Project name: LIN5 M82

Status: done

Started: 2026-05-15 11:55:05
Settings
Chain sequence(s) A: KNVHRTRFHFQPPKHWINDPNAPMYYNGVYHLFYQYNPKGSVWGNIIWAHSVSKDLINWIHLEPAIYPSKKFDKYGTWSGSSTILPNNKPVIIYTGVVDSYNNQVQNYAIPANLSDPFLRKWIKPNNNPLIVPDNSINRTEFRDPTTAWMGQDGLWRILIASMRKHRGMALLYRSRDFMKWIKAQHPLHSSTNTGNWECPDFFPVLFNSTNGLDVSYRGKNVKYVLKNSLDVARFDYYTIGMYHTKIDRYIPNNNSIDGWKGLRIDYGNFYASKTFYDPSRNRRVIWGWSNESDVLPDDEIKKGWAGIQGIPRQVWLNLSGKQLLQWPIEELETLRKQKVQLNNKKLSKGEMFEVKGISASQADVEVLFSFSSLNEAEQFDPRWADLYAQDVCAIKGSTIQGGLGPFGLVTLASKNLEEYTPVFFRVFKAQKSYKILMCSDARRSSMRQNEAMYKPSFAGYVDVDLEDMKKLSLRSLIDNSVVESFGAGGKTCITSRVYPTLAIYDNAHLFVFNNGSETITIETLNAWSMDACKMN
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:19)
Show buried residues

Minimal score value
-3.7553
Maximal score value
1.4668
Average score
-0.5788
Total score value
-310.2186

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
49 K A -2.0756
50 N A -1.6783
51 V A -0.4674
52 H A 0.0000
53 R A -0.7554
54 T A 0.0000
55 R A -1.0100
56 F A 0.0000
57 H A 0.0000
58 F A 0.0000
59 Q A 0.0000
60 P A 0.0000
61 P A -1.0754
62 K A -1.8283
63 H A -0.8308
64 W A -0.0210
65 I A 0.0000
66 N A 0.0000
67 D A -0.2157
68 P A 0.0000
69 N A 0.0000
70 A A 0.0000
71 P A 0.0000
72 M A 0.0000
73 Y A -0.1260
74 Y A 0.0000
75 N A -1.4356
76 G A -1.2637
77 V A 0.0000
78 Y A 0.0000
79 H A 0.0000
80 L A 0.0000
81 F A 0.0000
82 Y A 0.0000
83 Q A 0.0000
84 Y A -0.0868
85 N A 0.0000
86 P A -1.3404
87 K A -2.0297
88 G A -0.6806
89 S A 0.0000
90 V A 1.1505
91 W A 0.6507
92 G A -0.1098
93 N A -0.7168
94 I A 0.0000
95 I A 0.5436
96 W A 0.0000
97 A A 0.0000
98 H A 0.0000
99 S A 0.0000
100 V A 0.0000
101 S A 0.0000
102 K A -1.8986
103 D A -1.6215
104 L A 0.0000
105 I A 0.0000
106 N A -1.1626
107 W A 0.0000
108 I A -0.0613
109 H A -1.1037
110 L A -1.3026
111 E A -2.4238
112 P A -1.1464
113 A A 0.0000
114 I A 0.0000
115 Y A 0.8161
116 P A -0.6090
117 S A -1.0902
118 K A -2.5955
119 K A -2.8469
120 F A 0.0000
121 D A 0.0000
122 K A -2.2430
123 Y A -0.5164
124 G A 0.0000
125 T A 0.0000
126 W A 0.4648
127 S A 0.0000
128 G A 0.0000
129 S A 0.0000
130 S A 0.0000
131 T A 0.0000
132 I A 0.5077
133 L A -0.3263
134 P A -1.0084
135 N A -1.8997
136 N A -1.8799
137 K A -0.8886
138 P A 0.0000
139 V A 0.0000
140 I A 0.0000
141 I A 0.0000
142 Y A 0.0000
143 T A 0.0000
144 G A 0.0000
145 V A 0.0000
146 V A 0.0000
147 D A -2.2054
148 S A -0.9058
149 Y A 0.1716
150 N A -1.0960
151 N A -1.0806
152 Q A 0.0000
153 V A 0.0000
154 Q A 0.0000
155 N A 0.0000
156 Y A 0.0000
157 A A 0.0000
158 I A 0.4890
159 P A 0.0000
160 A A -0.4458
161 N A -1.0224
162 L A -0.5177
163 S A -0.3881
164 D A 0.0000
165 P A -0.5440
166 F A -0.3053
167 L A 0.0000
168 R A -1.9264
169 K A -2.0236
170 W A 0.0000
171 I A 0.8737
172 K A -0.0909
173 P A -0.8397
174 N A -1.9447
175 N A -2.0540
176 N A 0.0000
177 P A -0.5561
178 L A -0.2665
179 I A 0.0000
180 V A -0.2458
181 P A 0.0000
182 D A -2.3875
183 N A -1.9000
184 S A -1.5970
185 I A -1.5019
186 N A -2.2393
187 R A -2.1006
188 T A -1.0876
189 E A -1.1835
190 F A 0.0000
191 R A -0.4259
192 D A 0.0000
193 P A 0.0000
194 T A 0.0000
195 T A 0.1959
196 A A 0.0000
197 W A 0.0000
198 M A -0.4973
199 G A -1.1771
200 Q A -1.9602
201 D A -1.5988
202 G A -1.2202
203 L A -1.1666
204 W A 0.0000
205 R A 0.0000
206 I A 0.0000
207 L A 0.0000
208 I A 0.0000
209 A A 0.0000
210 S A 0.0000
211 M A -2.1790
212 R A -3.4984
213 K A -3.7553
214 H A -3.4679
215 R A -3.4951
216 G A 0.0000
217 M A -0.7884
218 A A 0.0000
219 L A 0.0000
220 L A 0.0000
221 Y A 0.0000
222 R A -0.5997
223 S A 0.0000
224 R A -2.5677
225 D A -2.4574
226 F A 0.0000
227 M A -1.2021
228 K A -1.9104
229 W A 0.0000
230 I A 0.8680
231 K A -0.1957
232 A A -0.6113
233 Q A -1.2444
234 H A -1.1026
235 P A -0.6453
236 L A 0.0000
237 H A -0.2256
238 S A -0.8379
239 S A -0.9929
240 T A -2.0483
241 N A -2.2191
242 T A 0.0000
243 G A -1.6207
244 N A 0.0000
245 W A 0.0000
246 E A -0.2956
247 C A 0.0000
248 P A 0.0000
249 D A 0.0000
250 F A 0.0000
251 F A 0.0000
252 P A 0.0000
253 V A 0.0000
254 L A -0.3569
255 F A 0.2913
256 N A -0.6385
257 S A -0.4470
258 T A -0.5555
259 N A -1.6638
260 G A 0.0000
261 L A 0.0000
262 D A -0.8049
263 V A -0.0560
264 S A -0.4451
265 Y A -0.8810
266 R A -2.4030
267 G A -2.1927
268 K A -2.6174
269 N A -2.1642
270 V A -0.9465
271 K A -0.4895
272 Y A 0.0000
273 V A 0.0000
274 L A 0.0000
275 K A 0.0000
276 N A 0.0000
277 S A 0.0000
278 L A 0.0000
279 D A -0.1170
280 V A 1.2114
281 A A 0.3360
282 R A -0.8808
283 F A -0.0532
284 D A 0.0000
285 Y A 0.0000
286 Y A 0.0000
287 T A 0.0000
288 I A 0.0000
289 G A 0.0000
290 M A 0.6239
291 Y A -0.0415
292 H A -0.3683
293 T A 0.0000
294 K A -1.6596
295 I A -0.5751
296 D A 0.0000
297 R A -0.5252
298 Y A 0.0000
299 I A 0.3809
300 P A -0.5664
301 N A -1.4310
302 N A -1.9989
303 N A -2.1962
304 S A -1.0810
305 I A 0.0000
306 D A 0.0000
307 G A 0.0000
308 W A 0.4776
309 K A -1.3444
310 G A -0.5969
311 L A 0.0098
312 R A -0.0720
313 I A 0.0000
314 D A 0.0000
315 Y A 0.2800
316 G A 0.0000
317 N A -0.4074
318 F A 0.0000
319 Y A 0.0000
320 A A 0.0000
321 S A 0.0000
322 K A 0.0000
323 T A 0.0000
324 F A 0.0000
325 Y A -0.3166
326 D A 0.0000
327 P A -1.3257
328 S A -1.5025
329 R A -2.6084
330 N A -2.4838
331 R A 0.0000
332 R A 0.0000
333 V A 0.0000
334 I A 0.0000
335 W A 0.0000
336 G A 0.0000
337 W A 0.0000
338 S A 0.0000
339 N A -0.7023
340 E A 0.0000
341 S A -0.1114
342 D A 0.0000
343 V A 0.0000
344 L A 1.1558
345 P A 0.2621
346 D A -0.9172
347 D A -0.5903
348 E A 0.0000
349 I A 1.2015
350 K A -1.0305
351 K A -1.2469
352 G A -0.8533
353 W A 0.0000
354 A A 0.0000
355 G A 0.0000
356 I A 0.0000
357 Q A 0.0000
358 G A 0.0000
359 I A 0.0000
360 P A 0.0000
361 R A 0.0000
362 Q A -0.3742
363 V A 0.0000
364 W A 0.1166
365 L A 0.0000
366 N A 0.0000
367 L A 1.0549
368 S A -0.1014
369 G A -0.5555
370 K A -1.6639
371 Q A -0.8266
372 L A 0.0000
373 L A 0.0637
374 Q A 0.0000
375 W A -0.0989
376 P A 0.0000
377 I A 0.0000
378 E A -2.0334
379 E A -1.5953
380 L A 0.0000
381 E A -1.4141
382 T A -1.2479
383 L A 0.0000
384 R A -2.0562
385 K A -2.9453
386 Q A -2.7589
387 K A -2.1889
388 V A -1.4116
389 Q A -1.6129
390 L A -1.4186
391 N A -2.5345
392 N A -2.7157
393 K A -2.3950
394 K A -2.7061
395 L A 0.0000
396 S A -1.8956
397 K A -2.7461
398 G A -2.0379
399 E A -1.7348
400 M A -0.5886
401 F A -0.5221
402 E A -1.7109
403 V A 0.0000
404 K A -2.1726
405 G A -1.5787
406 I A -1.3613
407 S A -1.1660
408 A A 0.0000
409 S A 0.0000
410 Q A -0.5495
411 A A 0.0000
412 D A 0.0000
413 V A 0.0000
414 E A -0.5748
415 V A 0.0000
416 L A -0.6052
417 F A 0.0000
418 S A -0.8469
419 F A -0.4982
420 S A -0.3991
421 S A -1.0112
422 L A -1.8235
423 N A -2.7011
424 E A -3.1321
425 A A 0.0000
426 E A -3.1084
427 Q A -2.9798
428 F A -1.9864
429 D A -2.2594
430 P A -1.9503
431 R A -2.4991
432 W A -1.3727
433 A A -0.9445
434 D A -1.8787
435 L A -0.6141
436 Y A 0.0072
437 A A 0.0000
438 Q A -0.2021
439 D A -0.5137
440 V A 0.0000
441 C A 0.0000
442 A A 0.1284
443 I A 1.4668
444 K A 0.1804
445 G A 0.0000
446 S A 0.0000
447 T A 0.0500
448 I A 0.2582
449 Q A -1.3438
450 G A -1.2553
451 G A 0.0000
452 L A 0.0000
453 G A 0.0000
454 P A 0.0000
455 F A 0.0000
456 G A 0.0000
457 L A 0.0000
458 V A 0.0000
459 T A 0.0000
460 L A 0.0000
461 A A 0.0000
462 S A 0.0000
463 K A -2.7706
464 N A -2.2110
465 L A -1.3434
466 E A -1.1662
467 E A 0.0000
468 Y A -0.6167
469 T A 0.0000
470 P A 0.0000
471 V A 0.0000
472 F A 0.0000
473 F A 0.0000
474 R A 0.0000
475 V A 0.0000
476 F A 0.0000
477 K A -2.6228
478 A A 0.0000
479 Q A -2.3031
480 K A -2.3944
481 S A -1.7711
482 Y A 0.0000
483 K A -0.9378
484 I A 0.0000
485 L A 0.0000
486 M A 0.0000
487 C A 0.0000
488 S A 0.0000
489 D A 0.0000
490 A A 0.0000
491 R A -1.4520
492 R A -1.4922
493 S A 0.0000
494 S A 0.0000
495 M A -0.1529
496 R A -1.4306
497 Q A -2.1778
498 N A -2.1407
499 E A -1.6951
500 A A -0.7028
501 M A 0.4182
502 Y A -0.1527
503 K A -0.8487
504 P A -0.1538
505 S A -0.2211
506 F A 0.0000
507 A A 0.0000
508 G A 0.0000
509 Y A 0.5737
510 V A 0.0000
511 D A -1.3216
512 V A -1.2126
513 D A -2.3184
514 L A 0.0000
515 E A -2.0687
516 D A -2.1423
517 M A -0.7017
518 K A -1.6345
519 K A -1.6009
520 L A 0.0000
521 S A -0.3935
522 L A 0.0000
523 R A 0.0000
524 S A 0.0000
525 L A 0.0000
526 I A 0.0000
527 D A 0.0000
528 N A 0.0000
529 S A 0.0000
530 V A 0.0000
531 V A 0.0000
532 E A 0.0000
533 S A 0.0000
534 F A 0.0000
535 G A 0.0000
536 A A -0.5779
537 G A -0.2598
538 G A 0.0000
539 K A -0.4059
540 T A 0.0000
541 C A 0.0000
542 I A 0.0000
543 T A 0.0000
544 S A 0.0000
545 R A 0.0000
546 V A 0.0000
547 Y A 0.0000
548 P A 0.0000
549 T A 0.3163
550 L A -0.0005
551 A A 0.0000
552 I A -0.0878
553 Y A -0.5850
554 D A -2.1037
555 N A -2.1632
556 A A 0.0000
557 H A -1.9519
558 L A 0.0000
559 F A 0.0000
560 V A 0.0000
561 F A 0.0000
562 N A 0.0000
563 N A -1.5412
564 G A 0.0000
565 S A -1.4902
566 E A -1.3953
567 T A -1.3200
568 I A 0.0000
569 T A -1.5707
570 I A 0.0000
571 E A -1.8514
572 T A -1.5262
573 L A 0.0000
574 N A -1.0673
575 A A 0.0000
576 W A -1.6269
577 S A -1.4346
578 M A 0.0000
579 D A -1.7744
580 A A -1.0536
581 C A 0.0000
582 K A -1.8794
583 M A -0.9447
584 N A -0.7316
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Laboratory of Theory of Biopolymers 2018