Project name: 1dteb

Status: done

Started: 2026-03-18 16:28:50
Settings
Chain sequence(s) A: MLEEELKQLEEELQAIEEQLAQLQWKAQARKEKLAQLKEKLGSGPGSPEDEIQQLEEEISQLEQKNSELKEKNQELKYGSGPGGSIINETADDIVYRLTVIIDDRYESLKNLITLRADRLEMIINDNVSTILASGGSGPGSPEDENSQLEEKISQLKQKNSELKEEIQQLEYGSGPGSPEDKISQLKEKIQQLKQENQQLEEENSQLEYGSGPGGSIINETADDIVYRLTVIIDDRYESLKNLITLRADRLEMIINDNVSTILASGGSGPGSPEDKNSELKEEIQQLEEENQQLEEKISELKYGSGPGLEEELKQLEEELQAIEEQLAQLQWKAQARKEKLAQLKEKLGSGPGSPEDEIQQLEEEISQLEQKNSELKEKNQELKYGSGPGGSIINETADDIVYRLTVIIDDRYESLKNLITLRADRLEMIINDNVSTILASGGSGPGSPEDENSQLEEKISQLKQKNSELKEEIQQLEYGSGPGSPEDKISQLKEKIQQLKQENQQLEEENSQLEYGSGPGGSIINETADDIVYRLTVIIDDRYESLKNLITLRADRLEMIINDNVSTILASGGSGPGSPEDKNSELKEEIQQLEEENQQLEEKISELKYLEHHHHHHHH
input PDB
Selected Chain(s) A
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]                                                (00:00:01)
[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 A 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                                          (00:36:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:37:00)
Show buried residues

Minimal score value
-5.0303
Maximal score value
0.9496
Average score
-1.9279
Total score value
-1195.3275

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 M A -0.3556
2 L A -1.6216
3 E A -3.1698
4 E A -3.4942
5 E A -3.2984
6 L A 0.0000
7 K A -4.4217
8 Q A -4.1810
9 L A -3.8298
10 E A -3.8173
11 E A -3.8553
12 E A -3.0879
13 L A -3.3750
14 Q A -3.1107
15 A A -2.3711
16 I A -2.4512
17 E A -2.9805
18 E A -2.9940
19 Q A -2.1535
20 L A -1.7535
21 A A -1.2141
22 Q A -1.1316
23 L A -1.1759
24 Q A -0.9898
25 W A 0.0101
26 K A -1.0748
27 A A 0.0000
28 Q A -2.3027
29 A A -2.0478
30 R A -3.2059
31 K A -3.7894
32 E A -3.7191
33 K A -3.2923
34 L A 0.0000
35 A A -3.0142
36 Q A -3.5085
37 L A -3.0592
38 K A -3.2680
39 E A -3.6565
40 K A -3.0154
41 L A -1.7939
42 G A -2.0138
43 S A -1.5482
44 G A -0.9882
45 P A -1.2101
46 G A -1.7918
47 S A -2.1554
48 P A -2.7283
49 E A -3.9731
50 D A -4.3989
51 E A -4.2042
52 I A -3.6827
53 Q A -4.5450
54 Q A -4.4219
55 L A -3.4767
56 E A -4.3067
57 E A -4.1200
58 E A -3.3785
59 I A 0.0000
60 S A -3.0022
61 Q A -3.4059
62 L A -3.0001
63 E A -3.3880
64 Q A -3.4057
65 K A -3.2980
66 N A 0.0000
67 S A -2.9522
68 E A -3.7340
69 L A -3.1881
70 K A -2.9285
71 E A -3.5654
72 K A -2.8955
73 N A 0.0000
74 Q A -1.5375
75 E A -2.1647
76 L A -1.1913
77 K A 0.0000
78 Y A 0.4332
79 G A -0.3156
80 S A -0.3449
81 G A -0.2186
82 P A -0.1144
83 G A -0.3730
84 G A -0.6522
85 S A -0.8318
86 I A -0.3480
87 I A -0.9842
88 N A -2.8716
89 E A -3.1437
90 T A -2.3313
91 A A 0.0000
92 D A -3.4613
93 D A -3.0105
94 I A 0.0000
95 V A 0.0000
96 Y A 0.3081
97 R A -0.1960
98 L A 0.0000
99 T A 0.2502
100 V A 0.6168
101 I A -0.2632
102 I A 0.0000
103 D A -2.1661
104 D A -2.6390
105 R A -2.2659
106 Y A -2.1225
107 E A -3.2483
108 S A -2.1759
109 L A 0.0000
110 K A -1.8704
111 N A -1.4801
112 L A -0.6971
113 I A 0.0000
114 T A -0.6849
115 L A -0.5534
116 R A -1.5200
117 A A -1.2380
118 D A -2.2740
119 R A -1.9351
120 L A 0.0000
121 E A -1.6852
122 M A -0.8723
123 I A -1.2302
124 I A 0.0000
125 N A -2.0536
126 D A -2.2081
127 N A -1.1827
128 V A -0.8980
129 S A -0.8666
130 T A -0.4359
131 I A 0.0000
132 L A 0.3009
133 A A 0.0070
134 S A -0.2403
135 G A -0.5014
136 G A -0.7227
137 S A -0.7698
138 G A -0.8834
139 P A -1.0787
140 G A -0.9320
141 S A -0.9329
142 P A -1.4298
143 E A -1.4062
144 D A -1.5106
145 E A -1.7334
146 N A -1.9495
147 S A 0.0000
148 Q A -2.5044
149 L A -2.1862
150 E A -2.2847
151 E A -3.0120
152 K A -2.7739
153 I A 0.0000
154 S A -2.5759
155 Q A -2.7786
156 L A -3.0571
157 K A -3.6245
158 Q A -3.1748
159 K A -3.1352
160 N A 0.0000
161 S A -3.1254
162 E A -3.9660
163 L A -3.6202
164 K A -3.6716
165 E A -4.0687
166 E A -3.8125
167 I A 0.0000
168 Q A -2.7741
169 Q A -2.4940
170 L A -1.9679
171 E A -2.0665
172 Y A -0.3220
173 G A -0.9416
174 S A -0.7786
175 G A -0.7432
176 P A -1.2661
177 G A -1.7951
178 S A -1.9419
179 P A -2.5758
180 E A -3.4143
181 D A -3.7201
182 K A -3.2706
183 I A -2.6278
184 S A -3.0893
185 Q A -3.5613
186 L A 0.0000
187 K A -3.6973
188 E A -3.8701
189 K A -3.3330
190 I A -3.1907
191 Q A -3.3083
192 Q A -2.9054
193 L A 0.0000
194 K A -2.6960
195 Q A -2.3416
196 E A -2.3255
197 N A -2.9673
198 Q A -3.0667
199 Q A -2.4424
200 L A 0.0000
201 E A -3.5354
202 E A -3.4901
203 E A -2.8228
204 N A -2.2809
205 S A -1.9580
206 Q A -1.8085
207 L A 0.0000
208 E A -1.5645
209 Y A -0.1089
210 G A -0.8359
211 S A -0.7805
212 G A -0.7076
213 P A -0.7405
214 G A 0.0000
215 G A -0.6257
216 S A -0.8503
217 I A 0.0000
218 I A -0.7371
219 N A -1.9547
220 E A -2.0422
221 T A -1.1975
222 A A 0.0000
223 D A -2.2753
224 D A -1.2780
225 I A 0.0000
226 V A 0.0000
227 Y A 0.6678
228 R A 0.2037
229 L A 0.0000
230 T A 0.0029
231 V A -0.0589
232 I A 0.0000
233 I A 0.0000
234 D A -2.1079
235 D A -2.7604
236 R A -1.9227
237 Y A -1.8717
238 E A -2.5670
239 S A -1.9059
240 L A 0.0000
241 K A -1.1646
242 N A -0.8038
243 L A -0.4388
244 I A 0.0000
245 T A -0.6171
246 L A -0.3670
247 R A 0.0000
248 A A 0.0000
249 D A -2.1684
250 R A -1.9988
251 L A 0.0000
252 E A -1.8577
253 M A -0.8078
254 I A -0.7914
255 I A 0.0000
256 N A -1.3812
257 D A -1.9802
258 N A -1.0784
259 V A -0.6306
260 S A -0.7548
261 T A -0.9723
262 I A 0.0000
263 L A 0.4505
264 A A -0.3967
265 S A 0.0000
266 G A -0.5472
267 G A -0.8529
268 S A -1.0454
269 G A -0.9821
270 P A -0.8391
271 G A -1.5901
272 S A -2.2127
273 P A -2.8423
274 E A -3.7140
275 D A -4.0627
276 K A -3.9255
277 N A -3.5304
278 S A -3.8274
279 E A -4.5453
280 L A -3.6768
281 K A -4.2139
282 E A -4.6142
283 E A -4.4991
284 I A -3.9652
285 Q A -4.3157
286 Q A -4.3292
287 L A 0.0000
288 E A -4.5785
289 E A -4.5467
290 E A -4.1756
291 N A -4.0325
292 Q A -4.1064
293 Q A -3.9052
294 L A 0.0000
295 E A -3.6151
296 E A -3.8673
297 K A -3.2559
298 I A -2.6993
299 S A -2.2260
300 E A -2.7795
301 L A -2.0029
302 K A -1.8765
303 Y A -0.3847
304 G A -1.0642
305 S A -1.4133
306 G A -1.0110
307 P A -1.1536
308 G A -1.4661
309 L A -1.6647
310 E A -2.6312
311 E A -2.6164
312 E A -2.7582
313 L A -3.4108
314 K A -3.7874
315 Q A -3.5023
316 L A -3.7482
317 E A -4.4055
318 E A -4.2334
319 E A -3.3759
320 L A -3.6189
321 Q A -3.4151
322 A A -2.6483
323 I A 0.0000
324 E A -2.9848
325 E A -2.9332
326 Q A -2.2698
327 L A 0.0000
328 A A -1.4559
329 Q A -1.4020
330 L A -1.5270
331 Q A -1.5983
332 W A -0.5114
333 K A -1.5902
334 A A 0.0000
335 Q A -2.4249
336 A A -2.1481
337 R A -2.9514
338 K A -3.1861
339 E A -3.4851
340 K A -3.3028
341 L A 0.0000
342 A A -3.0747
343 Q A -3.5700
344 L A -3.0719
345 K A -3.7477
346 E A -3.8349
347 K A -3.1222
348 L A -1.4637
349 G A -1.6623
350 S A -1.5207
351 G A -2.0487
352 P A -2.2345
353 G A -2.5897
354 S A -2.4657
355 P A -2.8034
356 E A -3.7455
357 D A -3.9171
358 E A -3.3533
359 I A -3.0713
360 Q A -4.1497
361 Q A -4.1913
362 L A -3.5377
363 E A -4.1112
364 E A -4.3573
365 E A -4.0391
366 I A -3.8136
367 S A -3.1142
368 Q A -3.5314
369 L A -3.2616
370 E A -3.5276
371 Q A -3.2449
372 K A -2.9145
373 N A 0.0000
374 S A -2.9384
375 E A -3.7483
376 L A 0.0000
377 K A -3.4613
378 E A -3.9960
379 K A -3.4463
380 N A 0.0000
381 Q A -3.0743
382 E A -3.1174
383 L A -1.8817
384 K A -1.8533
385 Y A -0.4693
386 G A -1.0463
387 S A -0.7657
388 G A -0.4131
389 P A -0.1765
390 G A 0.0000
391 G A 0.1794
392 S A -0.5307
393 I A 0.2985
394 I A 0.0046
395 N A 0.0000
396 E A -1.5519
397 T A -1.1236
398 A A 0.0000
399 D A -1.5456
400 D A -2.3666
401 I A 0.0000
402 V A 0.0000
403 Y A -0.2273
404 R A -1.1094
405 L A 0.0000
406 T A 0.0000
407 V A 0.9496
408 I A 0.1861
409 I A -0.4840
410 D A -1.0984
411 D A -2.0655
412 R A -2.0643
413 Y A 0.0000
414 E A -2.4674
415 S A -1.9571
416 L A 0.0000
417 K A -0.8680
418 N A -0.9585
419 L A -0.1247
420 I A 0.0000
421 T A -0.4907
422 L A -0.1100
423 R A -1.2466
424 A A 0.0000
425 D A -1.2724
426 R A -1.7155
427 L A 0.0000
428 E A 0.0000
429 M A -0.1993
430 I A -0.1117
431 I A -0.2889
432 N A -1.1356
433 D A -1.6770
434 N A -0.8176
435 V A 0.0000
436 S A -1.1519
437 T A -1.0626
438 I A -0.3665
439 L A -0.6914
440 A A -0.5668
441 S A -0.5771
442 G A -0.6721
443 G A -0.8088
444 S A -0.5571
445 G A -0.7343
446 P A -1.2714
447 G A -1.3474
448 S A -1.7772
449 P A -2.5011
450 E A -3.1755
451 D A -3.6427
452 E A -3.0658
453 N A -3.2881
454 S A -3.2306
455 Q A -3.6298
456 L A -3.5332
457 E A -4.0236
458 E A -3.9812
459 K A -3.7362
460 I A 0.0000
461 S A -3.0907
462 Q A -3.5429
463 L A -3.8548
464 K A -3.9850
465 Q A -3.4876
466 K A -3.5631
467 N A 0.0000
468 S A -3.2586
469 E A -4.0035
470 L A -3.6912
471 K A -3.9936
472 E A -3.9153
473 E A -3.0433
474 I A 0.0000
475 Q A -2.6968
476 Q A -2.0622
477 L A -1.3824
478 E A -1.6841
479 Y A -0.2539
480 G A -0.9539
481 S A -0.9529
482 G A -1.3715
483 P A -1.5065
484 G A -1.7821
485 S A -1.9669
486 P A -2.4588
487 E A -3.4795
488 D A -3.4797
489 K A -2.6601
490 I A -2.3652
491 S A -2.8813
492 Q A -3.1606
493 L A 0.0000
494 K A -3.5211
495 E A -4.0272
496 K A -3.5939
497 I A -3.5719
498 Q A -3.8673
499 Q A -3.7325
500 L A 0.0000
501 K A -3.5701
502 Q A -3.5784
503 E A -3.4396
504 N A -3.5978
505 Q A -3.6135
506 Q A -3.6776
507 L A 0.0000
508 E A -3.5915
509 E A -3.7291
510 E A -3.0539
511 N A -2.3295
512 S A -1.6059
513 Q A -1.7806
514 L A -1.0754
515 E A -0.8538
516 Y A 0.0551
517 G A -0.5616
518 S A -0.9603
519 G A -0.9372
520 P A -0.6154
521 G A -0.4953
522 G A 0.0000
523 S A -0.3775
524 I A -0.2537
525 I A -0.4169
526 N A -1.3578
527 E A -2.3826
528 T A -1.9347
529 A A -1.4727
530 D A -2.2144
531 D A -2.8376
532 I A 0.0000
533 V A -0.6672
534 Y A 0.5381
535 R A -0.1256
536 L A 0.0000
537 T A -0.1813
538 V A 0.2220
539 I A 0.0000
540 I A 0.0000
541 D A -2.5970
542 D A -3.0557
543 R A 0.0000
544 Y A -2.4960
545 E A -3.4880
546 S A -2.5539
547 L A 0.0000
548 K A -2.0810
549 N A -1.6206
550 L A 0.0000
551 I A 0.0000
552 T A -0.5381
553 L A 0.0997
554 R A -1.0609
555 A A 0.0000
556 D A -2.1644
557 R A -2.1348
558 L A 0.0000
559 E A -2.5959
560 M A -1.6037
561 I A 0.0000
562 I A 0.0000
563 N A -2.0239
564 D A -2.4746
565 N A 0.0000
566 V A -0.6934
567 S A -0.8726
568 T A -0.5132
569 I A 0.0000
570 L A 0.1137
571 A A -0.0827
572 S A -0.3962
573 G A -0.7203
574 G A -0.7938
575 S A -1.0885
576 G A -1.3574
577 P A -1.8226
578 G A -1.9893
579 S A -2.0976
580 P A -2.9718
581 E A -3.8869
582 D A -4.1725
583 K A -3.6742
584 N A -3.7511
585 S A -3.7996
586 E A -4.5723
587 L A 0.0000
588 K A -4.6357
589 E A -4.7870
590 E A -5.0303
591 I A -4.3985
592 Q A -4.4356
593 Q A -4.3911
594 L A -4.4057
595 E A -4.5078
596 E A -4.3771
597 E A -4.5326
598 N A -4.3706
599 Q A -4.0613
600 Q A -3.9428
601 L A 0.0000
602 E A -3.7780
603 E A -3.8562
604 K A -3.3851
605 I A -2.4566
606 S A -2.0625
607 E A -2.5753
608 L A -1.9080
609 K A -1.3681
610 Y A 0.3143
611 L A -0.2682
612 E A -2.3227
613 H A -2.3914
614 H A -2.7916
615 H A -2.6236
616 H A -2.6363
617 H A -2.6387
618 H A -2.4454
619 H A -2.1788
620 H A -1.8427
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Laboratory of Theory of Biopolymers 2018