Project name: Ab260122003-2

Status: done

Started: 2026-04-29 08:23:15
Settings
Chain sequence(s) A: IVLTQSPASLAVSLGQRATISCRASESVDSYGNSFMHWYQQKPGQPPKLLIYRASNLESGIPARFSGSGSRTDFTLTINPVEADDVATYYCQQSNEDPWTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: EVKLLESGGGLVQPGGSLKLSCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCARQRYLDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS
input PDB
Selected Chain(s) A,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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:41)
Show buried residues

Minimal score value
-3.8279
Maximal score value
1.6378
Average score
-0.7855
Total score value
-517.6484

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 E B -1.9613
2 V B -1.0574
3 K B -1.1643
4 L B 0.0000
5 L B 0.3580
6 E B 0.0000
7 S B -0.5122
8 G B -0.7345
9 G B -0.3659
10 G B 0.1892
11 L B 1.2144
12 V B 0.0810
13 Q B -1.4294
14 P B -1.6528
15 G B -1.8853
16 G B -1.4016
17 S B -1.4462
18 L B -0.9941
19 K B -1.6185
20 L B 0.0000
21 S B -0.4031
22 C B 0.0000
23 A B -0.3564
24 A B 0.0000
25 S B -1.2019
26 G B -1.2957
27 F B -1.1104
28 D B -1.6401
29 F B 0.0000
30 S B -2.0346
31 R B -2.6274
32 Y B -1.5558
33 W B -0.5652
34 M B 0.0000
35 S B 0.0000
36 W B 0.0000
37 V B 0.0000
38 R B -0.6308
39 Q B -0.9373
40 A B -1.2858
41 P B -1.1949
42 G B -1.4604
43 K B -2.3277
44 G B -1.5322
45 L B 0.0000
46 E B -1.2674
47 W B 0.0000
48 I B 0.0000
49 G B 0.0000
50 E B 0.0000
51 I B 0.0000
52 N B -0.8331
53 P B 0.0000
54 D B -2.5076
55 S B -1.1259
56 S B -0.6958
57 T B -0.0023
58 I B 1.0840
59 N B -0.3937
60 Y B -0.8031
61 T B -1.3584
62 P B -1.5323
63 S B -1.1419
64 L B 0.0000
65 K B -2.4106
66 D B -2.5587
67 K B -1.7599
68 F B 0.0000
69 I B 0.8248
70 I B 0.0000
71 S B 0.0137
72 R B -1.4496
73 D B -1.7889
74 N B -2.5296
75 A B -1.6934
76 K B -2.4642
77 N B -2.0992
78 T B 0.0000
79 L B 0.0000
80 Y B -0.2699
81 L B 0.0000
82 Q B -0.6123
83 M B 0.0000
84 S B -1.5249
85 K B -2.3901
86 V B 0.0000
87 R B -2.2429
88 S B -1.7473
89 E B -2.2136
90 D B 0.0000
91 T B -0.6222
92 A B 0.0000
93 L B 0.0881
94 Y B 0.0000
95 Y B 0.0000
96 C B 0.0000
97 A B 0.0000
98 R B 0.0000
99 Q B 0.0000
100 R B -1.8633
101 Y B -0.5990
102 L B 0.0000
103 D B -0.4772
104 Y B -0.1623
105 W B 0.0000
106 G B 0.0000
107 Q B -0.8548
108 G B -0.5752
109 T B 0.0000
110 T B -0.0269
111 L B 0.0000
112 T B 0.0000
113 V B 0.0000
114 S B -0.3986
115 S B -0.5928
116 A B -0.4327
117 S B -0.5396
118 T B -0.9649
119 K B -1.6575
120 G B -1.7206
121 P B 0.0000
122 S B -0.5724
123 V B 0.0000
124 F B 0.0000
125 P B -1.1105
126 L B 0.0000
127 A B -0.7750
128 P B -0.5889
129 S B -0.7045
130 S B -0.7738
131 K B -1.3929
132 S B -1.3253
133 T B -1.5154
134 S B -1.0820
135 G B -0.8215
136 G B -0.7981
137 T B -0.5554
138 A B -0.3337
139 A B 0.0000
140 L B 0.0000
141 G B 0.0000
142 C B 0.0000
143 L B 0.0000
144 V B 0.0000
145 K B 0.0000
146 D B -0.6526
147 Y B 0.0000
148 F B 0.0000
149 P B 0.0000
150 E B -1.5349
151 P B -1.5083
152 V B 0.0000
153 T B -1.1109
154 V B 0.0000
155 S B -0.5604
156 W B 0.0000
157 N B -0.6290
158 S B -0.6337
159 G B -0.6101
160 A B -0.2340
161 L B 0.0351
162 T B -0.1679
163 S B -0.1994
164 G B -0.1549
165 V B 0.1639
166 H B -0.3067
167 T B -0.0309
168 F B 0.0000
169 P B -0.4216
170 A B -0.0951
171 V B 0.2062
172 L B 0.5684
173 Q B 0.0260
174 S B -0.1701
175 S B -0.3150
176 G B -0.1349
177 L B -0.3301
178 Y B 0.0000
179 S B 0.0000
180 L B 0.0000
181 S B 0.0000
182 S B 0.0000
183 V B 0.0000
184 V B 0.0000
185 T B -0.1663
186 V B 0.0000
187 P B -0.5476
188 S B -0.6117
189 S B -0.8104
190 S B -0.5966
191 L B -1.1045
192 G B -1.4257
193 T B -0.7372
194 Q B -1.0724
195 T B -0.9883
196 Y B 0.0000
197 I B -0.8571
198 C B 0.0000
199 N B -1.6196
200 V B 0.0000
201 N B -2.7253
202 H B 0.0000
203 K B -3.0788
204 P B -1.9533
205 S B -2.0156
206 N B -2.7683
207 T B -2.3475
208 K B -2.9854
209 V B -1.7061
210 D B -2.3787
211 K B -2.0359
212 K B -2.1752
213 V B 0.0000
214 E B -2.7687
215 P B 0.0000
216 K B -2.6504
217 S B -2.0794
218 C B -1.6947
219 D B -2.9092
220 K B -2.8851
221 T B -1.7978
222 H B -1.3797
223 T B -0.8262
224 C B -1.1321
225 P B -0.7977
226 P B -0.9445
227 C B -0.4760
228 P B -0.8031
229 A B -0.4046
230 P B -0.1548
231 E B -0.8668
232 L B 1.2237
233 L B 1.3134
234 G B -0.1218
235 G B -0.1205
236 P B 0.0000
237 S B -0.1496
238 V B 0.0000
239 F B 0.9812
240 L B 0.7579
241 F B 0.9853
242 P B -0.2970
243 P B 0.0000
244 K B -2.2261
245 P B -1.4595
246 K B -1.1663
247 D B 0.0000
248 T B 0.0000
249 L B 0.0000
250 M B 0.4803
251 I B 1.6378
252 S B 0.2895
253 R B -0.9055
254 T B -0.5224
255 P B 0.0000
256 E B -1.0658
257 V B 0.0000
258 T B 0.2285
259 C B 0.0000
260 V B 0.0000
261 V B 0.0000
262 V B -0.6452
263 D B -1.2877
264 V B 0.0000
265 S B -1.5673
266 H B -2.4587
267 E B -2.6036
268 D B -1.7117
269 P B -1.4497
270 E B -1.0874
271 V B -0.4447
272 K B -0.2226
273 F B -0.3434
274 N B -0.7112
275 W B 0.0000
276 Y B -0.4023
277 V B -0.6813
278 D B -1.9445
279 G B -0.7683
280 V B 0.6790
281 E B -0.4542
282 V B -0.2548
283 H B -1.6466
284 N B -2.0338
285 A B -1.7832
286 K B -2.3638
287 T B -1.6980
288 K B -2.4513
289 P B -2.3575
290 R B -3.1882
291 E B -3.8279
292 E B -3.3691
293 Q B -1.7367
294 Y B 0.1952
295 N B -1.1148
296 S B -1.2031
297 T B -2.0358
298 Y B 0.0000
299 R B -2.4685
300 V B 0.0000
301 V B -0.8638
302 S B 0.0000
303 V B -0.8277
304 L B 0.0000
305 T B -0.6278
306 V B 0.0000
307 L B 0.9448
308 H B 0.0110
309 Q B -1.0410
310 D B -1.1627
311 W B 0.0000
312 L B -1.0082
313 N B -1.9693
314 G B -1.8955
315 K B -1.8271
316 E B -1.5818
317 Y B 0.0000
318 K B -1.4430
319 C B 0.0000
320 K B 0.0000
321 V B 0.0000
322 S B 0.0000
323 N B 0.0000
324 K B -0.9685
325 A B -0.5656
326 L B -0.1396
327 P B -0.3011
328 A B -0.3291
329 P B -0.5345
330 I B -0.4726
331 E B -1.9687
332 K B -1.3292
333 T B -0.9381
334 I B -0.0640
335 S B -0.9383
336 K B -1.1988
337 A B -1.2213
338 K B -2.3568
339 G B -1.9588
340 Q B -2.0931
341 P B -1.6618
342 R B -1.9389
343 E B -2.6460
344 P B 0.0000
345 Q B -1.4320
346 V B 0.0000
347 Y B 0.4775
348 T B 0.3523
349 L B 0.6604
350 P B -0.0377
351 P B 0.0000
352 S B -1.6237
353 R B -2.8061
354 D B -3.0125
355 E B -2.4435
356 L B -2.1216
357 T B -1.9384
358 K B -2.8909
359 N B -2.6782
360 Q B -2.3246
361 V B 0.0000
362 S B -0.4984
363 L B 0.0000
364 T B 0.1000
365 C B 0.0000
366 L B 0.4682
367 V B 0.0000
368 K B -0.5793
369 G B -1.2303
370 F B 0.0000
371 Y B -1.0180
372 P B 0.0000
373 S B -0.1069
374 D B -1.4071
375 I B -0.7742
376 A B -0.5922
377 V B 0.0000
378 E B -1.2823
379 W B 0.0000
380 E B -1.6962
381 S B 0.0000
382 N B -1.8574
383 G B -1.8835
384 Q B -2.3293
385 P B -2.1292
386 E B -2.2249
387 N B -2.5994
388 N B -2.3526
389 Y B -2.0394
390 K B -2.3327
391 T B -1.0164
392 T B -0.3032
393 P B 0.1276
394 P B 0.6136
395 V B 1.6150
396 L B 1.2808
397 D B -0.6780
398 S B -1.2512
399 D B -2.0325
400 G B -0.9519
401 S B 0.0000
402 F B 0.4063
403 F B 0.7546
404 L B 0.0000
405 Y B 0.3920
406 S B 0.0000
407 K B -1.4580
408 L B 0.0000
409 T B -1.3007
410 V B 0.0000
411 D B -2.1585
412 K B -2.6358
413 S B -2.3536
414 R B -2.5667
415 W B 0.0000
416 Q B -2.4929
417 Q B -2.3520
418 G B -1.3285
419 N B -1.0688
420 V B 0.3530
421 F B 0.0000
422 S B 0.0000
423 C B 0.0000
424 S B 0.0000
425 V B 0.0000
426 M B 0.0000
427 H B 0.0000
428 E B -1.1517
429 A B -1.3975
430 L B -1.3956
431 H B -1.7440
432 N B -1.6578
433 H B -1.1531
434 Y B -0.3476
435 T B -0.7013
436 Q B -0.8874
437 K B -1.1003
438 S B -0.3151
439 L B 0.0000
440 S B 0.0875
441 L B -0.0736
442 S B -0.1615
2 I A 0.1067
3 V A 1.2834
4 L A 0.0000
5 T A -0.5180
6 Q A 0.0000
7 S A -0.4932
8 P A -0.2309
9 A A -0.2846
10 S A -0.4766
11 L A -0.0971
12 A A -0.4193
13 V A 0.0000
14 S A -1.0643
15 L A -1.0699
16 G A -1.9274
17 Q A -2.3708
18 R A -2.8393
19 A A 0.0000
20 T A -0.7904
21 I A 0.0000
22 S A -0.8622
23 C A 0.0000
24 R A -2.4925
25 A A 0.0000
26 S A -1.1478
27 E A -2.3251
28 S A -2.3560
29 V A 0.0000
30 D A -1.8632
31 S A -0.5052
32 Y A 0.6364
33 G A -0.3894
34 N A -1.2945
35 S A 0.0000
36 F A -0.7717
37 M A 0.0000
38 H A 0.0000
39 W A 0.0000
40 Y A 0.0000
41 Q A 0.0000
42 Q A -1.1608
43 K A -1.5761
44 P A -1.3402
45 G A -1.3177
46 Q A -1.9507
47 P A -1.2745
48 P A 0.0000
49 K A -1.5767
50 L A 0.0000
51 L A 0.0000
52 I A 0.0000
53 Y A -0.0945
54 R A -0.8940
55 A A 0.0000
56 S A -0.7881
57 N A -0.5483
58 L A 0.1412
59 E A -0.3600
60 S A -0.4016
61 G A -0.4300
62 I A -0.2387
63 P A -0.1525
64 A A -0.2146
65 R A -0.9814
66 F A 0.0000
67 S A -0.5074
68 G A -0.4727
69 S A -0.9716
70 G A -1.7156
71 S A -2.3715
72 R A -3.3579
73 T A -2.9611
74 D A -3.2852
75 F A 0.0000
76 T A -0.9002
77 L A 0.0000
78 T A -0.8961
79 I A 0.0000
80 N A -2.3416
81 P A -2.1285
82 V A 0.0000
83 E A -2.0932
84 A A -1.2580
85 D A -2.0582
86 D A 0.0000
87 V A -0.3035
88 A A 0.0000
89 T A -0.4010
90 Y A 0.0000
91 Y A 0.0000
92 C A 0.0000
93 Q A 0.0000
94 Q A 0.0000
95 S A -0.9319
96 N A -1.6389
97 E A -2.2440
98 D A -2.5593
99 P A -1.4191
100 W A -0.7604
101 T A -0.1985
102 F A 0.0000
103 G A 0.0000
104 G A -0.7945
105 G A -0.7123
106 T A 0.0000
107 K A -0.4202
108 L A 0.0000
109 E A 0.0000
110 I A -0.1121
111 K A -1.3581
112 R A -0.9350
113 T A 0.0000
114 V A -0.5238
115 A A -0.3607
116 A A -0.3670
117 P A 0.0000
118 S A -0.0742
119 V A 0.0612
120 F A 0.0863
121 I A 0.0000
122 F A 0.0000
123 P A -0.3357
124 P A -0.7500
125 S A -1.7158
126 D A -3.0666
127 E A -3.2197
128 Q A 0.0000
129 L A -2.1799
130 K A -2.8989
131 S A -1.8689
132 G A -1.3135
133 T A -0.9341
134 A A 0.0000
135 S A 0.0000
136 V A 0.0000
137 V A 0.0000
138 C A 0.0000
139 L A 0.0000
140 L A 0.0000
141 N A 0.0000
142 N A -0.8188
143 F A 0.0000
144 Y A 0.0000
145 P A -1.9039
146 R A -3.0973
147 E A -3.2608
148 A A -2.3458
149 K A -2.1641
150 V A 0.0000
151 Q A -0.6504
152 W A 0.0000
153 K A -0.6603
154 V A 0.0000
155 D A -1.8755
156 N A -1.4793
157 A A -0.3298
158 L A 0.7111
159 Q A -0.0543
160 S A -0.4593
161 G A -0.8824
162 N A -0.7678
163 S A -1.0363
164 Q A -1.3190
165 E A -1.5594
166 S A -0.6181
167 V A -0.6812
168 T A -1.1225
169 E A -2.1769
170 Q A -1.6366
171 D A -1.5510
172 S A -1.4701
173 K A -2.0892
174 D A -1.4189
175 S A -1.3579
176 T A 0.0000
177 Y A 0.0000
178 S A 0.0000
179 L A 0.0000
180 S A 0.0000
181 S A 0.0000
182 T A -0.5842
183 L A 0.0000
184 T A -0.4284
185 L A -0.7275
186 S A -1.1897
187 K A -2.1284
188 A A -2.0650
189 D A -2.9596
190 Y A 0.0000
191 E A -3.4550
192 K A -3.5214
193 H A -2.4682
194 K A -2.1324
195 V A -0.9843
196 Y A 0.0000
197 A A 0.0000
198 C A 0.0000
199 E A -0.7280
200 V A 0.0000
201 T A -1.1728
202 H A 0.0000
203 Q A -1.6778
204 G A 0.0000
205 L A -0.2566
206 S A -0.4328
207 S A -0.4013
208 P A -0.5981
209 V A 0.0038
210 T A -0.4886
211 K A -0.7945
212 S A -0.6707
213 F A 0.0000
214 N A -1.3862
215 R A -1.8178
216 G A -1.6663
217 E A -2.0409
218 C A -0.5607
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Laboratory of Theory of Biopolymers 2018