Project name: laccase

Status: done

Started: 2026-03-30 16:50:15
Settings
Chain sequence(s) A: MNGRSLARGDSASASACAGNTPETRDQWCDFDIRSDYYTEVPNTGVTREFWLVLGNTTAAPDGVPRNVLTVNGTSPGPTLHVNWGDWVRIYVYNGLENNGTSIHWHGVRQNHTNPQDGTNSITQCPVPPGGSITYEWQATQYGHTYYHSHFALQAWEGIYGGIVINGPASANYDVDAGILYLSDWSHRTADSLYSSAETDGEPTLATGLMNATNIWVKENNQTIGSRFNMNVTEGQSYRLRLLNPGMSNPFRFMIDDHILTVISTDFVPIKPYNTTSVLIGVGQRYDVIVHANKGKKGSNFWMRAIPQEACAEISNYDIRGIFHYEKPGSKLTNPTTTAFAYTDSCDDEAMSDLVPMVALDASGVGYTSDNEVQVIKNTAGLYKWYMGPTSFMAEWDNPTLLQIENGNTSWTNSSHVVEVEGNEQWVIIDIEMTINVPHPIHLHGHDFYVLAQAEGTFSSNTTLNTVNPPRRDTATLPALGYLVIAFKTDNPGAWLLHCHIGWHQSEGFAMQFVESIDQLKPMIDGKSLERNCATWDQYATQKDIVEDDSGI
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]                                                (00:00:00)
[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 A 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                                          (00:04:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:23)
Show buried residues

Minimal score value
-3.6104
Maximal score value
1.4085
Average score
-0.5669
Total score value
-312.9488

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 0.0670
2 N A -1.5545
3 G A -1.5485
4 R A -1.9538
5 S A -0.9192
6 L A 0.2839
7 A A -0.8419
8 R A -2.1915
9 G A -2.0472
10 D A -2.6637
11 S A -1.5537
12 A A -0.8199
13 S A -0.5903
14 A A -0.1482
15 S A -0.1181
16 A A -0.0399
17 C A -0.2312
18 A A -0.3113
19 G A -1.0446
20 N A -1.1698
21 T A -1.4524
22 P A -1.9400
23 E A -2.6933
24 T A -1.8605
25 R A -1.8888
26 D A -1.8609
27 Q A -1.6380
28 W A 0.0000
29 C A -0.6614
30 D A -1.6036
31 F A -1.1802
32 D A -1.5453
33 I A 0.0000
34 R A -2.0535
35 S A -1.4535
36 D A -0.9791
37 Y A 0.0000
38 Y A -0.3336
39 T A -0.4736
40 E A -0.9990
41 V A -0.4837
42 P A 0.0000
43 N A -1.3388
44 T A -0.7180
45 G A -0.6208
46 V A -0.3574
47 T A -0.5561
48 R A -1.3601
49 E A -1.0211
50 F A 0.0896
51 W A 1.4085
52 L A 0.0000
53 V A 1.1727
54 L A 0.0000
55 G A -0.9620
56 N A -2.0187
57 T A -1.1430
58 T A -0.8731
59 A A -0.5521
60 A A -0.2916
61 P A -0.1581
62 D A 0.0000
63 G A -0.0138
64 V A 0.0829
65 P A -0.7047
66 R A 0.0000
67 N A -1.8879
68 V A 0.0000
69 L A -0.8693
70 T A 0.0000
71 V A 0.0000
72 N A -0.7474
73 G A -1.0451
74 T A -0.7699
75 S A -0.4474
76 P A -0.2679
77 G A 0.0000
78 P A -0.3133
79 T A -0.2521
80 L A 0.0000
81 H A -1.0866
82 V A 0.0000
83 N A -0.8509
84 W A 0.0000
85 G A 0.0000
86 D A 0.0000
87 W A -0.3703
88 V A 0.0000
89 R A -0.9217
90 I A 0.0000
91 Y A 0.8647
92 V A 0.0000
93 Y A 1.1367
94 N A 0.0000
95 G A -0.7850
96 L A 0.0000
97 E A -2.8901
98 N A -2.6034
99 N A -1.5691
100 G A 0.0000
101 T A 0.0000
102 S A 0.0000
103 I A 0.0000
104 H A 0.0000
105 W A 0.0000
106 H A 0.0000
107 G A -0.0476
108 V A 0.0000
109 R A 0.0000
110 Q A 0.0000
111 N A -1.0702
112 H A -1.2613
113 T A -0.7041
114 N A 0.0000
115 P A -0.5936
116 Q A -0.5234
117 D A 0.0000
118 G A 0.0000
119 T A 0.0000
120 N A 0.0000
121 S A 0.0000
122 I A 0.0000
123 T A 0.0000
124 Q A 0.0000
125 C A 0.0000
126 P A 0.0000
127 V A 0.0000
128 P A 0.0000
129 P A -1.1631
130 G A -0.7259
131 G A -0.2308
132 S A 0.2237
133 I A 0.3131
134 T A 0.1853
135 Y A 0.0000
136 E A -0.8974
137 W A 0.0000
138 Q A -0.4000
139 A A 0.0000
140 T A 0.0000
141 Q A 0.0000
142 Y A 0.0000
143 G A 0.0000
144 H A 0.0000
145 T A 0.0000
146 Y A 0.0000
147 Y A 0.0000
148 H A 0.0000
149 S A 0.0000
150 H A 0.0000
151 F A 0.0000
152 A A -0.7233
153 L A 0.0000
154 Q A 0.0000
155 A A 0.0000
156 W A 0.0000
157 E A 0.0000
158 G A 0.0000
159 I A 0.0000
160 Y A 0.1123
161 G A 0.0000
162 G A 0.0000
163 I A 0.0000
164 V A 0.0000
165 I A 0.0000
166 N A -0.8039
167 G A -0.5429
168 P A 0.0000
169 A A 0.0000
170 S A -1.1264
171 A A -1.2483
172 N A -2.0990
173 Y A 0.0000
174 D A -1.6752
175 V A -0.4817
176 D A -0.7396
177 A A -0.4472
178 G A -0.1774
179 I A -0.0114
180 L A 0.0000
181 Y A 0.0000
182 L A 0.0000
183 S A -0.0585
184 D A 0.0000
185 W A -0.2251
186 S A 0.0000
187 H A -1.2294
188 R A -2.3968
189 T A -1.7267
190 A A 0.0000
191 D A -2.0346
192 S A -1.3175
193 L A -0.9212
194 Y A -0.8378
195 S A -0.6439
196 S A -0.8881
197 A A 0.0000
198 E A 0.0000
199 T A -1.0381
200 D A -1.9006
201 G A -1.0844
202 E A -1.0610
203 P A -0.7649
204 T A -0.5059
205 L A 0.0000
206 A A -0.4153
207 T A 0.0000
208 G A 0.0000
209 L A 0.0000
210 M A 0.0000
211 N A -0.3099
212 A A -0.1461
213 T A -0.2696
214 N A 0.0000
215 I A 0.1912
216 W A -0.0100
217 V A -0.5324
218 K A -2.3135
219 E A -3.2397
220 N A -3.2509
221 N A -2.9387
222 Q A -2.3940
223 T A -0.8841
224 I A 0.0018
225 G A -0.0222
226 S A -0.3462
227 R A -0.5531
228 F A -0.2590
229 N A -0.7017
230 M A 0.0000
231 N A -1.8224
232 V A 0.0000
233 T A -1.8066
234 E A -2.6119
235 G A -1.9718
236 Q A -1.2737
237 S A -1.2486
238 Y A 0.0000
239 R A 0.0000
240 L A 0.0000
241 R A 0.0000
242 L A 0.0000
243 L A 0.0000
244 N A 0.0000
245 P A -0.0151
246 G A 0.0000
247 M A 0.0000
248 S A -0.2125
249 N A 0.0000
250 P A -0.1476
251 F A 0.0000
252 R A 0.0000
253 F A 0.0000
254 M A 0.0000
255 I A 0.0000
256 D A 0.0000
257 D A -1.8927
258 H A 0.0000
259 I A -0.0095
260 L A 0.0000
261 T A -0.5105
262 V A 0.0000
263 I A 0.0000
264 S A 0.0000
265 T A 0.0000
266 D A 0.0000
267 F A 0.0000
268 V A 0.0000
269 P A 0.0000
270 I A 0.0000
271 K A -1.3071
272 P A -1.0190
273 Y A 0.0000
274 N A -1.1447
275 T A -0.4489
276 T A -0.0467
277 S A 0.0000
278 V A 0.0000
279 L A 0.0000
280 I A 0.0000
281 G A 0.0000
282 V A 0.0000
283 G A 0.0000
284 Q A 0.0000
285 R A 0.0000
286 Y A 0.0000
287 D A 0.0000
288 V A 0.0000
289 I A 0.0000
290 V A 0.0000
291 H A -1.2427
292 A A 0.0000
293 N A -2.4872
294 K A -2.5196
295 G A -2.4585
296 K A -3.1650
297 K A -2.8273
298 G A -2.3483
299 S A -1.6977
300 N A -1.2418
301 F A 0.0000
302 W A 0.0000
303 M A 0.0000
304 R A -0.2636
305 A A 0.0000
306 I A -0.0965
307 P A 0.0000
308 Q A 0.0000
309 E A -1.8920
310 A A -1.0529
311 C A -0.7671
312 A A -0.7070
313 E A -0.9928
314 I A 0.0000
315 S A -0.3673
316 N A -0.0754
317 Y A 0.0238
318 D A -0.0989
319 I A 0.0000
320 R A -0.4503
321 G A 0.0000
322 I A 0.0000
323 F A 0.0000
324 H A 0.0000
325 Y A 0.0000
326 E A -2.8900
327 K A -2.8665
328 P A -1.5967
329 G A -1.3981
330 S A -1.7866
331 K A -2.0467
332 L A -1.0004
333 T A -0.9364
334 N A -1.4316
335 P A 0.0000
336 T A -0.4321
337 T A -0.5594
338 T A -0.3109
339 A A -0.0941
340 F A 0.1718
341 A A 0.4131
342 Y A 0.4541
343 T A -0.1316
344 D A -1.0490
345 S A -0.8625
346 C A -0.6919
347 D A -1.1291
348 D A 0.0000
349 E A -0.4898
350 A A -0.4068
351 M A -0.2307
352 S A -0.3855
353 D A -1.1044
354 L A 0.0000
355 V A 0.1443
356 P A 0.0000
357 M A -0.5197
358 V A 0.0000
359 A A -0.0566
360 L A -0.1627
361 D A -1.0809
362 A A 0.0000
363 S A -0.3295
364 G A -0.1381
365 V A 1.4051
366 G A -0.0310
367 Y A 0.2507
368 T A 0.0212
369 S A -0.7296
370 D A -2.2343
371 N A 0.0000
372 E A -2.2638
373 V A 0.0000
374 Q A -0.2319
375 V A 0.8378
376 I A 1.0333
377 K A -0.4349
378 N A -0.4895
379 T A -0.3297
380 A A -0.2732
381 G A -0.4996
382 L A -0.1309
383 Y A 0.0468
384 K A 0.0000
385 W A 0.0000
386 Y A 0.1526
387 M A 0.0000
388 G A -1.2005
389 P A -0.6896
390 T A -0.3698
391 S A 0.0000
392 F A 0.0000
393 M A -0.2785
394 A A -0.5930
395 E A -1.1816
396 W A 0.0000
397 D A -2.2630
398 N A -1.4483
399 P A 0.0000
400 T A 0.0000
401 L A 0.0000
402 L A 0.0000
403 Q A 0.0000
404 I A 0.0000
405 E A -2.2841
406 N A -2.2191
407 G A -1.7618
408 N A -1.5136
409 T A -0.8972
410 S A -0.5571
411 W A -0.3132
412 T A -0.5610
413 N A -1.2635
414 S A -0.5626
415 S A 0.0000
416 H A -0.4322
417 V A -0.2418
418 V A -0.1795
419 E A -1.6128
420 V A 0.0000
421 E A -3.1345
422 G A -3.0840
423 N A -3.1000
424 E A -3.6104
425 Q A -2.2784
426 W A 0.0000
427 V A 0.0000
428 I A 0.2031
429 I A 0.0000
430 D A 0.0000
431 I A 0.0000
432 E A -1.5138
433 M A 0.0000
434 T A -0.4431
435 I A 0.0825
436 N A -0.5326
437 V A 0.2136
438 P A 0.0423
439 H A 0.0000
440 P A 0.0000
441 I A 0.0000
442 H A 0.0000
443 L A 0.0000
444 H A 0.0000
445 G A 0.0000
446 H A 0.0000
447 D A 0.0000
448 F A 0.0000
449 Y A 0.0000
450 V A 0.0000
451 L A 0.0000
452 A A 0.0000
453 Q A -0.5329
454 A A -0.8683
455 E A -1.7806
456 G A -0.9185
457 T A -0.3205
458 F A -0.2731
459 S A -0.4903
460 S A -0.7566
461 N A -1.3009
462 T A -0.6342
463 T A -0.4277
464 L A -0.0601
465 N A -0.6195
466 T A -0.1749
467 V A 0.8921
468 N A 0.1411
469 P A 0.0000
470 P A 0.0000
471 R A 0.0000
472 R A 0.0000
473 D A 0.0000
474 T A 0.0000
475 A A 0.0000
476 T A 0.0000
477 L A 0.0000
478 P A 0.0000
479 A A -0.4111
480 L A -0.0603
481 G A 0.0000
482 Y A -0.6119
483 L A 0.0000
484 V A 0.0000
485 I A 0.0000
486 A A 0.0000
487 F A 0.0000
488 K A -1.7132
489 T A 0.0000
490 D A -2.5782
491 N A 0.0000
492 P A 0.0000
493 G A 0.0000
494 A A 0.0000
495 W A 0.0000
496 L A 0.0000
497 L A 0.0000
498 H A 0.0000
499 C A 0.0000
500 H A 0.0000
501 I A 0.0000
502 G A 0.0000
503 W A 0.0000
504 H A 0.0000
505 Q A 0.0000
506 S A 0.0000
507 E A 0.0000
508 G A 0.0000
509 F A 0.0000
510 A A 0.0000
511 M A 0.0000
512 Q A 0.0000
513 F A 0.0000
514 V A 0.0000
515 E A 0.0000
516 S A -1.9770
517 I A -1.4727
518 D A -2.4224
519 Q A -1.8167
520 L A 0.0000
521 K A -2.0766
522 P A -1.3933
523 M A -1.1133
524 I A 0.0000
525 D A -2.7312
526 G A -2.8563
527 K A -3.3212
528 S A -2.5315
529 L A 0.0000
530 E A -3.3377
531 R A -3.1836
532 N A -2.2897
533 C A 0.0000
534 A A -2.0476
535 T A -1.7525
536 W A 0.0000
537 D A -2.8885
538 Q A -2.6377
539 Y A -2.1552
540 A A -2.3048
541 T A -2.2119
542 Q A -2.9991
543 K A -3.2602
544 D A -2.4327
545 I A -1.2105
546 V A 0.1646
547 E A -1.4406
548 D A -1.9430
549 D A -1.1782
550 S A 0.0000
551 G A 0.0000
552 I A 0.0000
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Laboratory of Theory of Biopolymers 2018