.0000
190 P C -0.2681
191 S C -0.2888
192 S C -0.2506
193 S C 0.0000
194 L C 0.1176
195 G C -0.4432
196 T C -0.3668
197 Q C -1.2218
198 T C -0.2729
199 Y C 0.0000
200 I C 0.2419
201 C C 0.0000
202 N C -0.3422
203 V C 0.0000
204 N C -0.8804
205 H C 0.0000
206 K C -1.7071
207 P C -0.3527
208 S C -0.3004
209 N C -1.2877
210 T C -0.5457
211 K C -1.6893
212 V C -0.0234
213 D C -1.4878
214 K C -1.0837
215 K C -1.6057
216 V C 0.0000
217 E C -1.8354
218 P C -0.7152
219 K C -1.7153
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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
VR188B -1.7343 -0.0078 View CSV PDB
LR175C -0.4098 -0.0071 View CSV PDB
VK174C -0.3734 -0.0067 View CSV PDB
VR174C -0.1472 -0.0071 View CSV PDB
LK175C -0.058 -0.0069 View CSV PDB
VK111B -0.0623 -0.0063 View CSV PDB
LK180B -0.0951 -0.0053 View CSV PDB
VR111B 0.0314 -0.0066 View CSV PDB
IK377B 0.1038 -0.005 View CSV PDB
IR377B 0.2142 -0.0071 View CSV PDB
LR180B 0.2084 -0.0057 View CSV PDB
VK188B 0.4274 -0.0075 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018