Project name: query_structure

Chain sequence(s)	A: LDRFSFSVFLKEIRLLTALALPMLLAQVAQVGIGFVDTVMAGGAGKEDLAAVALGSSAFATVYITFMGIMAALNPMIAQLYGAGKTGEAGETGRQGIWFGLILGIFGMILMWAAITPFRNWLTLSDYVEGTMAQYMLFTSLAMPAAMVHRALHAYASSLNRPRLIMLVSFAAFVLNVPLNYIFVYGKFGMPALGGAGCGVATMAVFWFSALALWIYIAKEKFFRPFGLTAKFGKPDWAVFKQIWKIGAPIGLSYFLEASAFSFIVFLIAPFGEDYVAAQQVGISLSGILYMIPQSVGSAGTVRIGFSLGRREFSRARYISGVSLVSGWVLAVITVLSLVLFRSPLASMYNDDPAVLSIASTVLLFAGLFQPADFTQCIASYALRGYKVTKVPMFIHAAAFWGCGLLPGYLLAYRFDMGIYGFWTALIASLTIAAVALVWCLEKYSMELVKSHKAVSSGL; B: VSSVPTKLEVVAATPTSLLISWDARGEYVVYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYARSYYWGWYSPISINYRT
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]                                                (00:00:00)
[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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:48)

• Minimal score value: -2.961
• Maximal score value: 3.5291
• Average score: 0.394
• Total score value: 216.7172

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
5	L	A	0.6037
6	D	A	-1.3032
7	R	A	-0.7569
8	F	A	1.7045
9	S	A	1.3265
10	F	A	2.1077
11	S	A	1.8058
12	V	A	2.5120
13	F	A	2.9481
14	L	A	2.5697
15	K	A	0.9899
16	E	A	0.6468
17	I	A	1.1664
18	R	A	-0.5586
19	L	A	0.4325
20	L	A	1.4779
21	T	A	0.9408
22	A	A	1.2532
23	L	A	2.3136
24	A	A	1.6826
25	L	A	2.4056
26	P	A	0.9422
27	M	A	0.9959
28	L	A	1.5182
29	L	A	1.3459
30	A	A	0.6292
31	Q	A	0.0000
32	V	A	1.2933
33	A	A	0.0000
34	Q	A	1.1132
35	V	A	1.7126
36	G	A	0.0000
37	I	A	1.5402
38	G	A	0.7820
39	F	A	1.0754
40	V	A	0.0000
41	D	A	-1.3932
42	T	A	-1.2440
43	V	A	-0.3156
44	M	A	0.0000
45	A	A	-1.4928
46	G	A	-1.6281
47	G	A	0.0000
48	A	A	0.0000
49	G	A	-2.2036
50	K	A	-2.4591
51	E	A	-2.1360
52	D	A	-1.9944
53	L	A	0.1923
54	A	A	-0.3826
55	A	A	0.1686
56	V	A	0.0000
57	A	A	0.3049
58	L	A	1.3107
59	G	A	0.0000
60	S	A	0.1303
61	S	A	0.0711
62	A	A	0.3557
63	F	A	0.0000
64	A	A	0.4155
65	T	A	0.8025
66	V	A	1.1635
67	Y	A	0.8800
68	I	A	1.4881
69	T	A	1.2871
70	F	A	1.1083
71	M	A	0.8291
72	G	A	0.0000
73	I	A	0.0000
74	M	A	0.0000
75	A	A	0.2461
76	A	A	0.0000
77	L	A	0.0000
78	N	A	0.0000
79	P	A	0.1798
80	M	A	0.0490
81	I	A	0.0000
82	A	A	0.0000
83	Q	A	-0.3782
84	L	A	-0.4455
85	Y	A	-0.3574
86	G	A	-1.0586
87	A	A	-0.9917
88	G	A	-1.4231
89	K	A	-2.3176
90	T	A	-1.5850
91	G	A	-1.7993
92	E	A	-2.5908
93	A	A	0.0000
94	G	A	0.0000
95	E	A	-1.4254
96	T	A	0.0000
97	G	A	0.0000
98	R	A	-0.5192
99	Q	A	0.0000
100	G	A	0.0000
101	I	A	0.0000
102	W	A	0.6699
103	F	A	0.0000
104	G	A	0.0000
105	L	A	0.9937
106	I	A	1.2678
107	L	A	1.3383
108	G	A	0.0000
109	I	A	2.0464
110	F	A	2.6581
111	G	A	0.0000
112	M	A	2.1470
113	I	A	2.5408
114	L	A	2.1907
115	M	A	0.0000
116	W	A	1.7995
117	A	A	1.0711
118	A	A	0.9205
119	I	A	1.4482
120	T	A	0.8231
121	P	A	0.3904
122	F	A	0.9691
123	R	A	-1.2062
124	N	A	-0.7654
125	W	A	0.7528
126	L	A	1.2019
127	T	A	1.1956
128	L	A	1.4691
129	S	A	0.6274
130	D	A	-0.5378
131	Y	A	0.4081
132	V	A	1.2574
133	E	A	0.0623
134	G	A	-0.1923
135	T	A	0.1722
136	M	A	0.9100
137	A	A	1.0428
138	Q	A	0.0000
139	Y	A	1.7314
140	M	A	1.1626
141	L	A	0.0000
142	F	A	0.0000
143	T	A	1.0376
144	S	A	0.5987
145	L	A	0.0000
146	A	A	0.0000
147	M	A	1.5148
148	P	A	0.0000
149	A	A	0.0000
150	A	A	0.0000
151	M	A	1.0812
152	V	A	0.0000
153	H	A	0.0000
154	R	A	0.3350
155	A	A	0.6880
156	L	A	0.0000
157	H	A	0.0000
158	A	A	0.3785
159	Y	A	0.2653
160	A	A	0.0000
161	S	A	-0.0751
162	S	A	-0.4763
163	L	A	0.0000
164	N	A	-1.1727
165	R	A	-2.1618
166	P	A	-0.9847
167	R	A	-0.4287
168	L	A	0.2313
169	I	A	1.0856
170	M	A	1.5588
171	L	A	1.7079
172	V	A	1.7009
173	S	A	2.0700
174	F	A	2.9317
175	A	A	1.7922
176	A	A	0.0000
177	F	A	1.9091
178	V	A	2.4432
179	L	A	1.6511
180	N	A	0.0000
181	V	A	0.8748
182	P	A	0.6516
183	L	A	0.8676
184	N	A	0.0000
185	Y	A	0.5127
186	I	A	1.0118
187	F	A	1.3346
188	V	A	0.0000
189	Y	A	1.3100
190	G	A	0.6500
191	K	A	-0.2619
192	F	A	1.4662
193	G	A	1.0790
194	M	A	1.5461
195	P	A	1.2014
196	A	A	0.9106
197	L	A	1.1916
198	G	A	0.5463
199	G	A	0.1452
200	A	A	0.0000
201	G	A	0.0000
202	C	A	0.0000
203	G	A	0.0000
204	V	A	0.6163
205	A	A	0.0000
206	T	A	0.2178
207	M	A	0.8813
208	A	A	1.0286
209	V	A	0.0000
210	F	A	1.3668
211	W	A	2.0568
212	F	A	2.1340
213	S	A	1.7989
214	A	A	0.0000
215	L	A	2.2162
216	A	A	2.0617
217	L	A	1.5014
218	W	A	1.8328
219	I	A	2.4674
220	Y	A	1.2346
221	I	A	0.3271
222	A	A	-0.5793
223	K	A	-2.2695
224	E	A	-2.9610
225	K	A	-2.2588
226	F	A	-0.4332
227	F	A	-0.5780
228	R	A	-0.9471
229	P	A	-0.6574
230	F	A	0.0456
231	G	A	0.1807
232	L	A	1.3453
233	T	A	0.5822
234	A	A	0.7645
235	K	A	0.3165
236	F	A	0.9389
237	G	A	-0.4743
238	K	A	-1.7493
239	P	A	-1.1036
240	D	A	-1.3052
241	W	A	-0.6734
242	A	A	-1.1912
243	V	A	-0.8634
244	F	A	0.0000
245	K	A	-2.3205
246	Q	A	-1.9702
247	I	A	0.0000
248	W	A	-0.9719
249	K	A	-1.5353
250	I	A	-0.3503
251	G	A	0.0000
252	A	A	0.3595
253	P	A	0.0000
254	I	A	0.0000
255	G	A	0.0000
256	L	A	2.3443
257	S	A	0.0000
258	Y	A	1.3595
259	F	A	2.0257
260	L	A	0.7754
261	E	A	-0.7661
262	A	A	0.6082
263	S	A	0.4637
264	A	A	0.4174
265	F	A	1.0262
266	S	A	0.8663
267	F	A	1.3822
268	I	A	1.2280
269	V	A	1.5214
270	F	A	2.1986
271	L	A	0.0000
272	I	A	0.3206
273	A	A	0.5329
274	P	A	0.8227
275	F	A	1.0635
276	G	A	-0.1219
277	E	A	-1.9189
278	D	A	-2.0184
279	Y	A	-0.6780
280	V	A	0.0000
281	A	A	-0.5471
282	A	A	0.0000
283	Q	A	0.0000
284	Q	A	0.1400
285	V	A	-0.1234
286	G	A	0.4367
287	I	A	0.8899
288	S	A	0.8273
289	L	A	2.0885
290	S	A	1.4874
291	G	A	1.2674
292	I	A	2.6393
293	L	A	2.6279
294	Y	A	1.4840
295	M	A	1.2744
296	I	A	1.3144
297	P	A	0.9650
298	Q	A	0.1063
299	S	A	0.2226
300	V	A	0.8190
301	G	A	0.0000
302	S	A	0.0587
303	A	A	0.0000
304	G	A	0.2374
305	T	A	0.0000
306	V	A	0.0000
307	R	A	-0.4105
308	I	A	0.0000
309	G	A	0.0000
310	F	A	-0.4803
311	S	A	-1.3508
312	L	A	-1.1988
313	G	A	-1.1155
314	R	A	-2.1699
315	R	A	-2.1585
316	E	A	-2.5948
317	F	A	0.0000
318	S	A	-0.9555
319	R	A	-2.2308
320	A	A	0.0000
321	R	A	0.0000
322	Y	A	-0.0616
323	I	A	0.1665
324	S	A	0.0000
325	G	A	0.0000
326	V	A	1.3285
327	S	A	1.1128
328	L	A	1.1023
329	V	A	1.8505
330	S	A	1.5994
331	G	A	1.8035
332	W	A	2.4790
333	V	A	3.1262
334	L	A	3.5291
335	A	A	0.0000
336	V	A	2.7117
337	I	A	3.3720
338	T	A	2.8027
339	V	A	0.0000
340	L	A	3.2436
341	S	A	2.2821
342	L	A	2.6697
343	V	A	2.9244
344	L	A	3.1874
345	F	A	2.3360
346	R	A	-0.1130
347	S	A	0.4608
348	P	A	0.8437
349	L	A	1.9656
350	A	A	0.8786
351	S	A	0.9695
352	M	A	1.7339
353	Y	A	1.0511
354	N	A	-1.3529
355	D	A	-2.0180
356	D	A	-1.4532
357	P	A	-0.3809
358	A	A	0.2205
359	V	A	1.4134
360	L	A	2.2832
361	S	A	0.9328
362	I	A	0.7645
363	A	A	0.1467
364	S	A	0.3589
365	T	A	0.0000
366	V	A	0.5774
367	L	A	1.4589
368	L	A	1.3855
369	F	A	0.0000
370	A	A	1.5122
371	G	A	1.2385
372	L	A	0.8582
373	F	A	0.5699
374	Q	A	0.0000
375	P	A	0.7947
376	A	A	0.3282
377	D	A	0.0538
378	F	A	0.0000
379	T	A	0.0000
380	Q	A	0.2629
381	C	A	0.0236
382	I	A	0.0000
383	A	A	0.0000
384	S	A	0.0000
385	Y	A	0.0000
386	A	A	0.0000
387	L	A	0.0000
388	R	A	0.0000
389	G	A	0.0000
390	Y	A	0.0000
391	K	A	0.3491
392	V	A	0.9074
393	T	A	0.0000
394	K	A	0.0000
395	V	A	0.9725
396	P	A	1.2751
397	M	A	0.0000
398	F	A	2.5257
399	I	A	2.6442
400	H	A	0.0000
401	A	A	0.0000
402	A	A	1.4788
403	A	A	1.0835
404	F	A	0.0000
405	W	A	1.0959
406	G	A	0.5944
407	C	A	1.0212
408	G	A	0.0000
409	L	A	1.9228
410	L	A	2.4079
411	P	A	0.0000
412	G	A	2.0357
413	Y	A	2.4780
414	L	A	2.0357
415	L	A	1.3568
416	A	A	1.3820
417	Y	A	1.7415
418	R	A	1.0535
419	F	A	1.3323
420	D	A	-0.4078
421	M	A	0.3144
422	G	A	0.0000
423	I	A	0.0000
424	Y	A	0.6827
425	G	A	0.0000
426	F	A	0.0000
427	W	A	0.0000
428	T	A	0.6466
429	A	A	0.8394
430	L	A	0.0000
431	I	A	0.7680
432	A	A	0.6517
433	S	A	0.0000
434	L	A	0.9259
435	T	A	0.8759
436	I	A	1.4352
437	A	A	0.0000
438	A	A	0.9827
439	V	A	1.8058
440	A	A	1.0602
441	L	A	0.0000
442	V	A	0.7225
443	W	A	1.3399
444	C	A	0.0882
445	L	A	0.0000
446	E	A	0.0000
447	K	A	-0.7711
448	Y	A	0.0000
449	S	A	0.0000
450	M	A	0.1859
451	E	A	-0.4991
452	L	A	0.0000
453	V	A	1.1273
454	K	A	-0.9306
455	S	A	0.0000
456	H	A	-0.0253
457	K	A	0.2065
458	A	A	0.0000
459	V	A	1.6342
460	S	A	0.1066
461	S	A	-0.2527
462	G	A	-0.0278
463	L	A	1.1187
1	V	B	1.7303
2	S	B	0.9961
3	S	B	0.7553
4	V	B	0.3279
5	P	B	0.0000
6	T	B	-0.7580
7	K	B	-1.5008
8	L	B	0.0000
9	E	B	0.0000
10	V	B	0.0000
11	V	B	0.1289
12	A	B	-0.2648
13	A	B	-0.1910
14	T	B	-0.1969
15	P	B	-0.4819
16	T	B	-0.1560
17	S	B	-0.0150
18	L	B	0.0000
19	L	B	0.3172
20	I	B	0.0000
21	S	B	0.0000
22	W	B	0.0000
23	D	B	-1.5832
24	A	B	-1.4051
25	R	B	-2.3285
26	G	B	-1.1053
27	E	B	-0.2289
28	Y	B	2.1768
29	V	B	3.3136
30	V	B	2.1161
31	Y	B	1.3942
32	Y	B	0.0000
33	R	B	-0.5616
34	I	B	0.0000
35	T	B	-0.3742
36	Y	B	-0.2503
37	G	B	-0.6767
38	E	B	-0.8898
39	T	B	-0.9751
40	G	B	-1.4044
41	G	B	-1.2757
42	N	B	-1.6622
43	S	B	-0.9679
44	P	B	-0.3139
45	V	B	0.3818
46	Q	B	-1.1376
47	E	B	-1.7546
48	F	B	-0.5254
49	T	B	-0.1538
50	V	B	0.3269
51	P	B	0.2485
52	G	B	-0.1185
53	S	B	-0.8950
54	S	B	-0.5707
55	S	B	0.0000
56	T	B	-0.1723
57	A	B	0.1338
58	T	B	0.1168
59	I	B	0.0000
60	S	B	0.3283
61	G	B	0.0000
62	L	B	1.2891
63	S	B	0.5216
64	P	B	-0.1102
65	G	B	-0.3295
66	V	B	0.2162
67	D	B	-1.4474
68	Y	B	-0.9130
69	T	B	-0.6341
70	I	B	0.0000
71	T	B	-0.0067
72	V	B	0.0000
73	Y	B	0.3494
74	A	B	0.9666
75	R	B	1.8129
76	S	B	0.0000
77	Y	B	3.2733
78	Y	B	3.0441
79	W	B	2.6918
80	G	B	1.6848
81	W	B	1.4605
82	Y	B	1.6008
83	S	B	0.5995
84	P	B	0.2650
85	I	B	0.0239
86	S	B	-0.0444
87	I	B	0.2462
88	N	B	-0.7325
89	Y	B	0.0182
90	R	B	-1.3264
91	T	B	-0.7620