Project name: 39894b34e4b3db0

Status: done

Started: 2026-04-20 18:45:51
Chain sequence(s) A: AVPGLRAAETLDESGGGLVSPGGSLTLVCKGSGFTFSSNEMYWVRQAPGKGLEWVAGITTGGYTGYAPAVKGRFTISRNNGQSTLTLQMNSLKAEDTATYYCAKITGYANCAGYGCAADIDLWGHGTEVTVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPATFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGSGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPEF
C: MAWAPLLLAVLAHTSGSLVQAALTQPASKSVNPGDTVQITCSGSSSDYGWFQQKTPGSAPVTVIYQNNKRPSGIPSRFSGSKSGSTATLTITGVQAEDEAVYYCGSYDSSYVGVFGAGTTLTVLGQPKVSPTVHVFPPSDEEISSQNKATLVCLMSDFYPSPVTVTWKVNGSTRSSGVETSASQRQSNSKYMASSYLTLSASEWKGANSVVCQVTHDGTPIEKTLNKSEC
B: AVPGLRAAETLDESGGGLVSPGGSLTLVCKGSGFTFSSNEMYWVRQAPGKGLEWVAGITTGGYTGYAPAVKGRFTISRNNGQSTLTLQMNSLKAEDTATYYCAKITGYANCAGYGCAADIDLWGHGTEVTVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPATFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGSGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPEF
D: MAWAPLLLAVLAHTSGSLVQAALTQPASKSVNPGDTVQITCSGSSSDYGWFQQKTPGSAPVTVIYQNNKRPSGIPSRFSGSKSGSTATLTITGVQAEDEAVYYCGSYDSSYVGVFGAGTTLTVLGQPKVSPTVHVFPPSDEEISSQNKATLVCLMSDFYPSPVTVTWKVNGSTRSSGVETSASQRQSNSKYMASSYLTLSASEWKGANSVVCQVTHDGTPIEKTLNKSEC
input PDB
Selected Chain(s) A,C,B,D
Distance of aggregation 10 Å
FoldX usage Yes
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]                                                (00:00:10)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:10)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:10)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:10)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:10)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:11:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:24)
Show buried residues

Minimal score value
-3.4417
Maximal score value
3.5303
Average score
-0.557
Total score value
-637.2525

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
1 A A 0.7667
2 V A 1.7730
3 P A 0.4850
4 G A 0.1649
5 L A 0.6593
6 R A -1.4582
7 A A -0.8684
8 A A -0.9698
9 E A -1.7688
10 T A -1.4294
11 L A 0.0000
12 D A -2.2666
13 E A 0.0000
14 S A -1.0492
15 G A -0.5272
16 G A -0.8235
17 G A -0.5890
18 L A -0.1121
19 V A -0.2308
20 S A -0.6312
21 P A -1.1883
22 G A -1.1147
23 G A -0.7778
24 S A -0.7076
25 L A -0.2131
26 T A -0.1888
27 L A 0.0000
28 V A -0.0691
29 C A 0.0000
30 K A -1.7026
31 G A 0.0000
32 S A -1.0334
33 G A -1.1055
34 F A -0.6749
35 T A -0.4110
36 F A 0.0000
37 S A -0.9189
38 S A -0.3170
39 N A 0.0000
40 E A 0.0000
41 M A 0.0000
42 Y A 0.0000
43 W A 0.0000
44 V A 0.0000
45 R A 0.0000
46 Q A -1.0560
47 A A -1.4646
48 P A -1.3725
49 G A -1.7179
50 K A -1.7686
51 G A -0.8717
52 L A 0.0000
53 E A -0.2868
54 W A 0.0000
55 V A 0.0000
56 A A 0.0000
57 G A 0.0000
58 I A 0.0000
59 T A 0.0000
60 T A -0.5934
61 G A -0.3718
62 G A -0.1033
63 Y A 1.0914
64 T A 0.5826
65 G A 0.3383
66 Y A -0.2975
67 A A 0.0000
68 P A -0.7852
69 A A -0.8550
70 V A 0.0000
71 K A -2.0466
72 G A -1.5287
73 R A -1.3275
74 F A 0.0000
75 T A -0.6808
76 I A 0.0000
77 S A -0.3528
78 R A -1.2269
79 N A -1.9293
80 N A -1.8916
81 G A -1.6671
82 Q A -2.0830
83 S A -1.5403
84 T A -1.4189
85 L A 0.0000
86 T A -0.2399
87 L A 0.0000
88 Q A -0.4467
89 M A 0.0000
90 N A -1.1323
91 S A -1.0893
92 L A 0.0000
93 K A -1.9947
94 A A -1.3932
95 E A -2.1758
96 D A 0.0000
97 T A 0.0000
98 A A 0.0000
99 T A -0.9653
100 Y A 0.0000
101 Y A 0.0000
102 C A 0.0000
103 A A 0.0000
104 K A 0.0000
105 I A 0.0000
106 T A 0.0000
107 G A -0.1255
108 Y A 0.7832
109 A A -0.1333
110 N A -0.9740
111 C A 0.0000
112 A A 0.1064
113 G A 0.0000
114 Y A 0.8274
115 G A 0.0000
116 C A 0.0000
117 A A 0.0000
118 A A 0.0000
119 D A 0.0000
120 I A 0.0000
121 D A -0.3459
122 L A 0.0567
123 W A 0.0000
124 G A 0.0000
125 H A -1.2854
126 G A -1.3025
127 T A 0.0000
128 E A -1.8253
129 V A 0.0000
130 T A 0.0000
131 V A 0.0000
132 S A -0.5658
133 S A -0.4152
134 G A -0.4311
135 S A -0.4542
136 P A -0.4117
137 T A -0.3466
138 A A -0.7090
139 P A 0.0000
140 S A -0.2447
141 V A -0.0787
142 F A 0.0000
143 P A -0.6893
144 I A 0.0000
145 S A 0.0000
146 S A 0.0000
147 C A 0.0000
148 C A -0.3133
149 G A -0.7546
150 S A -0.7023
151 T A -0.8962
152 Q A -1.0351
153 Q A -1.6354
154 Q A -1.3248
155 P A 0.0000
156 V A 0.0000
157 V A 0.0000
158 G A 0.0000
159 C A 0.0000
160 L A 0.0000
161 A A 0.0000
162 T A 0.0000
163 G A -0.3651
164 Y A 0.0000
165 I A 0.0000
166 P A 0.0000
167 G A -0.7753
168 P A -0.9035
169 A A 0.0000
170 T A -0.7465
171 F A -0.2357
172 S A -0.3099
173 W A -0.3072
174 S A -0.4756
175 G A -0.6137
176 A A -0.4872
177 S A -0.5899
178 G A -0.8848
179 A A -0.7523
180 T A -0.2930
181 S A -0.1521
182 V A -0.0989
183 T A -0.1652
184 V A 0.0000
185 P A -0.5601
186 E A -0.8586
187 T A 0.0000
188 H A -1.3908
189 G A -0.5101
190 V A 0.0337
191 G A -0.3256
192 P A -0.4906
193 H A 0.0000
194 K A -0.7603
195 R A -0.5110
196 A A 0.0000
197 S A 0.0000
198 F A 0.0000
199 L A 0.0000
200 R A -0.5851
201 P A 0.0000
202 P A 0.0000
203 H A -1.5390
204 A A -0.6397
205 G A -0.5227
206 S A -0.2833
207 G A -0.5189
208 D A -0.1641
209 F A 0.4036
210 F A 0.0000
211 T A -0.5619
212 C A 0.0000
213 S A -0.5265
214 V A 0.0000
215 N A -1.8975
216 H A 0.0000
217 Q A -2.3050
218 A A -1.3314
219 T A -1.5358
220 R A -2.5908
221 T A -1.5610
222 S A -1.1501
223 L A -0.0892
224 T A -0.4619
225 Q A -0.7278
226 N A -1.1953
227 V A 0.0000
228 E A 0.0000
229 G A 0.0000
230 C A 0.3437
231 V A 0.1228
232 A A -0.7018
233 G A -1.1925
234 G A -1.7813
235 E A -2.4171
236 P A -1.4352
237 T A -1.1364
238 P A -1.1765
239 P A 0.0000
240 E A -2.1277
241 V A 0.0000
242 Q A -1.2538
243 V A 0.0000
244 L A 0.0000
245 H A 0.0000
246 S A -0.4096
247 S A 0.0000
248 V A -0.1847
249 C A 0.2731
250 S A 0.2419
251 T A 0.4901
252 L A 0.5400
253 G A -1.0419
254 D A -2.5431
255 D A -3.2055
256 S A -2.5816
257 V A 0.0000
258 E A -1.1382
259 L A 0.0000
260 L A 0.0000
261 C A 0.0000
262 V A -0.2973
263 I A 0.0000
264 T A -0.8752
265 G A -1.0105
266 F A 0.0000
267 S A 0.0000
268 P A -0.8621
269 P A -0.4773
270 P A -0.8562
271 V A -1.2066
272 E A -2.3720
273 V A -1.5879
274 E A -2.1567
275 W A 0.0000
276 L A 0.0000
277 V A -1.1883
278 D A -2.1780
279 G A -1.5091
280 A A -0.8454
281 P A -1.0295
282 A A -0.6640
283 H A -0.5469
284 L A 0.2819
285 V A 1.4291
286 A A 0.3956
287 T A 0.0926
288 M A 0.1355
289 T A -0.7738
290 R A -1.7274
291 P A -1.1947
292 Q A -1.4553
293 R A -1.6515
294 E A -1.4482
295 A A -1.0553
296 G A -0.9320
297 S A -1.2018
298 K A -1.9383
299 T A -1.3980
300 Y A 0.0000
301 M A -0.7444
302 A A 0.0000
303 T A 0.0000
304 S A 0.0000
305 Q A -0.4943
306 T A 0.0000
307 N A -1.3890
308 V A 0.0000
309 S A -2.4954
310 R A -3.2613
311 E A -3.4417
312 D A -2.6177
313 W A 0.0000
314 K A -2.3995
315 A A -1.8809
316 G A -1.7026
317 K A -2.0658
318 A A -1.5756
319 F A 0.0000
320 T A 0.0000
321 C A 0.0000
322 R A -2.3146
323 V A 0.0000
324 K A -2.2613
325 H A 0.0000
326 P A -0.9674
327 A A -1.0248
328 T A -0.7886
329 G A -0.8419
330 G A -0.7532
331 T A -1.4517
332 A A -1.4813
333 Q A -2.1465
334 G A 0.0000
335 H A -1.5514
336 A A 0.0000
337 R A -1.6355
338 F A -0.9665
339 C A -0.4577
340 P A -0.7490
341 E A -0.8663
342 F A 0.8245
1 A B 0.7674
2 V B 1.7743
3 P B 0.4873
4 G B 0.1642
5 L B 0.6607
6 R B -1.4307
7 A B -0.8213
8 A B -0.8899
9 E B -1.6158
10 T B -1.3458
11 L B 0.0000
12 D B -2.2296
13 E B 0.0000
14 S B -1.0363
15 G B -0.5284
16 G B -0.8572
17 G B -0.6204
18 L B -0.1311
19 V B -0.2431
20 S B -0.6560
21 P B -1.2501
22 G B -1.1753
23 G B -0.8175
24 S B -0.7348
25 L B -0.2164
26 T B -0.1752
27 L B 0.0000
28 V B 0.0004
29 C B 0.0000
30 K B -1.6259
31 G B 0.0000
32 S B -0.9660
33 G B -1.0213
34 F B -0.6098
35 T B -0.3785
36 F B 0.0000
37 S B -0.9512
38 S B -0.3049
39 N B 0.0000
40 E B 0.0000
41 M B 0.0000
42 Y B 0.0000
43 W B 0.0000
44 V B 0.0000
45 R B 0.0000
46 Q B -1.0615
47 A B -1.4798
48 P B -1.3860
49 G B -1.7155
50 K B -1.7460
51 G B -0.8580
52 L B 0.0000
53 E B -0.2624
54 W B 0.0000
55 V B 0.0000
56 A B 0.0000
57 G B 0.0000
58 I B 0.0000
59 T B 0.0000
60 T B -0.6213
61 G B -0.3667
62 G B -0.1428
63 Y B 1.0916
64 T B 0.5955
65 G B 0.0000
66 Y B -0.2822
67 A B 0.0000
68 P B -0.7781
69 A B -0.8586
70 V B 0.0000
71 K B -2.0348
72 G B -1.5272
73 R B -1.3239
74 F B 0.0000
75 T B -0.6635
76 I B 0.0000
77 S B -0.3891
78 R B -1.3394
79 N B -2.2509
80 N B -2.0155
81 G B -1.7614
82 Q B -2.1680
83 S B -1.5998
84 T B -1.4757
85 L B 0.0000
86 T B -0.2475
87 L B 0.0000
88 Q B -0.4275
89 M B 0.0000
90 N B -1.1780
91 S B -1.1763
92 L B 0.0000
93 K B -2.1428
94 A B -1.4538
95 E B -2.2201
96 D B 0.0000
97 T B 0.0000
98 A B 0.0000
99 T B -1.0099
100 Y B 0.0000
101 Y B 0.0000
102 C B 0.0000
103 A B 0.0000
104 K B 0.0000
105 I B 0.0000
106 T B 0.0000
107 G B -0.1304
108 Y B 0.7848
109 A B -0.1331
110 N B -0.9799
111 C B 0.0000
112 A B 0.0918
113 G B 0.0000
114 Y B 0.7883
115 G B 0.0000
116 C B 0.0000
117 A B 0.0000
118 A B 0.0000
119 D B 0.0000
120 I B 0.0000
121 D B -0.4090
122 L B 0.0554
123 W B 0.0000
124 G B 0.0000
125 H B -1.3007
126 G B -1.3313
127 T B 0.0000
128 E B -1.9374
129 V B 0.0000
130 T B 0.0000
131 V B 0.0000
132 S B -0.5980
133 S B -0.5551
134 G B -0.4356
135 S B -0.4519
136 P B -0.4110
137 T B -0.3489
138 A B -0.6576
139 P B 0.0000
140 S B -0.1946
141 V B -0.0214
142 F B 0.0000
143 P B -0.7305
144 I B 0.0000
145 S B 0.0000
146 S B 0.0000
147 C B 0.0000
148 C B -0.4490
149 G B -0.8666
150 S B -0.6871
151 T B -0.8288
152 Q B -1.1751
153 Q B -1.7555
154 Q B -1.5394
155 P B 0.0000
156 V B 0.0000
157 V B 0.0000
158 G B 0.0000
159 C B 0.0000
160 L B 0.0000
161 A B 0.0000
162 T B -0.2260
163 G B -0.3293
164 Y B 0.0000
165 I B 0.0000
166 P B 0.0000
167 G B -0.7947
168 P B -0.8771
169 A B 0.0000
170 T B -0.6135
171 F B -0.1123
172 S B -0.2461
173 W B -0.3078
174 S B -0.5400
175 G B -0.7203
176 A B -0.5960
177 S B -0.5986
178 G B -0.9435
179 A B -0.8394
180 T B -0.4569
181 S B -0.1988
182 V B -0.0692
183 T B -0.1389
184 V B 0.0000
185 P B -0.5283
186 E B -0.8063
187 T B 0.0000
188 H B -1.3917
189 G B -0.5331
190 V B -0.0330
191 G B -0.3510
192 P B -0.4695
193 H B 0.0000
194 K B 0.0000
195 R B -0.4223
196 A B 0.0000
197 S B 0.0000
198 F B 0.0000
199 L B 0.0000
200 R B -0.7537
201 P B 0.0000
202 P B -1.3385
203 H B -1.5587
204 A B 0.0000
205 G B -0.7070
206 S B -0.4828
207 G B -0.8546
208 D B -0.7195
209 F B -0.1760
210 F B 0.0000
211 T B -0.6821
212 C B 0.0000
213 S B -0.3930
214 V B 0.0000
215 N B -1.5080
216 H B 0.0000
217 Q B -2.2167
218 A B -1.2940
219 T B -1.4899
220 R B -2.5212
221 T B -1.4359
222 S B -0.9592
223 L B 0.0893
224 T B -0.3553
225 Q B -0.6680
226 N B -1.3184
227 V B 0.0000
228 E B 0.0000
229 G B 0.0000
230 C B 0.2834
231 V B 0.2394
232 A B -0.9360
233 G B -1.2086
234 G B -1.8732
235 E B -2.5169
236 P B -1.4679
237 T B -1.2269
238 P B -1.1736
239 P B 0.0000
240 E B -2.1551
241 V B 0.0000
242 Q B -1.2821
243 V B 0.0000
244 L B 0.0000
245 H B 0.0000
246 S B -0.4780
247 S B -0.2306
248 V B -0.2624
249 C B 0.1547
250 S B 0.1715
251 T B 0.3346
252 L B 0.1827
253 G B -0.9805
254 D B -1.9795
255 D B -2.8002
256 S B -2.1860
257 V B 0.0000
258 E B -1.0193
259 L B 0.0000
260 L B 0.0000
261 C B 0.0000
262 V B 0.0000
263 I B 0.0000
264 T B -0.9504
265 G B -1.1412
266 F B 0.0000
267 S B 0.0000
268 P B -0.9525
269 P B 0.0000
270 P B -0.8746
271 V B -1.2056
272 E B -2.3990
273 V B -1.6747
274 E B -2.3130
275 W B 0.0000
276 L B 0.0000
277 V B -1.1798
278 D B -2.1743
279 G B -1.5313
280 A B -0.8563
281 P B -1.0769
282 A B -0.6834
283 H B -0.5598
284 L B 0.2987
285 V B 1.4612
286 A B 0.4251
287 T B 0.1056
288 M B 0.0968
289 T B -0.8880
290 R B -2.0627
291 P B 0.0000
292 Q B -1.7277
293 R B -2.1437
294 E B -1.6615
295 A B -1.1543
296 G B -1.0761
297 S B -1.4660
298 K B -2.4366
299 T B -1.7381
300 Y B 0.0000
301 M B -0.8920
302 A B 0.0000
303 T B 0.0000
304 S B 0.0000
305 Q B -0.4246
306 T B 0.0000
307 N B -1.2284
308 V B 0.0000
309 S B -2.0991
310 R B -2.5951
311 E B -3.0766
312 D B -2.3451
313 W B 0.0000
314 K B -1.9890
315 A B -1.6547
316 G B -1.6118
317 K B -2.0036
318 A B -1.5761
319 F B 0.0000
320 T B 0.0000
321 C B 0.0000
322 R B -2.5415
323 V B 0.0000
324 K B -2.2465
325 H B 0.0000
326 P B -0.9456
327 A B -1.0131
328 T B -0.7882
329 G B -0.8260
330 G B -0.7305
331 T B -1.4689
332 A B -1.5289
333 Q B -2.2409
334 G B 0.0000
335 H B -1.5170
336 A B 0.0000
337 R B -1.6146
338 F B 0.0000
339 C B -0.4203
340 P B -0.6969
341 E B -0.8608
342 F B 0.7912
1 M C 1.3978
2 A C 1.1233
3 W C 1.6647
4 A C 1.2826
5 P C 1.5201
6 L C 2.8242
7 L C 3.2488
8 L C 3.5137
9 A C 2.8170
10 V C 3.1173
11 L C 2.3745
12 A C 0.8406
13 H C -0.4003
14 T C -0.6068
15 S C -0.5863
16 G C -0.3792
17 S C 0.3716
18 L C 1.5460
19 V C 1.5315
20 Q C 0.1695
21 A C 0.1132
22 A C -0.1850
23 L C 0.0000
24 T C -0.4063
25 Q C -0.2949
26 P C -0.3136
27 A C -0.1768
28 S C -0.4780
29 K C -0.8573
30 S C -0.6394
31 V C 0.0000
32 N C -1.7932
33 P C -1.7685
34 G C -1.7373
35 D C -2.0250
36 T C -1.4190
37 V C 0.0000
38 Q C -1.3163
39 I C 0.0000
40 T C -0.5171
41 C C 0.0000
42 S C -0.5679
43 G C -0.6524
44 S C 0.0000
45 S C -0.8256
46 S C -0.6970
47 D C -1.0653
48 Y C 0.0000
49 G C 0.0000
50 W C 0.0000
51 F C 0.0000
52 Q C 0.0000
53 Q C 0.0000
54 K C -1.2875
55 T C -0.9151
56 P C -1.0253
57 G C -1.1607
58 S C -0.6728
59 A C -0.4014
60 P C 0.0000
61 V C 0.8779
62 T C 0.0000
63 V C 0.0000
64 I C 0.0000
65 Y C -1.0278
66 Q C -1.2554
67 N C -1.6186
68 N C -2.3298
69 K C -2.1857
70 R C -1.9607
71 P C -0.9203
72 S C -0.7932
73 G C -0.6598
74 I C -0.3407
75 P C -0.5398
76 S C -0.6812
77 R C -0.7121
78 F C 0.0000
79 S C -1.1719
80 G C 0.0000
81 S C -1.2417
82 K C -1.3458
83 S C -0.8505
84 G C -0.8418
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