Project name: 66cbf5f1ce94ab6

Status: done

Started: 2026-06-22 15:11:41
Settings
Chain sequence(s) A: DTLCIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDKHNGKLCKLRGVAPLHLGKCNIAGWILGNPECESLSTASSWSYIVETSNSDNGTCYPGDFINYEELREQLSSVSSFERFEIFPKTSSWPNHSSNKGVTAACPHAGATSFYKNLIWLVKKGNSYPKLNKSYINNKGKEVLVLWGIHHPSTSADQLSLYQNADAYVFVGSSRYSKKFKPEIAIRPKVRDQEGRMNYYWTLVEPGDKITFEATGNLVVPRYAFAMERGAGSGIIISDTPVHDCDTTCQTPKGAINTSLPFQNIHPITIGKCPKYVKSTKLRLATGLRNVPSIQSRGLFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDKITNKVNSVIEKMNTLFTAVGKEFNHLEKRIENLNKKVDDGFLDIWTYNAELLVLLENERTLDYHDSNVKNLYEKVRNQLKNNAKEIGGGCFEFYHKCDNCCMESVKNGTYNYPKYSEEAKLNREEII
C: DTLCIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDKHNGKLCKLRGVAPLHLGKCNIAGWILGNPECESLSTASSWSYIVETSNSDNGTCYPGDFINYEELREQLSSVSSFERFEIFPKTSSWPNHSSNKGVTAACPHAGATSFYKNLIWLVKKGNSYPKLNKSYINNKGKEVLVLWGIHHPSTSADQLSLYQNADAYVFVGSSRYSKKFKPEIAIRPKVRDQEGRMNYYWTLVEPGDKITFEATGNLVVPRYAFAMERGAGSGIIISDTPVHDCDTTCQTPKGAINTSLPFQNIHPITIGKCPKYVKSTKLRLATGLRNVPSIQSRGLFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDKITNKVNSVIEKMNTLFTAVGKEFNHLEKRIENLNKKVDDGFLDIWTYNAELLVLLENERTLDYHDSNVKNLYEKVRNQLKNNAKEIGGGCFEFYHKCDNCCMESVKNGTYNYPKYSEEAKLNREEII
B: DTLCIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDKHNGKLCKLRGVAPLHLGKCNIAGWILGNPECESLSTASSWSYIVETSNSDNGTCYPGDFINYEELREQLSSVSSFERFEIFPKTSSWPNHSSNKGVTAACPHAGATSFYKNLIWLVKKGNSYPKLNKSYINNKGKEVLVLWGIHHPSTSADQLSLYQNADAYVFVGSSRYSKKFKPEIAIRPKVRDQEGRMNYYWTLVEPGDKITFEATGNLVVPRYAFAMERGAGSGIIISDTPVHDCDTTCQTPKGAINTSLPFQNIHPITIGKCPKYVKSTKLRLATGLRNVPSIQSRGLFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDKITNKVNSVIEKMNTLFTAVGKEFNHLEKRIENLNKKVDDGFLDIWTYNAELLVLLENERTLDYHDSNVKNLYEKVRNQLKNNAKEIGGGCFEFYHKCDNCCMESVKNGTYNYPKYSEEAKLNREEII
input PDB
Selected Chain(s) A,C,B
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:41:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:42:21)
Show buried residues

Minimal score value
-3.4521
Maximal score value
2.18
Average score
-0.7466
Total score value
-1122.1342

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 D A -2.1323
2 T A -0.9103
3 L A 0.0000
4 C A 0.0000
5 I A 0.0000
6 G A 0.0000
7 Y A 0.0000
8 H A -0.0182
9 A A 0.0000
10 N A -0.9388
11 N A -1.5023
12 S A -1.1703
13 T A -1.0287
14 D A -1.2660
15 T A -1.4865
16 V A 0.0000
17 D A -2.1114
18 T A 0.0000
19 V A -0.4115
20 L A 0.0000
21 E A -2.0372
22 K A -2.9269
23 N A -2.4507
24 V A 0.0000
25 T A -1.0995
26 V A 0.0000
27 T A 0.0000
28 H A -1.2224
29 S A -0.6728
30 V A -0.1816
31 N A -1.0479
32 L A 0.0000
33 L A 0.0000
34 E A -2.0188
35 D A -3.1495
36 K A -3.4058
37 H A -2.6824
38 N A -1.9052
39 G A -1.4513
40 K A -1.7541
41 L A 0.0000
42 C A 0.0000
43 K A -1.8405
44 L A -1.5895
45 R A -2.2192
46 G A -1.4896
47 V A -0.2025
48 A A -0.5481
49 P A 0.1080
50 L A 0.0000
51 H A -0.4365
52 L A 0.0000
53 G A -1.7680
54 K A -2.9905
55 C A 0.0000
56 N A -1.1954
57 I A 0.0000
58 A A 0.0000
59 G A 0.0000
60 W A 0.0000
61 I A 0.0000
62 L A 0.0000
63 G A 0.0000
64 N A 0.0000
65 P A 0.0000
66 E A -2.7851
67 C A 0.0000
68 E A -1.7119
69 S A -0.9525
70 L A -0.5879
71 S A -0.7410
72 T A -0.6088
73 A A -0.5294
74 S A -0.8858
75 S A -0.6145
76 W A 0.0000
77 S A -0.2799
78 Y A 0.0000
79 I A 0.0000
80 V A 0.0000
81 E A 0.0000
82 T A -1.5920
83 S A -1.5622
84 N A -2.4424
85 S A -2.4007
86 D A -3.0006
87 N A -2.1702
88 G A 0.0000
89 T A -0.5937
90 C A 0.0000
91 Y A 0.0000
92 P A 0.0000
93 G A -1.3266
94 D A -2.0954
95 F A 0.0000
96 I A -0.2618
97 N A -0.6890
98 Y A -0.4082
99 E A -0.6333
100 E A 0.0000
101 L A 0.0000
102 R A 0.0000
103 E A 0.0000
104 Q A -0.3981
105 L A 0.0000
106 S A 0.0000
107 S A -0.7220
108 V A 0.0000
109 S A -0.9241
110 S A -1.4256
111 F A 0.0000
112 E A -2.5413
113 R A -1.5435
114 F A -0.9086
115 E A -0.9122
116 I A -0.1856
117 F A 0.0000
118 P A -0.7293
119 K A -1.2013
120 T A -0.7552
121 S A -0.5290
122 S A 0.0000
123 W A 0.0000
124 P A -1.2500
125 N A -2.2094
126 H A 0.0000
127 S A -2.0931
128 S A -1.7156
129 N A -2.0619
130 K A -2.2927
131 G A 0.0000
132 V A 0.1630
133 T A 0.0000
134 A A -0.4689
135 A A 0.0000
136 C A 0.0000
137 P A -0.7036
138 H A -1.2830
139 A A -0.7224
140 G A -0.6335
141 A A -0.2780
142 T A -0.1786
143 S A -0.3490
144 F A 0.0000
145 Y A 0.0000
146 K A -0.9987
147 N A 0.0000
148 L A 0.0000
149 I A 0.0000
150 W A 0.0000
151 L A 0.0000
152 V A 0.0000
153 K A -2.1602
154 K A -3.1111
155 G A -2.2575
156 N A -2.2003
157 S A -2.0813
158 Y A 0.0000
159 P A -1.9011
160 K A -2.2289
161 L A 0.0000
162 N A -1.9034
163 K A -1.0645
164 S A -0.3830
165 Y A 0.2309
166 I A 0.1145
167 N A 0.0000
168 N A -2.2821
169 K A -2.6355
170 G A -2.2696
171 K A -2.8605
172 E A -2.2652
173 V A 0.0000
174 L A 0.0000
175 V A 0.0000
176 L A 0.0000
177 W A 0.0000
178 G A 0.0000
179 I A 0.0000
180 H A 0.0000
181 H A -0.3574
182 P A 0.0000
183 S A 0.0000
184 T A 0.2444
185 S A -0.1914
186 A A -0.1514
187 D A -0.5260
188 Q A 0.0000
189 L A -0.2149
190 S A -0.3970
191 L A -0.7417
192 Y A 0.0000
193 Q A -1.3872
194 N A -1.3187
195 A A -0.9425
196 D A -2.0473
197 A A 0.0000
198 Y A -1.2154
199 V A 0.0000
200 F A 0.0000
201 V A 0.0000
202 G A 0.0000
203 S A 0.0000
204 S A -1.5936
205 R A -2.3241
206 Y A -1.2238
207 S A -1.4540
208 K A -1.6474
209 K A -1.6106
210 F A -1.2887
211 K A -1.9861
212 P A 0.0000
213 E A -0.4897
214 I A 0.2099
215 A A 0.0000
216 I A 1.4638
217 R A 0.0000
218 P A -1.2205
219 K A -2.6301
220 V A -1.9981
221 R A -2.7244
222 D A -3.2131
223 Q A -2.2268
224 E A -1.5759
225 G A 0.0000
226 R A -0.7855
227 M A 0.0000
228 N A -0.8431
229 Y A 0.0000
230 Y A 0.0144
231 W A 0.3222
232 T A 0.0937
233 L A -0.1665
234 V A 0.0000
235 E A -2.6067
236 P A -2.1928
237 G A -1.6626
238 D A 0.0000
239 K A -1.1066
240 I A 0.0000
241 T A -0.4474
242 F A 0.0000
243 E A 0.0000
244 A A 0.0000
245 T A -1.2728
246 G A 0.0000
247 N A 0.0000
248 L A 0.0000
249 V A 0.0000
250 V A 0.0000
251 P A 0.0000
252 R A -0.6580
253 Y A -0.7018
254 A A 0.0000
255 F A 0.0000
256 A A 0.0000
257 M A 0.0000
258 E A -2.6319
259 R A -2.0735
260 G A -1.1132
261 A A -0.4647
262 G A -0.5088
263 S A 0.0000
264 G A 0.0000
265 I A 0.0374
266 I A 0.0000
267 I A -0.1821
268 S A 0.0000
269 D A -2.0593
270 T A -1.1954
271 P A -0.6261
272 V A -0.1438
273 H A -1.3658
274 D A -2.3368
275 C A -2.1626
276 D A -2.8223
277 T A -1.8836
278 T A -1.7184
279 C A 0.0000
280 Q A 0.0000
281 T A 0.0000
282 P A -0.8196
283 K A -1.8990
284 G A 0.0000
285 A A 0.0000
286 I A 0.0000
287 N A -2.0201
288 T A -1.0983
289 S A -0.7048
290 L A -0.6518
291 P A 0.0000
292 F A 0.0000
293 Q A 0.0000
294 N A -1.8114
295 I A 0.0000
296 H A -0.8562
297 P A -0.4337
298 I A 0.0053
299 T A 0.0000
300 I A 0.0000
301 G A -0.9341
302 K A -1.6316
303 C A 0.0000
304 P A 0.0000
305 K A 0.0000
306 Y A -0.2202
307 V A 0.0000
308 K A -1.6987
309 S A 0.0000
310 T A -1.7098
311 K A -2.3195
312 L A 0.0000
313 R A -1.3541
314 L A 0.0000
315 A A 0.0000
316 T A -0.2223
317 G A 0.0000
318 L A 0.0000
319 R A -0.7849
320 N A 0.0000
321 V A 0.6664
322 P A 0.0029
323 S A 0.5505
324 I A 1.0371
325 Q A -0.7792
326 S A -0.7264
327 R A -1.2689
328 G A -0.1289
329 L A 1.7264
330 F A 2.1700
331 G A 0.3468
332 A A 0.1583
333 I A -0.3859
334 A A -0.0177
335 G A 0.0000
336 F A 0.3899
337 I A 1.1825
338 E A -0.5119
339 G A 0.0000
340 G A 0.0000
341 W A 0.0000
342 T A -0.1229
343 G A -0.2137
344 M A 0.0000
345 V A 0.7890
346 D A -0.6763
347 G A 0.0000
348 W A 0.0956
349 Y A 0.0000
350 G A 0.0000
351 Y A 0.0000
352 H A 0.0000
353 H A -0.9328
354 Q A -1.7641
355 N A -2.7776
356 E A -3.4133
357 Q A -2.9277
358 G A -2.0850
359 S A -1.2713
360 G A -0.4214
361 Y A 0.3285
362 A A 0.0013
363 A A 0.0000
364 D A 0.0000
365 L A -0.3922
366 K A -1.7680
367 S A -1.2042
368 T A 0.0000
369 Q A -1.9314
370 N A -2.3388
371 A A 0.0000
372 I A -0.9488
373 D A -1.8912
374 K A -1.6245
375 I A 0.0000
376 T A -0.9629
377 N A -1.4869
378 K A 0.0000
379 V A -0.8101
380 N A -1.5384
381 S A -1.6848
382 V A 0.0000
383 I A -1.2235
384 E A -2.3721
385 K A -1.7618
386 M A 0.0000
387 N A -1.4824
388 T A -1.0395
389 L A -0.5784
390 F A 0.0000
391 T A -0.1832
392 A A 0.5165
393 V A 1.0377
394 G A -0.0022
395 K A -0.8818
396 E A -1.5531
397 F A -1.3773
398 N A -1.4526
399 H A -1.8217
400 L A 0.0000
401 E A -1.8128
402 K A -2.0233
403 R A -1.4241
404 I A 0.0000
405 E A -1.8497
406 N A -1.6862
407 L A 0.0000
408 N A 0.0000
409 K A -3.0517
410 K A -2.3622
411 V A 0.0000
412 D A -3.1557
413 D A -3.0814
414 G A -1.9079
415 F A 0.0000
416 L A -1.2445
417 D A -1.0860
418 I A 0.0000
419 W A 0.0000
420 T A 0.0000
421 Y A 0.0000
422 N A 0.0000
423 A A 0.0000
424 E A -0.7453
425 L A 0.0000
426 L A 0.0000
427 V A 0.0000
428 L A -0.3297
429 L A 0.0843
430 E A 0.0000
431 N A 0.0000
432 E A 0.0000
433 R A -0.8517
434 T A 0.0000
435 L A 0.0000
436 D A -1.5065
437 Y A -1.0771
438 H A 0.0000
439 D A -2.4072
440 S A -1.5749
441 N A -1.4691
442 V A 0.0000
443 K A -1.4596
444 N A -1.8242
445 L A 0.0000
446 Y A 0.0000
447 E A -1.5262
448 K A -1.4816
449 V A 0.0000
450 R A -1.1729
451 N A -0.9435
452 Q A 0.0000
453 L A 0.0000
454 K A -0.8702
455 N A -0.9712
456 N A 0.0000
457 A A 0.0000
458 K A -0.7645
459 E A -0.4303
460 I A 0.4365
461 G A 0.0001
462 G A 0.2941
463 G A 0.0000
464 C A 0.0000
465 F A 0.0000
466 E A -0.9350
467 F A 0.0000
468 Y A 0.0000
469 H A 0.0000
470 K A -2.6175
471 C A 0.0000
472 D A -2.7544
473 N A -2.5964
474 C A -0.8115
475 C A 0.0000
476 M A 0.0000
477 E A -2.4677
478 S A -1.8491
479 V A 0.0000
480 K A -1.5690
481 N A -2.0789
482 G A -1.6412
483 T A -1.2950
484 Y A 0.0000
485 N A -1.9102
486 Y A 0.0000
487 P A -1.4183
488 K A -2.4724
489 Y A -1.9815
490 S A 0.0000
491 E A -1.8837
492 E A -2.0312
493 A A 0.0000
494 K A -1.5749
495 L A -1.0342
496 N A -1.4491
497 R A -1.3675
498 E A -2.2344
499 E A -1.5486
500 I A 0.4249
501 I A -0.5891
1 D B -2.1227
2 T B -0.8769
3 L B 0.0000
4 C B 0.0000
5 I B 0.0000
6 G B 0.0000
7 Y B 0.0000
8 H B 0.0172
9 A B 0.0000
10 N B -0.9052
11 N B -1.4403
12 S B -1.0612
13 T B -0.8940
14 D B -0.9855
15 T B -1.3352
16 V B 0.0000
17 D B -1.9134
18 T B 0.0000
19 V B 0.0000
20 L B 0.0000
21 E B -1.8813
22 K B -2.8314
23 N B -2.3957
24 V B 0.0000
25 T B -0.9589
26 V B 0.0000
27 T B 0.0000
28 H B -1.1339
29 S B 0.0000
30 V B -0.0234
31 N B -0.8545
32 L B 0.0000
33 L B 0.0000
34 E B -1.9703
35 D B -3.1119
36 K B -3.3802
37 H B -2.6392
38 N B -1.8193
39 G B -1.4143
40 K B -1.7301
41 L B 0.0000
42 C B 0.0000
43 K B -1.9760
44 L B -1.6486
45 R B -2.2603
46 G B -1.3717
47 V B -0.2662
48 A B -0.6169
49 P B 0.0684
50 L B 0.0000
51 H B -0.4387
52 L B 0.0000
53 G B -1.7746
54 K B -2.9953
55 C B 0.0000
56 N B -1.1789
57 I B 0.0000
58 A B 0.0000
59 G B 0.0000
60 W B 0.0000
61 I B 0.0000
62 L B 0.0000
63 G B 0.0000
64 N B 0.0000
65 P B 0.0000
66 E B -2.7587
67 C B 0.0000
68 E B -1.6973
69 S B -0.9504
70 L B -0.5909
71 S B -0.7851
72 T B -0.6449
73 A B -0.5589
74 S B -0.9179
75 S B -0.6476
76 W B 0.0000
77 S B -0.3055
78 Y B 0.0000
79 I B 0.0000
80 V B 0.0000
81 E B 0.0000
82 T B -1.5050
83 S B -1.4860
84 N B -2.4104
85 S B -2.4017
86 D B -2.9984
87 N B -2.1694
88 G B 0.0000
89 T B -0.5942
90 C B 0.0000
91 Y B 0.0000
92 P B 0.0000
93 G B -1.2862
94 D B -2.0262
95 F B 0.0000
96 I B -0.2887
97 N B -0.8691
98 Y B -0.6819
99 E B -1.1970
100 E B 0.0000
101 L B 0.0000
102 R B -0.8340
103 E B 0.0000
104 Q B -0.4503
105 L B 0.0000
106 S B 0.0000
107 S B -0.7913
108 V B 0.0000
109 S B -0.9877
110 S B -1.5363
111 F B 0.0000
112 E B -2.8816
113 R B -1.9683
114 F B -1.5081
115 E B -2.0807
116 I B -0.6855
117 F B 0.0000
118 P B -0.8419
119 K B -1.0126
120 T B -0.5815
121 S B -0.4294
122 S B 0.0000
123 W B 0.0000
124 P B -1.1781
125 N B -2.1495
126 H B 0.0000
127 S B 0.0000
128 S B 0.0000
129 N B -2.1421
130 K B -2.2562
131 G B 0.0000
132 V B 0.1255
133 T B 0.0000
134 A B -0.4554
135 A B 0.0000
136 C B 0.0000
137 P B -0.6403
138 H B -1.1398
139 A B -0.6789
140 G B -0.6003
141 A B -0.2482
142 T B -0.1607
143 S B -0.3342
144 F B 0.0000
145 Y B 0.0000
146 K B -0.9770
147 N B 0.0000
148 L B 0.0000
149 I B 0.0000
150 W B 0.0000
151 L B 0.0000
152 V B 0.0000
153 K B -2.0152
154 K B -3.0281
155 G B -2.1551
156 N B -2.1250
157 S B -1.9938
158 Y B 0.0000
159 P B -1.8714
160 K B -2.2239
161 L B 0.0000
162 N B -1.9617
163 K B -1.2146
164 S B -0.4482
165 Y B 0.0000
166 I B 0.2580
167 N B 0.0000
168 N B -2.2165
169 K B -2.5081
170 G B -2.2981
171 K B -3.0958
172 E B -2.4491
173 V B 0.0000
174 L B 0.0000
175 V B 0.0000
176 L B 0.0000
177 W B 0.0000
178 G B 0.0000
179 I B 0.0000
180 H B 0.0000
181 H B -0.3945
182 P B 0.0000
183 S B 0.0000
184 T B 0.1471
185 S B -0.2210
186 A B -0.1301
187 D B -0.5117
188 Q B 0.0000
189 L B -0.1254
190 S B -0.3185
191 L B -0.6034
192 Y B 0.0000
193 Q B -1.2901
194 N B -1.2633
195 A B -0.9056
196 D B -2.0403
197 A B 0.0000
198 Y B -1.1291
199 V B 0.0000
200 F B 0.0000
201 V B 0.0000
202 G B 0.0000
203 S B 0.0000
204 S B -1.6097
205 R B -2.3289
206 Y B -1.1775
207 S B -1.3358
208 K B -1.3825
209 K B -1.2706
210 F B -1.1016
211 K B -1.9234
212 P B -1.1412
213 E B -0.5770
214 I B 0.0954
215 A B 0.0000
216 I B 1.0795
217 R B 0.0000
218 P B -1.2612
219 K B -2.6593
220 V B -2.0449
221 R B -2.7637
222 D B -3.2119
223 Q B -2.2091
224 E B -1.5346
225 G B 0.0000
226 R B -0.7848
227 M B 0.0000
228 N B -0.8152
229 Y B 0.0000
230 Y B 0.0180
231 W B 0.3047
232 T B 0.0809
233 L B -0.2224
234 V B 0.0000
235 E B -2.6718
236 P B -2.2373
237 G B -1.6887
238 D B -1.4541
239 K B -1.0554
240 I B 0.0000
241 T B -0.4695
242 F B 0.0000
243 E B 0.0000
244 A B 0.0000
245 T B -1.2619
246 G B 0.0000
247 N B 0.0000
248 L B 0.0000
249 V B 0.0000
250 V B 0.0000
251 P B 0.0000
252 R B -1.0198
253 Y B -1.2175
254 A B 0.0000
255 F B 0.0000
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500 I C 0.5954
501 I C -0.4960
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Laboratory of Theory of Biopolymers 2018