Project name: Pf SLTRiP

Status: done

Started: 2026-04-28 16:27:47
Settings
Chain sequence(s) A: MNLEQFKNINKDLATNLFSQLSFLKNENKFLSQGKSLIKFLIGIAIFLVVLIFIKSSHPALKEKKKKVLEFFENLVLNKKKKENITAAIASKELADAETTDTSDSEDEDHIINKKVKRRKRNIINNPDEKVHNVKEKNSKSKNEEDKTDESYNETSLLSSDEEGEVNLEDWKKNEWIKWMDETEEEWQLLKLWLEGEKNKWLEGKNKEYDIWLNHMNSKWTNYNKDIDEEYDSNVFKDSYKWNEKQWEQWMKTEGKEFMLQDFKRWLEDSEGYLKSWLIKQWIQWKNMKILECLMNEWRREEDEKWSNLEDTDQIRVLNHKDRKEWLRWKERVTREKLEWKHWVEMKENMNIYNKWKKWIKWKKNKLANFNEWSKNFIEKWIREKQWNNWINERKKYTSQRKSLEQQFGDNMDKMNKLKKKKILKFFPLFNYKSDLESIMEEDENEYNSFDENEEENDEKTGDVNVGKTEALNVAKTEGLNVGKTEDLNVAKTEDLNVAKTADLNAEKTTDLNSEKTADLNSDKTTDLNPEKTTNFNTYKATDLNANKTADLNSDKTTDLNSDKTTNFNTYRTTDLNSDKTTNFNTYKTDLYAEKTTDVNLGKTTNHNVAKTTDQKVVKHSLDHEVRQMIDQKVAQIMNHDLESTAEQKAEKKGGKAKAKTKVRTVDDDGNEINV
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                                          (00:18:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:40)
Show buried residues

Minimal score value
-5.1768
Maximal score value
4.9313
Average score
-1.5026
Total score value
-1014.2819

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 0.3026
2 N A -1.2760
3 L A -0.4047
4 E A -2.6116
5 Q A -2.4439
6 F A -1.5735
7 K A -3.2176
8 N A -3.1547
9 I A -1.2279
10 N A -1.8834
11 K A -2.8752
12 D A -1.8370
13 L A 0.0889
14 A A -0.1852
15 T A -0.3240
16 N A -0.7913
17 L A 0.8537
18 F A 1.9637
19 S A 0.7264
20 Q A 0.3245
21 L A 0.8974
22 S A 0.2108
23 F A 0.9796
24 L A -0.1456
25 K A -2.3329
26 N A -2.7143
27 E A -3.1502
28 N A -2.9740
29 K A -1.9004
30 F A 0.9116
31 L A 1.2372
32 S A -0.2326
33 Q A -0.8231
34 G A -0.6131
35 K A -1.4548
36 S A -0.6862
37 L A 0.7882
38 I A 0.6625
39 K A -0.1112
40 F A 2.3596
41 L A 2.7378
42 I A 2.4799
43 G A 2.7040
44 I A 3.6539
45 A A 3.3896
46 I A 4.7266
47 F A 4.9313
48 L A 4.3142
49 V A 4.1615
50 V A 4.2604
51 L A 3.2331
52 I A 2.9550
53 F A 3.0572
54 I A 1.7697
55 K A -0.2592
56 S A 0.2749
57 S A -0.1407
58 H A -0.8930
59 P A -1.6760
60 A A -1.8622
61 L A -2.0273
62 K A -3.7327
63 E A -4.4464
64 K A -4.4853
65 K A -4.3584
66 K A -4.5787
67 K A -4.0923
68 V A -2.3347
69 L A -2.1103
70 E A -2.7642
71 F A -0.2774
72 F A 0.0000
73 E A -1.8742
74 N A -1.3022
75 L A -0.7508
76 V A -1.3290
77 L A -1.6222
78 N A -3.2703
79 K A -3.7973
80 K A -4.2786
81 K A -4.3153
82 K A -4.3310
83 E A -4.1074
84 N A -3.0750
85 I A -0.7239
86 T A -0.8107
87 A A -0.7773
88 A A 0.0159
89 I A 0.9128
90 A A -0.0532
91 S A -0.4395
92 K A -2.1415
93 E A -2.2543
94 L A -0.6690
95 A A -1.7038
96 D A -2.9447
97 A A -2.1271
98 E A -2.7158
99 T A -1.6681
100 T A -1.7836
101 D A -2.2321
102 T A -1.6427
103 S A -1.5234
104 D A -2.4280
105 S A -2.4708
106 E A -3.5822
107 D A -4.1768
108 E A -3.9371
109 D A -2.7902
110 H A -1.5132
111 I A 1.0293
112 I A 1.2599
113 N A -1.2299
114 K A -2.7081
115 K A -2.8185
116 V A -1.9635
117 K A -4.3157
118 R A -5.1768
119 R A -4.5132
120 K A -3.8604
121 R A -3.7554
122 N A -2.2925
123 I A 0.7285
124 I A 0.9847
125 N A -1.2277
126 N A -1.8464
127 P A -2.4227
128 D A -3.5833
129 E A -3.2570
130 K A -2.4437
131 V A -0.2800
132 H A -0.7126
133 N A -1.0298
134 V A -0.2551
135 K A -2.3913
136 E A -3.5813
137 K A -3.6610
138 N A -2.9903
139 S A -2.0679
140 K A -2.5732
141 S A -2.3012
142 K A -3.2386
143 N A -3.8392
144 E A -4.2073
145 E A -4.2591
146 D A -4.0553
147 K A -3.4032
148 T A -2.5483
149 D A -2.9928
150 E A -2.6605
151 S A -1.4015
152 Y A -0.4118
153 N A -1.8307
154 E A -2.0781
155 T A -0.5865
156 S A 0.2792
157 L A 1.6915
158 L A 1.8024
159 S A 0.1304
160 S A -1.8319
161 D A -3.2469
162 E A -4.0942
163 E A -3.6367
164 G A -3.0088
165 E A -3.3944
166 V A -1.2326
167 N A -1.8413
168 L A -0.8154
169 E A -1.9289
170 D A -1.8585
171 W A -0.7745
172 K A -1.4322
173 K A -1.7901
174 N A -1.6454
175 E A -1.7846
176 W A 0.0000
177 I A -1.0030
178 K A -2.8456
179 W A 0.0000
180 M A -2.1325
181 D A -3.7428
182 E A -3.9081
183 T A 0.0000
184 E A -3.2994
185 E A -3.7039
186 E A -2.3552
187 W A 0.0000
188 Q A -1.6192
189 L A -0.9089
190 L A 0.0000
191 K A -1.0305
192 L A -0.0680
193 W A -0.1126
194 L A 0.0000
195 E A -0.9685
196 G A -1.0500
197 E A -1.4392
198 K A -1.4798
199 N A -2.1429
200 K A -2.7815
201 W A -1.6800
202 L A -2.0398
203 E A -3.1302
204 G A -2.3479
205 K A 0.0000
206 N A -2.1877
207 K A -2.6942
208 E A -1.8282
209 Y A 0.0000
210 D A -2.0836
211 I A -0.2291
212 W A 0.0000
213 L A -1.1589
214 N A -1.7262
215 H A -1.4851
216 M A 0.0000
217 N A -1.3064
218 S A -1.4147
219 K A -1.2021
220 W A 0.0000
221 T A -1.0797
222 N A -1.6783
223 Y A -1.5361
224 N A -2.1078
225 K A -3.1912
226 D A -3.6868
227 I A 0.0000
228 D A -3.4195
229 E A -3.8064
230 E A -2.6855
231 Y A 0.0000
232 D A -3.0660
233 S A -2.5309
234 N A -2.7651
235 V A 0.0000
236 F A 0.0000
237 K A -2.6493
238 D A -1.9317
239 S A -1.0676
240 Y A -0.3361
241 K A -1.8050
242 W A -2.1940
243 N A -3.0478
244 E A -3.9777
245 K A -3.6737
246 Q A -3.0788
247 W A 0.0000
248 E A -3.3949
249 Q A -2.7058
250 W A 0.0000
251 M A 0.0000
252 K A -2.5195
253 T A -2.0032
254 E A -2.1151
255 G A 0.0000
256 K A -2.4247
257 E A -2.6210
258 F A 0.0000
259 M A 0.0000
260 L A -1.3828
261 Q A -1.7470
262 D A 0.0000
263 F A 0.0000
264 K A -2.7697
265 R A -3.1337
266 W A -2.1791
267 L A -2.1905
268 E A -3.4209
269 D A -3.0236
270 S A 0.0000
271 E A -1.3874
272 G A -1.1133
273 Y A 0.2602
274 L A 0.0000
275 K A -0.3099
276 S A -0.2109
277 W A -0.2125
278 L A 0.0000
279 I A 0.0041
280 K A -1.5607
281 Q A -1.0060
282 W A 0.0000
283 I A -0.3300
284 Q A -1.3816
285 W A 0.0000
286 K A -0.6513
287 N A -0.7212
288 M A 0.0519
289 K A 0.0000
290 I A 0.6904
291 L A 0.6469
292 E A -0.1313
293 C A 0.0000
294 L A 0.4825
295 M A -0.3773
296 N A -1.4236
297 E A -2.5435
298 W A -1.9388
299 R A 0.0000
300 R A -3.3644
301 E A -4.1703
302 E A -3.0999
303 D A -2.9424
304 E A -4.2928
305 K A -3.8801
306 W A 0.0000
307 S A -2.9303
308 N A -3.3392
309 L A -2.4609
310 E A -2.9237
311 D A -2.9674
312 T A -2.3689
313 D A -2.6255
314 Q A -1.7158
315 I A -1.5691
316 R A -1.6763
317 V A 0.1218
318 L A -1.1401
319 N A -2.4850
320 H A -3.1052
321 K A -3.8758
322 D A -3.1720
323 R A -3.2448
324 K A -3.5134
325 E A -3.8982
326 W A 0.0000
327 L A -1.5467
328 R A -2.4530
329 W A -1.8824
330 K A -1.7392
331 E A -2.8162
332 R A 0.0000
333 V A -1.4320
334 T A -2.0586
335 R A -2.8160
336 E A 0.0000
337 K A -2.6965
338 L A -1.7864
339 E A -1.9706
340 W A -1.5887
341 K A -2.3152
342 H A -1.9129
343 W A -0.9543
344 V A 0.0000
345 E A -1.4519
346 M A -0.5611
347 K A 0.0000
348 E A -0.5805
349 N A -1.0559
350 M A 0.0199
351 N A -0.5560
352 I A 0.0000
353 Y A 0.0160
354 N A -1.3887
355 K A -2.0060
356 W A -2.0117
357 K A -3.0282
358 K A -2.8862
359 W A 0.0000
360 I A -2.3536
361 K A -3.3394
362 W A 0.0000
363 K A -2.2796
364 K A -3.0538
365 N A -2.7805
366 K A -2.0580
367 L A -1.5073
368 A A -1.6938
369 N A -2.0897
370 F A 0.0000
371 N A -2.1035
372 E A -2.9654
373 W A -2.0214
374 S A 0.0000
375 K A -3.2698
376 N A -3.0373
377 F A 0.0000
378 I A 0.0000
379 E A -3.1784
380 K A -3.2306
381 W A 0.0000
382 I A -3.1627
383 R A -3.5588
384 E A -3.4968
385 K A -3.5887
386 Q A -2.2678
387 W A 0.0000
388 N A -2.0973
389 N A -2.4733
390 W A 0.0000
391 I A -0.6524
392 N A -2.2196
393 E A -2.6751
394 R A -2.4944
395 K A -3.1145
396 K A -3.1578
397 Y A -2.2572
398 T A -2.2755
399 S A -2.6262
400 Q A -2.8924
401 R A -2.8364
402 K A -2.9453
403 S A -2.3693
404 L A -2.3411
405 E A -3.0240
406 Q A -3.0646
407 Q A -2.5539
408 F A -2.0653
409 G A -2.1182
410 D A -2.7409
411 N A -2.1583
412 M A -1.3382
413 D A -2.9532
414 K A -2.9199
415 M A -1.8833
416 N A -2.6778
417 K A -3.2265
418 L A -2.0727
419 K A -2.8751
420 K A -3.7439
421 K A -3.2535
422 K A -2.5798
423 I A 0.2339
424 L A 0.0768
425 K A -0.6323
426 F A 2.2113
427 F A 2.7393
428 P A 1.8209
429 L A 2.7576
430 F A 2.2625
431 N A -0.1706
432 Y A 0.0260
433 K A -2.0581
434 S A -1.7557
435 D A -2.0328
436 L A -1.0548
437 E A -2.3109
438 S A -1.3425
439 I A 0.2300
440 M A -1.7097
441 E A -3.4314
442 E A -3.8191
443 D A -3.4787
444 E A -4.1125
445 N A -3.7201
446 E A -2.7228
447 Y A -0.9190
448 N A -1.5222
449 S A -0.5941
450 F A 0.2216
451 D A -2.2997
452 E A -3.5799
453 N A -3.8464
454 E A -4.4423
455 E A -4.4000
456 E A -4.2772
457 N A -3.9963
458 D A -3.9979
459 E A -3.7738
460 K A -3.0574
461 T A -1.9204
462 G A -1.3044
463 D A -1.4692
464 V A 0.5196
465 N A -0.2550
466 V A 0.8609
467 G A -0.9766
468 K A -2.1047
469 T A -1.9485
470 E A -1.9365
471 A A -0.6280
472 L A 0.9139
473 N A 0.3577
474 V A 1.1329
475 A A -0.2050
476 K A -1.7300
477 T A -1.9020
478 E A -2.1245
479 G A -0.8467
480 L A 0.6326
481 N A 0.1669
482 V A 0.8774
483 G A -0.7026
484 K A -2.0102
485 T A -2.2125
486 E A -2.8078
487 D A -2.2234
488 L A 0.0136
489 N A -0.0697
490 V A 1.1264
491 A A -0.1220
492 K A -1.7201
493 T A -2.1406
494 E A -2.7897
495 D A -2.1838
496 L A 0.0063
497 N A 0.0450
498 V A 1.1926
499 A A -0.1736
500 K A -1.3517
501 T A -1.3578
502 A A -1.0157
503 D A -1.2768
504 L A 0.0999
505 N A -1.2737
506 A A -1.7154
507 E A -2.9952
508 K A -2.6889
509 T A -1.6330
510 T A -1.0046
511 D A -1.3281
512 L A -0.0363
513 N A -1.3847
514 S A -1.7844
515 E A -3.0247
516 K A -2.6562
517 T A -1.6460
518 A A -0.9421
519 D A -1.2907
520 L A 0.0137
521 N A -1.3695
522 S A -1.9294
523 D A -3.0205
524 K A -2.6559
525 T A -1.7002
526 T A -1.0361
527 D A -1.3675
528 L A -0.1138
529 N A -1.2743
530 P A -1.7323
531 E A -3.1006
532 K A -2.7410
533 T A -1.4465
534 T A -0.7786
535 N A -0.7276
536 F A 0.7966
537 N A -0.5927
538 T A -0.0125
539 Y A 0.3720
540 K A -1.3983
541 A A -0.8232
542 T A -0.9169
543 D A -1.5539
544 L A 0.0530
545 N A -1.2093
546 A A -1.1982
547 N A -2.3945
548 K A -2.3603
549 T A -1.5278
550 A A -0.9132
551 D A -1.2410
552 L A -0.0344
553 N A -1.4153
554 S A -1.9239
555 D A -3.0126
556 K A -2.6507
557 T A -1.6958
558 T A -1.0225
559 D A -1.2507
560 L A -0.0932
561 N A -1.3977
562 S A -1.8002
563 D A -3.0695
564 K A -2.7333
565 T A -1.5728
566 T A -0.6406
567 N A -0.6224
568 F A 0.6522
569 N A -0.3806
570 T A -0.0560
571 Y A -0.0271
572 R A -1.1819
573 T A -1.1446
574 T A -1.1278
575 D A -1.3535
576 L A 0.0135
577 N A -1.4298
578 S A -1.8939
579 D A -3.0153
580 K A -2.6398
581 T A -1.4626
582 T A -0.7095
583 N A -0.5806
584 F A 0.5050
585 N A -0.4444
586 T A 0.0041
587 Y A 0.1078
588 K A -1.6092
589 T A -1.2510
590 D A -1.0927
591 L A 1.1771
592 Y A 1.3321
593 A A -0.1550
594 E A -2.4132
595 K A -2.8713
596 T A -1.8770
597 T A -1.1032
598 D A -1.4514
599 V A 0.6255
600 N A 0.0210
601 L A 0.6716
602 G A -0.8365
603 K A -1.6762
604 T A -1.4063
605 T A -1.3105
606 N A -2.0776
607 H A -1.8401
608 N A -1.3111
609 V A 0.5291
610 A A -0.4420
611 K A -1.7694
612 T A -1.4794
613 T A -1.5346
614 D A -2.6052
615 Q A -2.7590
616 K A -2.5000
617 V A -0.1848
618 V A -0.4650
619 K A -2.2038
620 H A -2.0450
621 S A -1.0694
622 L A -0.6667
623 D A -2.7433
624 H A -2.7167
625 E A -2.4295
626 V A -1.3571
627 R A -2.5242
628 Q A -2.5242
629 M A -0.6636
630 I A -0.1920
631 D A -1.4840
632 Q A -1.2258
633 K A -0.5701
634 V A 1.2913
635 A A 0.1803
636 Q A -0.2185
637 I A 1.2493
638 M A 0.6157
639 N A -0.5533
640 H A -1.5619
641 D A -1.7480
642 L A -1.0086
643 E A -3.2930
644 S A -2.4856
645 T A -1.9920
646 A A -2.9061
647 E A -4.2911
648 Q A -3.4471
649 K A -4.2926
650 A A -4.4277
651 E A -4.7892
652 K A -4.4712
653 K A -4.3104
654 G A -3.0834
655 G A -3.1456
656 K A -3.1750
657 A A -2.8231
658 K A -3.0166
659 A A -2.5125
660 K A -2.7525
661 T A -1.9093
662 K A -2.2051
663 V A -1.1891
664 R A -2.0438
665 T A -0.7572
666 V A -0.9209
667 D A -2.1529
668 D A -2.9522
669 D A -3.3291
670 G A -2.4183
671 N A -2.7901
672 E A -2.3048
673 I A -0.4682
674 N A -1.2426
675 V A 0.3685
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Laboratory of Theory of Biopolymers 2018