Project name: 886662dc1b3789e

Status: done

Started: 2026-02-24 16:30:12
Chain sequence(s) A: ETSYIEDNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILLDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCS
C: TSYIEDNSNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSAL
B: QETSYIEDNSNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLRSLPALTNIIKILRHDITVHELSRDKKKDTVPWFPRTIQELDRFANQILSELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSAL
D: QETSYIEDNSGAISLIFSLKEEVGALAKVLRLFEENDTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDITVHELSRDKKKDTVPWFPRTIQELDRFANQIELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCS
input PDB
Selected Chain(s) A,C,B,D
Distance of aggregation 10 Å
FoldX usage No
pH calculations No
alphaCutter usage No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)
Show buried residues

Minimal score value
-4.2156
Maximal score value
2.0594
Average score
-0.6682
Total score value
-1119.917

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
21 E A -1.8055
22 T A -0.8997
23 S A -0.2617
24 Y A -0.5031
25 I A -0.1709
26 E A -1.7948
27 D A -1.7775
28 N A -1.8331
31 Q A -2.3374
32 N A -2.8888
33 G A -2.4526
34 A A 0.0000
35 I A 0.0000
36 S A 0.0000
37 L A 0.0000
38 I A 0.0000
39 F A 0.0000
40 S A -0.6775
41 L A 0.0000
42 K A -2.6453
43 E A -2.0025
44 E A -1.8653
45 V A 0.1722
46 G A -0.7428
47 A A 0.0000
48 L A 0.0000
49 A A -1.1844
50 K A -1.9861
51 V A 0.0000
52 L A -1.8540
53 R A -3.2437
54 L A -2.2139
55 F A 0.0000
56 E A -3.6676
57 E A -3.7078
58 N A -3.0030
59 D A -3.2911
60 V A -2.4175
61 N A -2.1778
62 L A -1.0234
63 T A -0.6035
64 H A -0.9793
65 I A 0.0000
66 E A -0.4964
67 S A 0.0000
68 R A 0.0000
69 P A -0.5865
70 S A -0.9444
71 R A -0.7178
72 L A -0.3462
73 K A 0.0000
74 K A -1.7047
75 D A -1.9844
76 E A -1.8869
77 Y A 0.0000
78 E A -0.6795
79 F A 0.0000
80 F A 0.0000
81 T A 0.0000
82 H A -0.6052
83 L A -1.0929
84 D A -2.3497
85 K A -2.8919
86 R A -2.8711
87 S A -1.3293
88 L A -0.6070
89 P A -0.6396
90 A A -1.0155
91 L A 0.0000
92 T A -0.8506
93 N A -1.6655
94 I A 0.0000
95 I A -1.7417
96 K A -2.9813
97 I A -1.9560
98 L A 0.0000
99 R A -3.0472
100 H A -2.9540
101 D A -2.6783
102 I A -1.3526
103 G A -1.6360
104 A A -1.2445
105 T A -0.7659
106 V A 0.0000
107 H A -0.6627
108 E A -0.8555
109 L A 0.0000
110 S A 0.0000
111 R A 0.0000
112 D A -3.5089
113 K A -3.7899
114 K A -3.6505
115 K A -3.7242
116 D A -3.1556
117 T A -2.3933
118 V A -1.2960
119 P A -1.1097
120 W A 0.0000
121 F A 0.0000
122 P A -0.2690
123 R A 0.0000
124 T A 0.0000
125 I A 0.0000
126 Q A -1.3582
127 E A 0.0000
128 L A 0.0000
129 D A -1.2704
130 R A -0.9524
131 F A -0.2622
132 A A 0.0000
133 N A -0.3374
134 Q A -0.0801
135 I A 1.0406
136 L A 1.6303
142 L A 0.2768
143 D A -1.4746
144 A A -1.0775
145 D A -1.9529
146 H A -0.9615
147 P A -0.8022
148 G A 0.0000
149 F A 0.5973
150 K A -0.8428
151 D A -0.3733
152 P A -0.0867
153 V A 1.1544
154 Y A -0.2526
155 R A -1.2836
156 A A -1.3118
157 R A -1.2074
158 R A -2.0570
159 K A -3.1483
160 Q A -2.7255
161 F A 0.0000
162 A A -1.9611
163 D A -2.5940
164 I A -1.5611
165 A A 0.0000
166 Y A -0.7861
167 N A -1.7589
168 Y A 0.0000
169 R A -1.8971
170 H A -1.4927
171 G A -1.4699
172 Q A -1.6884
173 P A -1.4233
174 I A 0.0000
175 P A -1.1594
176 R A -2.3923
177 V A -1.6617
178 E A -2.2041
179 Y A 0.0000
180 M A -1.5892
181 E A -3.5265
182 E A -3.3692
183 E A -2.7754
184 K A -3.1759
185 K A -3.6215
186 T A 0.0000
187 W A 0.0000
188 G A -2.3918
189 T A -1.4499
190 V A 0.0000
191 F A 0.0000
192 K A -2.5377
193 T A -0.9269
194 L A 0.0000
195 K A -1.7828
196 S A -1.2445
197 L A 0.0000
198 Y A 0.0000
199 K A -1.9283
200 T A -1.0757
201 H A -0.6624
202 A A 0.0000
203 C A 0.0000
204 Y A -0.1160
205 E A -0.1770
206 Y A 0.0000
207 N A -0.7257
208 H A 0.0000
209 I A 0.0000
210 F A 0.0000
211 P A -0.6555
212 L A 0.0000
213 L A 0.0000
214 E A -1.7283
215 K A -1.8908
216 Y A -0.9371
217 C A 0.0000
218 G A -1.6208
219 F A 0.0000
220 H A -2.7628
221 E A -3.1829
222 D A -3.6588
223 N A -2.5974
224 I A 0.0000
225 P A 0.0000
226 Q A -1.2799
227 L A 0.0000
228 E A 0.0000
229 D A -1.5370
230 V A 0.0000
231 S A 0.0000
232 Q A -1.3544
233 F A 0.0000
234 L A 0.0000
235 Q A -0.6216
236 T A -0.5040
237 C A 0.0000
238 T A 0.0000
239 G A 0.0000
240 F A 0.0000
241 R A -0.5760
242 L A 0.0000
243 R A 0.0000
244 P A 0.0000
245 V A 0.0000
246 A A -0.4513
247 G A 0.5977
248 L A 1.3513
249 L A 0.0000
250 S A 0.0000
251 S A 0.0000
252 R A 0.0000
253 D A -0.0729
254 F A 0.5040
255 L A 0.0000
256 G A 0.0000
257 G A 0.0000
258 L A 0.0000
259 A A 0.0000
260 F A 0.0000
261 R A 0.0000
262 V A 0.0000
263 F A 0.0000
264 H A 0.0000
265 C A 0.0000
266 T A 0.0000
267 Q A 0.0000
268 Y A 0.0000
269 I A 0.0000
270 R A 0.0000
271 H A -0.7640
272 G A -1.7044
273 S A -0.8631
274 K A -1.3373
275 P A -0.5334
276 M A 0.9892
277 Y A 1.0105
278 T A 0.1501
279 P A -0.2698
280 E A -0.3470
281 P A -0.2228
282 D A 0.0000
283 I A 0.0000
284 C A 0.0000
285 H A -0.2176
286 E A 0.0000
287 L A 0.0000
288 L A 0.0000
289 G A 0.0000
290 H A 0.0000
291 V A 0.0000
292 P A 0.0000
293 L A 0.0000
294 F A 0.0000
295 S A 0.0000
296 D A 0.0000
297 R A -0.3848
298 S A 0.0000
299 F A 0.0000
300 A A 0.0000
301 Q A -0.3607
302 F A 0.0000
303 S A 0.0000
304 Q A 0.0000
305 E A -0.5388
306 I A 0.0000
307 G A 0.0000
308 L A 0.0000
309 A A 0.0000
310 S A 0.0000
311 L A 0.0000
312 G A 0.0000
313 A A 0.0000
314 P A -1.1399
315 D A -1.9567
316 E A -2.2706
317 Y A -1.2973
318 I A 0.0000
319 E A -1.4955
320 K A -1.0024
321 L A 0.0000
322 A A 0.0000
323 T A 0.0000
324 I A 0.0000
325 Y A 0.0000
326 W A 0.1494
327 F A 0.0000
328 T A 0.0000
329 V A 0.0000
330 E A -0.0991
331 F A 0.1909
332 G A 0.0000
333 L A 0.0000
334 C A 0.0000
335 K A -1.5544
336 Q A -1.5131
337 G A -1.8331
338 D A -2.1964
339 S A -1.1552
340 I A -0.4948
341 K A -0.1735
342 A A 0.0000
343 Y A 0.0000
344 G A 0.0000
345 A A 0.0000
346 G A 0.1487
347 L A 0.0000
348 L A 0.0000
349 S A 0.0759
350 S A 0.5278
351 F A 0.6850
352 G A 0.1517
353 E A 0.0000
354 L A 0.0000
355 Q A -0.5023
356 Y A -0.4890
357 C A 0.0000
358 L A -0.2150
359 S A -1.5629
360 E A -2.7510
361 K A -2.8045
362 P A 0.0000
363 K A -2.0079
364 L A -0.3062
365 L A 0.1980
366 P A -0.0771
367 L A 0.0000
368 E A -1.5030
369 L A 0.0000
370 E A -2.3525
371 K A -1.7669
372 T A 0.0000
373 A A 0.0000
374 I A 0.5594
375 Q A -0.6331
376 N A -1.3604
377 Y A 0.0000
378 T A -0.7914
379 V A 0.0541
380 T A -0.6562
381 E A -1.3245
382 F A -0.1197
383 Q A 0.0000
384 P A -0.8262
385 L A -0.5132
386 Y A 0.0000
387 Y A 0.0000
388 V A 0.0000
389 A A 0.0000
390 E A -1.6420
391 S A -1.2530
392 F A 0.0000
393 N A -1.4310
394 D A -1.6923
395 A A 0.0000
396 K A 0.0000
397 E A -1.8528
398 K A -1.6878
399 V A 0.0000
400 R A 0.0000
401 N A -1.5876
402 F A 0.0000
403 A A 0.0000
404 A A -0.3265
405 T A -0.3261
406 I A 0.0000
407 P A -0.4200
408 R A -0.4736
409 P A -0.4663
410 F A 0.0000
411 S A 0.0000
412 V A 0.0000
413 R A -0.4484
414 Y A 0.0000
415 D A 0.0000
416 P A -0.0398
417 Y A 0.0824
418 T A -0.0955
419 Q A -0.3575
420 R A 0.0000
421 I A 0.0000
422 E A -0.5095
423 V A 0.0000
424 L A 0.0000
425 D A -0.8061
426 N A -0.8949
427 T A -0.2350
428 Q A -0.5459
429 Q A 0.0000
430 L A 0.0973
431 K A 0.0338
432 I A 0.2560
433 L A 0.1042
434 A A -0.2980
435 D A -0.7350
436 S A -0.4640
437 I A -0.2089
438 N A -0.4667
439 S A -0.7112
440 E A -0.4066
441 I A 0.4971
442 G A 0.5258
443 I A 1.6294
444 L A 1.9137
445 C A 0.8290
446 S A 0.5549
20 Q B -2.2088
21 E B -2.3989
22 T B -1.4049
23 S B -0.6097
24 Y B -0.7999
25 I B -0.5028
26 E B -2.4478
27 D B -2.1529
28 N B -2.1459
29 S B -1.6734
32 N B -2.0756
33 G B -1.7849
34 A B 0.0000
35 I B -0.4334
36 S B 0.0000
37 L B 0.0000
38 I B 0.0000
39 F B 0.0000
40 S B -0.2518
41 L B -0.3072
42 K B -1.4969
43 E B -1.4293
44 E B -1.5805
45 V B 0.2945
46 G B -0.4143
47 A B 0.0000
48 L B -0.3940
49 A B -0.7130
50 K B -1.1988
51 V B 0.0000
52 L B 0.0000
53 R B -3.1301
54 L B -2.2474
55 F B 0.0000
56 E B -4.2156
57 E B -3.9286
58 N B -3.0723
59 D B -3.2761
60 V B 0.0000
61 N B -2.4296
62 L B -1.2301
63 T B -0.6949
64 H B -1.0130
65 I B 0.0000
66 E B -0.6704
67 S B 0.0000
68 R B 0.0000
69 P B -0.5905
70 S B 0.0000
71 R B -0.6299
72 L B -0.4098
73 K B -1.8006
74 K B -1.5515
75 D B -1.7071
76 E B -1.6476
77 Y B 0.0000
78 E B -0.4372
79 F B 0.0000
80 F B -0.1694
81 T B 0.0000
82 H B -0.3333
83 L B 0.0000
86 R B -1.8289
87 S B -0.6485
88 L B 0.8311
89 P B 0.0419
90 A B -0.7031
91 L B 0.0000
92 T B -0.2489
93 N B -0.8965
94 I B 0.0000
95 I B -1.1556
96 K B -2.3523
97 I B -1.0956
98 L B 0.0000
99 R B -2.0028
100 H B -2.1721
101 D B -1.9918
102 I B -0.1063
105 T B -0.2058
106 V B 0.0000
107 H B -0.4571
108 E B -0.6255
109 L B 0.0000
110 S B 0.0000
111 R B 0.0000
112 D B -3.3184
113 K B -3.3333
114 K B -3.8648
115 K B -3.8003
116 D B -3.1719
117 T B -2.3838
118 V B -1.3470
119 P B 0.0000
120 W B 0.0000
121 F B 0.0000
122 P B -0.4344
123 R B 0.0000
124 T B -0.6473
125 I B 0.0000
126 Q B -1.6909
127 E B -1.2014
128 L B 0.0000
129 D B -1.4970
130 R B -1.1895
131 F B -0.8869
132 A B -0.7756
133 N B -0.9470
134 Q B -0.6877
135 I B 0.5892
136 L B 1.3373
137 S B 0.6628
141 E B -0.7064
142 L B 0.2166
143 D B -1.6013
144 A B -1.4587
145 D B -2.2774
146 H B 0.0000
147 P B -1.2364
148 G B 0.0000
149 F B -1.0002
150 K B -1.7612
151 D B -0.8348
152 P B -0.1379
153 V B 1.0966
154 Y B 0.0000
155 R B -0.8546
156 A B -0.6196
157 R B -0.7590
158 R B 0.0000
159 K B -2.3710
160 Q B -2.1950
161 F B 0.0000
162 A B -1.6364
163 D B -2.3992
164 I B -1.5168
165 A B 0.0000
166 Y B -1.0460
167 N B -1.7532
168 Y B 0.0000
169 R B -1.9595
170 H B -1.5907
171 G B -1.3792
172 Q B -1.4675
173 P B -1.4281
174 I B 0.0000
175 P B -1.2329
176 R B -2.4807
177 V B 0.0000
178 E B -2.2740
179 Y B -1.6707
180 M B -1.7399
181 E B -3.5184
182 E B -3.2951
183 E B 0.0000
184 K B -3.1223
185 K B -3.5413
186 T B 0.0000
187 W B 0.0000
188 G B -2.4677
189 T B -1.3068
190 V B 0.0000
191 F B 0.0000
192 K B -2.7846
193 T B -1.1009
194 L B 0.0000
195 K B -2.3432
196 S B -1.5118
197 L B -1.1313
198 Y B 0.0000
199 K B -1.9958
200 T B -0.9117
201 H B -0.5870
202 A B 0.0000
203 C B 0.0000
204 Y B -0.1353
205 E B 0.0000
206 Y B 0.0000
207 N B -0.7043
208 H B 0.0000
209 I B 0.0000
210 F B 0.0000
211 P B -0.4955
212 L B 0.0000
213 L B 0.0000
214 E B -1.3357
215 K B -0.9134
216 Y B -0.3908
217 C B 0.0000
218 G B -1.3362
219 F B 0.0000
220 H B -2.7483
221 E B -3.4708
222 D B -3.7359
223 N B -2.6862
224 I B 0.0000
225 P B 0.0000
226 Q B -1.2778
227 L B 0.0000
228 E B -1.4772
229 D B -1.4629
230 V B 0.0000
231 S B 0.0000
232 Q B -1.3735
233 F B 0.0000
234 L B 0.0000
235 Q B -0.6152
236 T B -0.4005
237 C B -0.2670
238 T B 0.0000
239 G B 0.0000
240 F B 0.0000
241 R B -0.5924
242 L B 0.0000
243 R B 0.0000
244 P B 0.0000
245 V B 0.0000
246 A B -0.3079
247 G B 0.4323
248 L B 1.0805
249 L B 0.0000
250 S B 0.0000
251 S B 0.0000
252 R B 0.0000
253 D B -0.2183
254 F B 0.3693
255 L B 0.0000
256 G B 0.0000
257 G B 0.0000
258 L B 0.0000
259 A B 0.0000
260 F B 0.0000
261 R B 0.0000
262 V B 0.0000
263 F B 0.0000
264 H B 0.0000
265 C B 0.0000
266 T B 0.0000
267 Q B 0.0000
268 Y B 0.0000
269 I B 0.0000
270 R B 0.0000
271 H B -0.7912
272 G B -1.4126
273 S B -0.9083
274 K B -1.2130
275 P B -0.3581
276 M B 1.1241
277 Y B 1.1525
278 T B 0.2440
279 P B -0.2988
280 E B -0.1989
281 P B -0.1611
282 D B 0.0000
283 I B 0.0000
284 C B 0.0000
285 H B -0.1992
286 E B 0.0000
287 L B 0.0000
288 L B 0.0000
289 G B 0.0000
290 H B 0.0000
291 V B 0.0000
292 P B 0.0000
293 L B 0.0000
294 F B 0.0000
295 S B 0.0000
296 D B 0.0000
297 R B -0.4889
298 S B -0.6037
299 F B 0.0000
300 A B 0.0000
301 Q B -0.5070
302 F B 0.0000
303 S B 0.0000
304 Q B 0.0000
305 E B -0.6282
306 I B 0.0000
307 G B 0.0000
308 L B -0.1372
309 A B 0.0000
310 S B 0.0000
311 L B 0.0000
312 G B 0.0000
313 A B 0.0000
314 P B -1.3160
315 D B -2.5168
316 E B -2.5860
317 Y B -1.3258
318 I B 0.0000
319 E B -1.9332
320 K B -1.1738
321 L B 0.0000
322 A B 0.0000
323 T B 0.0000
324 I B 0.0000
325 Y B 0.0000
326 W B 0.0000
327 F B 0.0000
328 T B 0.0000
329 V B 0.0000
330 E B -0.1108
331 F B 0.2204
332 G B 0.0000
333 L B 0.0000
334 C B 0.0000
335 K B -2.2475
336 Q B -1.6738
337 G B -1.9426
338 D B -2.2278
339 S B -1.2234
340 I B -0.5688
341 K B -0.2419
342 A B 0.0000
343 Y B 0.0000
344 G B 0.0000
345 A B 0.0000
346 G B 0.0000
347 L B 0.0000
348 L B 0.0000
349 S B 0.0000
350 S B 0.5308
351 F B 0.6805
352 G B 0.2322
353 E B 0.0000
354 L B 0.0000
355 Q B -0.3076
356 Y B -0.4504
357 C B 0.0000
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415 D D 0.0000
416 P D -0.0717
417 Y D 0.0507
418 T D 0.0000
419 Q D -0.4289
420 R D 0.0000
421 I D 0.0000
422 E D 0.0000
423 V D 0.0000
424 L D 0.0000
425 D D -1.0678
426 N D -1.1275
427 T D -0.3931
428 Q D -0.5353
429 Q D 0.0000
430 L D -0.4217
431 K D -0.6081
432 I D -0.2062
433 L D 0.0000
434 A D -0.4586
435 D D -0.9271
436 S D -0.6845
437 I D -0.2876
438 N D -0.4146
439 S D -0.7130
440 E D -0.5060
441 I D 0.5144
442 G D 0.2872
443 I D 1.6859
444 L D 1.8490
445 C D 1.2185
446 S D 0.7801
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