Project name: query_structure

Chain sequence(s)	A: DRALFARILRYVWPYRLQVVLALLFLLVVTLAAAATPLFFKWAIDLALVPTEPRPLAERFHLLLWISLGFLAVRAVHFAATYGETYLIQWVGQRVLFDLRSDLFAKLMRLHPGFYDRNPVGRLMTRVTSDVDAINQFITGGLVGVIADLFTLVGLLGFMLFLSPKLTLVVLLVAPVLLAVTTWVRLGMRSAYREMRLRLARVNAALQENLSGVETIQLFVKEREREEKFDRLNRDLFRAWVEIIRWFALFFPVVGFLGDFAVASLVYYGGGEVVRGAVSLGLLVAFVDYTRQLFQPLQDLSDKFNLFQGAMASAERIFGVLDTEEELKDPEDPTPIRGFRGEVEFRDVWLAYTPKGVEPTEKDWVLKGVSFRVRPGEKVALVGATGAGKTSVVSLIARFYDPQRGCVFLDGVDVRRYRQEELRRHVGIVLQEPFLFSGTVLDNLRLFDPSVPPERVEEVARFLGAHEFILRLPKGYQTVLGERGAGLSTGEKQLLALVRALLASPDILLILDEATASVDSETEKRLQEALYKAMEGRTSLIIAHRLSTIRHVDRILVFRKGRLVEEGSHEELLAKGGYYAALYRLQFQ; C: QLVESGGGLVQPGDSLRLSCAVSGSALDYNAIGWFRQAPGKEREGVACISKITGNTAYADSVKGRFTISRDNAKNTVHLQMNSLKPEDTAVYYCATVTAVLLPGRCVPGKYWGQGTPVTVS; B: SAAPLLRRLWPYVGRYRWRYLWAVLAGLVSIFFFVLTPYFLRLAVDAVQAGRGFGVYALAIVASAALSGLLSYAMRRLAVVASRQVEYDLRRDLLHHLLTLDRDFYHKHRVGDLMNRLNTDLSAVREMVGPGILMGSRLSFLVLLAFLSMYAVNARLAFYLTLILPGIFLAMRFLLRLIDRRYREAQEVFDRISTLAQEAFSGIRVVKGYALERRMVAWFQDLNRLYVEKSLALARVEGPLHALLGFLMGFAFLTVLWAGGAMVVRGELSVGELVQFNAYLAQLTWPILGLGWVMALYQRGLTSLRRLFELLDEKPAIRDEDPLPLALEDLSGEVRFEGVGLKRDGRWLLRGLTLTIPEGMTLGITGRTGSGKSLLAALVPRLLDPSEGRVYVGGHEARRIPLAVLRKAVGVAPQEPFLFSETILENIAFGLDEVDRERVEWAARLAGIHEEILAFPKGYETVLGERGITLSGGQRQRVALARALAKRPKILILDDALSAVDAETEARILQGLKTVLGKQTTLLISHRTAALRHADWIIVLDGGRIVEEGTHESLLQAGGLYAEMDRLQKE
Selected Chain(s)	A,C,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:27:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:27:52)

• Minimal score value: -4.3052
• Maximal score value: 2.5966
• Average score: -0.552
• Total score value: -706.6205

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
11	D	A	-2.8774
12	R	A	-2.5910
13	A	A	-1.3664
14	L	A	-1.5647
15	F	A	-1.1400
16	A	A	-1.1914
17	R	A	-1.6832
18	I	A	0.0000
19	L	A	-0.7591
20	R	A	-1.8830
21	Y	A	-1.0142
22	V	A	0.0000
23	W	A	-0.5554
24	P	A	-0.4947
25	Y	A	-0.2794
26	R	A	-0.5536
27	L	A	1.4089
28	Q	A	1.0404
29	V	A	1.4823
30	V	A	2.2873
31	L	A	2.1636
32	A	A	0.0000
33	L	A	2.5364
34	L	A	2.4719
35	F	A	2.3418
36	L	A	0.0000
37	L	A	2.1492
38	V	A	2.0980
39	V	A	1.7335
40	T	A	1.3518
41	L	A	1.7177
42	A	A	0.0000
43	A	A	0.5497
44	A	A	0.0000
45	A	A	0.3984
46	T	A	0.0000
47	P	A	0.0000
48	L	A	0.0000
49	F	A	0.0000
50	F	A	0.0000
51	K	A	-0.1449
52	W	A	0.3705
53	A	A	0.4509
54	I	A	0.0000
55	D	A	0.1203
56	L	A	0.4015
57	A	A	0.6440
58	L	A	1.2169
59	V	A	0.4070
60	P	A	-0.3488
61	T	A	-0.8019
62	E	A	-2.0650
63	P	A	-1.5685
64	R	A	-2.3216
65	P	A	-1.3756
66	L	A	-0.0273
67	A	A	-0.5862
68	E	A	-0.6293
69	R	A	-1.1031
70	F	A	0.5749
71	H	A	-0.0350
72	L	A	0.7504
73	L	A	0.0000
74	L	A	1.3395
75	W	A	1.9366
76	I	A	0.0000
77	S	A	0.0000
78	L	A	2.1561
79	G	A	1.2260
80	F	A	0.0000
81	L	A	1.9628
82	A	A	1.3620
83	V	A	1.5153
84	R	A	0.0000
85	A	A	1.4640
86	V	A	2.2170
87	H	A	1.7355
88	F	A	1.5254
89	A	A	1.2812
90	A	A	0.0000
91	T	A	0.8482
92	Y	A	0.5680
93	G	A	0.6942
94	E	A	0.8267
95	T	A	-0.0563
96	Y	A	0.0344
97	L	A	0.7798
98	I	A	0.5196
99	Q	A	-0.1334
100	W	A	0.2147
101	V	A	0.0000
102	G	A	0.0000
103	Q	A	0.0000
104	R	A	-0.8179
105	V	A	0.0000
106	L	A	0.0000
107	F	A	-0.8801
108	D	A	-1.0743
109	L	A	0.0000
110	R	A	0.0000
111	S	A	-0.9548
112	D	A	-1.6110
113	L	A	0.0000
114	F	A	0.0000
115	A	A	-1.2830
116	K	A	-1.7989
117	L	A	0.0000
118	M	A	0.0000
119	R	A	-2.6715
120	L	A	0.0000
121	H	A	0.0000
122	P	A	0.0000
123	G	A	-1.4353
124	F	A	0.0000
125	Y	A	-1.4598
126	D	A	-2.5892
127	R	A	-2.7772
128	N	A	-1.7856
129	P	A	-1.2070
130	V	A	-0.7209
131	G	A	-1.4046
132	R	A	-1.5285
133	L	A	0.0000
134	M	A	-0.5476
135	T	A	-1.1059
136	R	A	-0.8371
137	V	A	0.0000
138	T	A	-0.3592
139	S	A	-0.6064
140	D	A	0.0000
141	V	A	0.0000
142	D	A	-1.4257
143	A	A	-0.9865
144	I	A	0.0000
145	N	A	-1.1788
146	Q	A	-1.5152
147	F	A	0.0000
148	I	A	-0.2214
149	T	A	-0.3726
150	G	A	-0.3254
151	G	A	0.0000
152	L	A	0.5533
153	V	A	0.9280
154	G	A	0.4598
155	V	A	1.0581
156	I	A	1.5100
157	A	A	1.0535
158	D	A	0.9440
159	L	A	1.8431
160	F	A	1.8796
161	T	A	1.2967
162	L	A	1.4542
163	V	A	2.2333
164	G	A	1.4992
165	L	A	0.0000
166	L	A	1.4320
167	G	A	1.3781
168	F	A	1.6286
169	M	A	0.0000
170	L	A	1.9405
171	F	A	2.4967
172	L	A	1.2955
173	S	A	0.0000
174	P	A	0.4334
175	K	A	-0.3091
176	L	A	0.0000
177	T	A	0.0000
178	L	A	1.8173
179	V	A	0.0000
180	V	A	0.0000
181	L	A	1.9391
182	L	A	1.8801
183	V	A	0.0000
184	A	A	1.6001
185	P	A	1.5544
186	V	A	2.4103
187	L	A	1.9596
188	L	A	2.2345
189	A	A	1.4602
190	V	A	1.2445
191	T	A	0.9347
192	T	A	0.6268
193	W	A	0.9937
194	V	A	0.0000
195	R	A	-0.8885
196	L	A	0.4773
197	G	A	0.0000
198	M	A	-1.0874
199	R	A	-2.4425
200	S	A	-1.6853
201	A	A	0.0000
202	Y	A	-1.9979
203	R	A	-3.1165
204	E	A	-2.8519
205	M	A	0.0000
206	R	A	-2.2476
207	L	A	-0.7713
208	R	A	-1.8508
209	L	A	-0.9581
210	A	A	-1.0166
211	R	A	-1.9955
212	V	A	0.0000
213	N	A	-1.1957
214	A	A	-1.1093
215	A	A	-0.9969
216	L	A	0.0000
217	Q	A	-1.3248
218	E	A	-0.6942
219	N	A	0.0000
220	L	A	0.0000
221	S	A	-0.7111
222	G	A	0.0000
223	V	A	0.0000
224	E	A	-1.0680
225	T	A	0.0000
226	I	A	0.0000
227	Q	A	0.0000
228	L	A	0.0000
229	F	A	0.0000
230	V	A	-0.6010
231	K	A	-1.4157
232	E	A	-2.0301
233	R	A	-2.8458
234	E	A	-2.2947
235	R	A	0.0000
236	E	A	-2.5473
237	E	A	-2.5503
238	K	A	-2.3512
239	F	A	0.0000
240	D	A	-2.3482
241	R	A	-2.9977
242	L	A	-2.4499
243	N	A	0.0000
244	R	A	-2.6553
245	D	A	-3.0141
246	L	A	0.0000
247	F	A	-1.5150
248	R	A	-2.4931
249	A	A	0.0000
250	W	A	-1.0853
251	V	A	-0.7699
252	E	A	-1.0348
253	I	A	0.0000
254	I	A	0.0000
255	R	A	-0.8895
256	W	A	0.1052
257	F	A	0.2868
258	A	A	0.0000
259	L	A	0.7538
260	F	A	0.0000
261	F	A	0.7796
262	P	A	0.0000
263	V	A	1.1022
264	V	A	0.0000
265	G	A	0.3361
266	F	A	1.1556
267	L	A	0.0000
268	G	A	0.0000
269	D	A	0.3733
270	F	A	0.9741
271	A	A	0.0000
272	V	A	0.0000
273	A	A	0.0000
274	S	A	0.0000
275	L	A	0.0000
276	V	A	0.0000
277	Y	A	1.6722
278	Y	A	1.1124
279	G	A	0.0000
280	G	A	0.0000
281	G	A	-0.2653
282	E	A	-0.9034
283	V	A	-0.4619
284	V	A	-0.5970
285	R	A	-1.7431
286	G	A	-1.1004
287	A	A	-0.7294
288	V	A	0.0000
289	S	A	-0.3558
290	L	A	0.0562
291	G	A	0.0000
292	L	A	0.0000
293	L	A	0.0000
294	V	A	0.0000
295	A	A	0.0000
296	F	A	0.0000
297	V	A	0.0000
298	D	A	0.0000
299	Y	A	0.0000
300	T	A	0.0000
301	R	A	-0.5289
302	Q	A	-0.4092
303	L	A	0.0000
304	F	A	0.0000
305	Q	A	-0.4808
306	P	A	0.0000
307	L	A	-0.0167
308	Q	A	0.0000
309	D	A	-0.9067
310	L	A	-0.2248
311	S	A	-0.8998
312	D	A	-1.5107
313	K	A	-1.2659
314	F	A	-0.7441
315	N	A	-1.6907
316	L	A	-0.5212
317	F	A	-0.1879
318	Q	A	-1.2856
319	G	A	-0.9259
320	A	A	0.0000
321	M	A	-1.0059
322	A	A	-1.1446
323	S	A	0.0000
324	A	A	0.0000
325	E	A	-2.4871
326	R	A	-2.0111
327	I	A	0.0000
328	F	A	0.0000
329	G	A	-2.0089
330	V	A	0.0000
331	L	A	-1.7196
332	D	A	-2.4719
333	T	A	-2.1494
334	E	A	-3.2950
335	E	A	-3.2693
336	E	A	-2.5002
337	L	A	0.0000
338	K	A	-3.4823
339	D	A	-3.9752
340	P	A	0.0000
341	E	A	-3.9345
342	D	A	-3.5727
343	P	A	-2.6326
344	T	A	-1.6268
345	P	A	-1.4929
346	I	A	0.0000
347	R	A	-2.0931
348	G	A	-1.8313
349	F	A	-1.6141
350	R	A	-2.5273
351	G	A	0.0000
352	E	A	-1.7535
353	V	A	0.0000
354	E	A	0.0000
355	F	A	0.0000
356	R	A	-2.9645
357	D	A	-3.0387
358	V	A	0.0000
359	W	A	-1.2645
360	L	A	0.0000
361	A	A	0.0000
362	Y	A	0.0589
363	T	A	-0.4117
364	P	A	-1.0435
365	K	A	-2.2226
366	G	A	-1.0449
367	V	A	0.0079
368	E	A	-1.6776
369	P	A	-1.6035
370	T	A	-1.9136
371	E	A	-3.0741
372	K	A	-2.9005
373	D	A	-1.8692
374	W	A	0.0000
375	V	A	-0.7528
376	L	A	0.0000
377	K	A	-1.4158
378	G	A	-1.7137
379	V	A	0.0000
380	S	A	-1.7695
381	F	A	0.0000
382	R	A	-1.6812
383	V	A	0.0000
384	R	A	-2.7878
385	P	A	-2.0957
386	G	A	-2.1922
387	E	A	-2.2034
388	K	A	-1.9675
389	V	A	0.0000
390	A	A	0.0000
391	L	A	0.0000
392	V	A	0.0000
393	G	A	-0.6741
394	A	A	-0.7234
395	T	A	-0.8506
396	G	A	-1.0108
397	A	A	0.0000
398	G	A	-0.8522
399	K	A	-0.5647
400	T	A	-0.2995
401	S	A	0.0000
402	V	A	0.0000
403	V	A	0.0000
404	S	A	0.0000
405	L	A	0.0000
406	I	A	0.0000
407	A	A	0.0000
408	R	A	0.0000
409	F	A	0.0000
410	Y	A	-0.3095
411	D	A	-1.0005
412	P	A	-0.9206
413	Q	A	-1.5129
414	R	A	-2.0679
415	G	A	-2.0297
416	C	A	-1.3594
417	V	A	0.0000
418	F	A	-0.4557
419	L	A	0.0000
420	D	A	0.0000
421	G	A	-0.4310
422	V	A	-0.2966
423	D	A	-0.7835
424	V	A	0.0000
425	R	A	-3.1582
426	R	A	-3.5899
427	Y	A	0.0000
428	R	A	-3.2571
429	Q	A	-2.6580
430	E	A	-2.9011
431	E	A	-2.0286
432	L	A	0.0000
433	R	A	0.0000
434	R	A	-1.1827
435	H	A	-1.0614
436	V	A	0.0000
437	G	A	0.0000
438	I	A	0.0000
439	V	A	0.0000
440	L	A	-0.9809
441	Q	A	-1.9999
442	E	A	-2.3252
443	P	A	0.0000
444	F	A	-0.6883
445	L	A	0.0000
446	F	A	0.0000
447	S	A	-0.6808
448	G	A	-0.1248
449	T	A	0.1263
450	V	A	0.0000
451	L	A	-0.3700
452	D	A	-0.7194
453	N	A	0.0000
454	L	A	0.0000
455	R	A	-0.4919
456	L	A	0.0000
457	F	A	-0.3287
458	D	A	-0.6219
459	P	A	-0.5431
460	S	A	-0.3217
461	V	A	-0.4586
462	P	A	-1.1356
463	P	A	-1.8687
464	E	A	-2.9857
465	R	A	-2.5338
466	V	A	0.0000
467	E	A	-3.3489
468	E	A	-3.3900
469	V	A	0.0000
470	A	A	0.0000
471	R	A	-2.6739
472	F	A	-0.7562
473	L	A	0.0000
474	G	A	-1.5582
475	A	A	0.0000
476	H	A	-1.9319
477	E	A	-2.0592
478	F	A	-1.1867
479	I	A	0.0000
480	L	A	-0.3300
481	R	A	-1.6281
482	L	A	-0.8091
483	P	A	-0.9170
484	K	A	-1.7509
485	G	A	0.0000
486	Y	A	-0.6053
487	Q	A	-1.0713
488	T	A	0.0000
489	V	A	0.8513
490	L	A	0.0000
491	G	A	-1.1403
492	E	A	-2.6787
493	R	A	-2.7813
494	G	A	0.0000
495	A	A	-0.9053
496	G	A	-1.0379
497	L	A	-0.5218
498	S	A	-0.9205
499	T	A	-0.8339
500	G	A	0.0000
501	E	A	-0.6163
502	K	A	-0.6843
503	Q	A	0.0000
504	L	A	0.0000
505	L	A	0.0000
506	A	A	0.0000
507	L	A	0.0000
508	V	A	0.0000
509	R	A	0.0000
510	A	A	0.0000
511	L	A	-0.1169
512	L	A	0.0000
513	A	A	0.0000
514	S	A	-0.7655
515	P	A	-1.1441
516	D	A	-2.2803
517	I	A	0.0000
518	L	A	0.0000
519	L	A	0.0000
520	I	A	0.0000
521	L	A	0.0000
522	D	A	-0.8907
523	E	A	0.0000
524	A	A	0.0000
525	T	A	-0.4090
526	A	A	-0.5258
527	S	A	-0.5845
528	V	A	-1.4953
529	D	A	-2.6333
530	S	A	-2.5803
531	E	A	-3.2596
532	T	A	-2.5592
533	E	A	-2.6416
534	K	A	-3.3844
535	R	A	-2.5956
536	L	A	0.0000
537	Q	A	-1.7317
538	E	A	-1.8763
539	A	A	0.0000
540	L	A	0.0000
541	Y	A	-0.8669
542	K	A	-1.3327
543	A	A	0.0000
544	M	A	0.0000
545	E	A	-2.4481
546	G	A	-2.0464
547	R	A	-1.9863
548	T	A	0.0000
549	S	A	0.0000
550	L	A	0.0000
551	I	A	0.0000
552	I	A	0.0000
553	A	A	0.0000
554	H	A	-0.4086
555	R	A	-0.3860
556	L	A	-0.1564
557	S	A	-0.8585
558	T	A	0.0000
559	I	A	0.0000
560	R	A	-2.4169
561	H	A	-1.8103
562	V	A	0.0000
563	D	A	-2.1828
564	R	A	-1.7390
565	I	A	0.0000
566	L	A	0.0000
567	V	A	0.0000
568	F	A	0.0000
569	R	A	-1.8715
570	K	A	-2.4296
571	G	A	0.0000
572	R	A	-1.8287
573	L	A	-0.8684
574	V	A	-0.3489
575	E	A	-0.9836
576	E	A	-1.7065
577	G	A	-1.8519
578	S	A	-2.1462
579	H	A	0.0000
580	E	A	-3.0961
581	E	A	-3.3322
582	L	A	0.0000
583	L	A	-1.7273
584	A	A	-1.9411
585	K	A	-2.6356
586	G	A	-1.5037
587	G	A	-1.0475
588	Y	A	-0.6388
589	Y	A	0.0000
590	A	A	0.0000
591	A	A	0.0000
592	L	A	0.0566
593	Y	A	0.0989
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100	T	C	-0.5275
101	A	C	0.0000
102	V	C	0.0000
103	L	C	0.0000
104	L	C	-0.2087
105	P	C	-0.9564
106	G	C	-1.6354
107	R	C	-1.8778
108	C	C	-0.7835
109	V	C	-0.6564
110	P	C	-0.8454
111	G	C	-0.7829
112	K	C	-1.5508
113	Y	C	-0.7507
114	W	C	-0.3852
115	G	C	-0.2731
116	Q	C	-0.9022
117	G	C	0.0000
118	T	C	-0.3508
119	P	C	-0.2140
120	V	C	0.0000
121	T	C	-0.0842
122	V	C	0.0000
123	S	C	-0.7587