Project name: query_structure

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:51)

• Minimal score value: -3.7405
• Maximal score value: 3.7142
• Average score: -0.1056
• Total score value: -61.1564

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
14	Q	A	-2.5648
15	R	A	-3.2134
16	E	A	-2.4973
17	W	A	-0.1523
18	F	A	1.6796
19	A	A	0.0280
20	N	A	-1.1025
21	P	A	-0.8808
22	R	A	-2.0610
23	K	A	-1.7644
24	D	A	0.0000
25	V	A	0.6813
26	L	A	1.2406
27	A	A	0.0000
28	G	A	0.0000
29	I	A	1.6334
30	V	A	1.6077
31	V	A	0.0000
32	A	A	0.0000
33	L	A	0.8852
34	A	A	0.5609
35	L	A	0.0000
36	I	A	0.0000
37	P	A	0.0534
38	E	A	-0.0824
39	A	A	0.0000
40	I	A	0.0000
41	A	A	0.0000
42	F	A	0.0000
43	S	A	0.0000
44	I	A	0.2896
45	I	A	0.3420
46	A	A	0.0000
47	G	A	-0.2889
48	V	A	0.0000
49	D	A	-0.6692
50	P	A	0.0000
51	Q	A	-0.5281
52	V	A	0.0000
53	G	A	0.0000
54	L	A	0.0000
55	Y	A	0.0000
56	A	A	0.0000
57	S	A	0.0000
58	F	A	0.7019
59	I	A	0.0000
60	I	A	0.0000
61	A	A	0.0000
62	L	A	1.2890
63	I	A	1.6245
64	T	A	0.0000
65	A	A	0.0000
66	F	A	2.5897
67	L	A	2.0309
68	G	A	0.0000
69	G	A	0.1116
70	R	A	-0.6294
71	P	A	0.0000
72	G	A	0.0000
73	M	A	0.0000
74	I	A	0.0000
75	S	A	0.0000
76	A	A	0.0000
77	A	A	0.0000
78	T	A	0.0212
79	G	A	0.0000
80	A	A	0.0000
81	M	A	0.0000
82	A	A	0.0000
83	L	A	0.0000
84	L	A	0.0000
85	M	A	0.0000
86	T	A	-0.9752
87	G	A	-1.7760
88	L	A	0.0000
89	V	A	0.0000
90	K	A	-2.8047
91	D	A	-2.9106
92	H	A	-1.6694
93	G	A	-1.0695
94	I	A	-0.2762
95	Q	A	-0.0503
96	Y	A	0.2526
97	L	A	0.0000
98	F	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	T	A	0.0000
102	V	A	1.1896
103	L	A	1.0670
104	T	A	0.0000
105	G	A	0.0000
106	V	A	1.4170
107	L	A	1.6211
108	Q	A	0.0000
109	V	A	1.3590
110	V	A	1.8490
111	F	A	1.2153
112	G	A	0.0000
113	W	A	1.5425
114	A	A	0.7350
115	K	A	-0.2924
116	L	A	0.1510
117	A	A	-0.8425
118	R	A	-1.5162
119	Y	A	0.2823
120	L	A	0.0000
121	K	A	-0.9651
122	F	A	1.0973
123	V	A	0.7651
124	P	A	-0.2297
125	R	A	-1.8102
126	S	A	0.0000
127	V	A	0.0000
128	M	A	-0.2096
129	V	A	0.0000
130	G	A	0.0000
131	F	A	0.0000
132	V	A	0.9550
133	N	A	0.0000
134	A	A	0.0000
135	L	A	0.7434
136	A	A	0.0000
137	I	A	1.4152
138	L	A	0.0000
139	I	A	0.0000
140	F	A	2.3702
141	M	A	1.1525
142	A	A	0.7765
143	Q	A	0.0000
144	L	A	1.4268
145	P	A	0.6559
146	Q	A	0.2890
147	F	A	1.2362
148	V	A	1.6663
149	G	A	0.2125
150	A	A	0.4008
151	N	A	-0.4979
152	W	A	0.6349
153	Q	A	-0.3289
154	M	A	0.0000
155	Y	A	0.7596
156	A	A	0.3767
157	M	A	0.0000
158	V	A	0.0000
159	A	A	0.3550
160	A	A	0.4824
161	G	A	0.0000
162	L	A	1.1105
163	A	A	1.2333
164	I	A	1.5287
165	I	A	0.0000
166	Y	A	2.3333
167	L	A	3.1900
168	L	A	2.5427
169	P	A	2.2060
170	L	A	3.0812
171	V	A	3.0602
172	F	A	1.9148
173	K	A	-0.3828
174	A	A	-0.3736
175	M	A	0.1804
176	P	A	0.3018
177	S	A	1.1651
178	A	A	1.0550
179	L	A	1.3256
180	V	A	1.4044
181	A	A	0.0000
182	I	A	1.8391
183	V	A	2.8060
184	V	A	2.7559
185	L	A	0.0000
186	T	A	0.0000
187	V	A	3.7142
188	V	A	3.0197
189	A	A	0.0000
190	V	A	2.7650
191	V	A	2.9986
192	T	A	1.2519
193	G	A	0.5130
194	A	A	-0.6975
195	D	A	-2.0782
196	V	A	-1.6366
197	K	A	-2.5284
198	T	A	-1.5985
199	V	A	0.0000
200	G	A	-1.2062
201	D	A	-2.1503
202	M	A	-0.8027
203	G	A	-0.7026
204	T	A	-0.5995
205	L	A	0.0000
206	P	A	0.0000
207	T	A	0.2647
208	A	A	0.8593
209	L	A	1.7871
210	P	A	0.7651
211	H	A	0.6370
212	F	A	2.2293
213	Q	A	1.2529
214	F	A	2.1119
215	P	A	0.0000
216	Q	A	-0.0252
217	V	A	0.7562
218	P	A	0.9513
219	L	A	1.6489
220	T	A	1.2956
221	F	A	1.7448
222	E	A	-0.1339
223	T	A	0.0000
224	L	A	1.6112
225	A	A	0.8988
226	I	A	1.1758
227	I	A	0.0000
228	F	A	1.6151
229	P	A	0.9000
230	V	A	0.0000
231	A	A	0.0000
232	L	A	1.0308
233	T	A	0.7655
234	L	A	0.0000
235	S	A	0.0000
236	L	A	0.6335
237	V	A	0.0000
238	G	A	0.0000
239	L	A	0.0000
240	L	A	0.0000
241	E	A	0.1252
242	S	A	0.0000
243	L	A	-0.2403
244	L	A	0.7856
245	T	A	0.0000
246	A	A	0.0000
247	Q	A	-1.6114
248	L	A	-0.9151
249	I	A	0.0000
250	D	A	-2.5675
251	E	A	-3.4350
252	R	A	-3.2498
253	T	A	-2.7710
254	D	A	-2.8774
255	T	A	-1.8083
256	T	A	-0.9471
257	S	A	-1.0081
258	D	A	-1.0553
259	K	A	-1.0053
260	N	A	-0.2814
261	V	A	0.5808
262	E	A	0.0000
263	S	A	0.0000
264	R	A	0.3642
265	G	A	0.0000
266	Q	A	0.0000
267	G	A	0.0000
268	V	A	1.0193
269	A	A	0.0000
270	N	A	0.0000
271	I	A	1.2625
272	V	A	1.4754
273	T	A	0.0000
274	G	A	0.0000
275	F	A	1.6761
276	F	A	1.6597
277	G	A	0.6771
278	G	A	0.0000
279	M	A	0.0000
280	A	A	0.0000
281	G	A	0.0000
282	C	A	0.0000
283	A	A	0.0000
284	M	A	0.0000
285	I	A	0.8663
286	G	A	0.2953
287	Q	A	0.0000
288	S	A	0.0000
289	M	A	0.4648
290	I	A	1.0980
291	N	A	0.0000
292	V	A	0.0000
293	T	A	-0.1913
294	S	A	0.0529
295	G	A	-0.7915
296	G	A	0.0000
297	R	A	-2.1541
298	G	A	0.0000
299	R	A	0.3314
300	L	A	0.7230
301	S	A	0.0000
302	T	A	0.0000
303	F	A	1.3622
304	V	A	1.2852
305	A	A	0.0000
306	G	A	0.0000
307	A	A	1.1811
308	F	A	1.7573
309	L	A	0.0000
310	M	A	0.0000
311	V	A	2.4777
312	L	A	1.6229
313	I	A	0.0000
314	L	A	1.4386
315	A	A	1.1183
316	L	A	1.1404
317	Q	A	0.6151
318	P	A	0.3252
319	L	A	1.2562
320	L	A	0.0000
321	V	A	0.0002
322	Q	A	-0.1578
323	I	A	0.0000
324	P	A	0.0000
325	M	A	0.0000
326	A	A	0.0000
327	A	A	0.0000
328	L	A	0.0000
329	V	A	0.0000
330	A	A	0.0000
331	V	A	0.5484
332	M	A	0.0000
333	M	A	1.4281
334	V	A	1.5124
335	V	A	1.3396
336	A	A	0.0000
337	I	A	1.8934
338	S	A	0.6754
339	T	A	0.7994
340	F	A	1.0695
341	D	A	-0.6013
342	W	A	0.2290
343	G	A	-0.2350
344	S	A	-0.4836
345	L	A	0.0762
346	R	A	-1.2908
351	F	A	1.0734
352	P	A	-0.3189
353	K	A	-1.4237
354	G	A	-0.5771
355	E	A	-0.9471
356	T	A	0.0963
357	V	A	0.4093
358	V	A	0.0000
359	M	A	0.8112
360	L	A	1.7878
361	A	A	1.1927
362	T	A	0.0000
363	V	A	1.5390
364	A	A	1.2947
365	V	A	1.2858
366	T	A	0.0000
367	V	A	1.1301
368	F	A	1.8445
369	T	A	0.4452
370	H	A	-0.6012
371	D	A	-0.7524
372	L	A	0.0000
373	S	A	0.2430
374	L	A	0.9984
375	G	A	0.0000
376	V	A	1.7191
377	L	A	2.6694
378	I	A	2.1868
379	G	A	0.0000
380	V	A	2.9705
381	V	A	2.7945
382	L	A	2.0730
383	S	A	1.6866
384	A	A	1.7553
385	L	A	1.8512
386	F	A	1.3527
387	F	A	2.1125
388	A	A	0.9644
389	R	A	0.0480
390	K	A	-0.4299
391	V	A	1.2020
392	S	A	0.0787
393	Q	A	-1.3123
394	L	A	-0.6122
395	S	A	-1.6814
396	Q	A	-2.2119
397	V	A	-1.6320
398	T	A	-1.0473
399	P	A	-0.9359
400	V	A	-1.0165
401	D	A	-2.5860
402	E	A	-2.5374
403	V	A	-0.5617
404	D	A	-2.1535
405	G	A	-2.1017
406	T	A	0.0000
407	R	A	-1.9176
408	T	A	0.0000
409	Y	A	0.0000
410	R	A	-2.3209
411	V	A	0.0000
412	R	A	-3.3144
413	G	A	-2.2317
414	Q	A	-1.5656
415	L	A	0.0000
416	F	A	0.7207
417	F	A	0.8090
418	V	A	-0.0841
419	S	A	-0.7374
420	T	A	-1.3218
421	H	A	-2.2743
422	D	A	-2.6906
423	F	A	0.0000
424	L	A	-1.7871
425	H	A	-2.2315
426	Q	A	-1.9834
427	F	A	0.0000
428	D	A	-1.4323
429	F	A	-0.9598
430	T	A	-0.7313
431	H	A	-1.5507
432	P	A	-1.8158
433	A	A	-1.8168
434	R	A	-2.4401
435	R	A	-1.8525
436	V	A	0.0000
437	V	A	-1.0452
438	I	A	0.0000
439	D	A	-2.0660
440	L	A	0.0000
441	S	A	-2.2666
442	D	A	-2.9445
443	A	A	0.0000
444	H	A	-1.4104
445	F	A	0.0000
446	W	A	0.6101
447	D	A	0.1098
448	G	A	0.1286
449	S	A	0.0284
450	A	A	0.0000
451	V	A	0.0000
452	G	A	-0.3415
453	A	A	0.0000
454	L	A	0.0000
455	D	A	0.0000
456	K	A	-1.3492
457	V	A	0.0000
458	M	A	0.0000
459	L	A	-1.3880
460	K	A	-1.9219
461	F	A	0.0000
462	M	A	0.0000
463	R	A	-3.3250
464	Q	A	-2.5140
465	G	A	-2.4967
466	T	A	0.0000
467	S	A	-1.5683
468	V	A	0.0000
469	E	A	-1.3763
470	L	A	0.0000
471	R	A	-2.8494
472	G	A	-1.9348
473	L	A	0.0000
474	N	A	-1.7371
475	A	A	-1.1448
476	A	A	0.0000
477	S	A	-0.5077
478	A	A	-0.7003
479	T	A	-0.0285
480	L	A	0.0000
481	V	A	1.2421
482	E	A	-0.5588
483	R	A	-1.1452
484	L	A	0.8407
9	E	B	-0.8572
10	S	B	-0.8893
11	G	B	-1.1641
12	G	B	-0.9293
13	G	B	0.0818
14	L	B	0.9092
15	V	B	0.0000
16	Q	B	-1.3371
17	A	B	-1.2064
18	G	B	-1.3144
19	G	B	-0.9488
20	S	B	-0.9286
21	L	B	-0.8670
22	R	B	-2.0713
23	L	B	0.0000
24	S	B	-1.0738
25	C	B	0.0000
26	A	B	-0.8174
27	A	B	-0.5074
28	S	B	-0.5885
29	G	B	-0.4598
34	S	B	-1.2927
35	D	B	-1.4591
36	V	B	0.0000
37	M	B	0.0000
38	G	B	0.0000
39	W	B	0.0000
40	F	B	0.0000
41	R	B	0.0000
42	Q	B	-1.9469
43	A	B	-2.1612
44	P	B	-1.6574
45	G	B	-2.0322
46	K	B	-3.3145
47	E	B	-3.7405
48	R	B	-2.7449
49	E	B	-1.9227
50	F	B	0.0000
51	V	B	0.0000
52	A	B	0.0000
53	A	B	0.0000
54	V	B	0.0000
55	T	B	0.0000
56	R	B	-3.1912
57	S	B	-2.2884
58	G	B	-1.8505
59	G	B	0.0000
60	K	B	-1.3631
61	S	B	0.0000
62	Y	B	-0.7605
63	N	B	0.0000
64	A	B	-1.6558
65	D	B	-1.7232
66	S	B	0.0000
67	V	B	0.0000
68	K	B	-2.2983
69	G	B	-1.5981
70	R	B	-1.2968
71	F	B	0.0000
72	T	B	-0.6475
73	I	B	0.0000
74	S	B	-1.2352
75	R	B	-2.2693
76	D	B	-2.8610
77	N	B	-2.7518
78	A	B	-2.1117
79	K	B	-2.7854
80	N	B	-1.9155
81	T	B	-1.6018
82	V	B	0.0000
83	S	B	-1.1335
84	L	B	0.0000
85	Q	B	-1.1861
86	M	B	0.0000
87	N	B	-1.3296
88	S	B	-1.3096
89	L	B	0.0000
90	K	B	-2.1802
91	P	B	-1.8310
92	E	B	-2.2878
93	D	B	0.0000
94	T	B	-1.0365
95	A	B	0.0000
96	V	B	-0.8317
97	Y	B	0.0000
98	Y	B	-0.4744
99	C	B	0.0000
100	A	B	0.0000
101	A	B	0.2102
102	G	B	0.0000
103	D	B	-0.4090
104	T	B	-0.7253
105	A	B	-0.0232
106	I	B	0.5280
107	T	B	0.0000
108	S	B	0.0000
109	W	B	0.8064
110	Y	B	1.5204
111	G	B	1.2673
112	Y	B	1.0856
113	D	B	-0.5159
114	Y	B	0.9308
115	W	B	0.7561
116	G	B	-0.2171
117	Q	B	-1.1725
118	G	B	-0.9870
119	T	B	-1.1489
120	Q	B	-1.1693
121	V	B	0.0000
122	T	B	-0.4865
123	V	B	0.0000
124	S	B	-0.7555