Project name: query_structure

Chain sequence(s)	A: FKQPKAFYLIFSIELWERFGYYGLQGIMAVYLVKQLGMSEADSITLFSSFSALVYGLVAIGGWLGDKVLGTKRVIMLGAIVLAIGYALVAWSGHDAGIVYMGMAAIAVGNGLFKANPSSLLSTCYEKNDPRLDGAFTMYYMSVNIGSFFSMIATPWLAAKYGWSVAFALSVVGLLITIVNFAFCQRWVKQYGSKPDFEPINYRNLLLTIIGVVALIAIATWLLHNQEVARMALGVVAFGIVVIFGKEAFAMKGAARRKMIVAFILMLEAIIFFVLYSQMPTSLNFFAIRNVEHSILGLAVEPEQYQALNPFWIIIGSPILAAIYNKMGDTLPMPTKFAIGMVMCSGAFLILPLGAKFASDAGIVSVSWLVASYGLQSIGELMISGLGLAMVAQLVPQRLMGFIMGSWFLTTAGANLIGGYVAGMMAVPDNVTDPLMSLEVYGRVFLQIGVATAVIAVLMLLTAPKLHRMTQD; H: QVQLQESGGGLVQAGGSLRLSCAGSGRTFSSYNMGWFRQAPGKEREFVGGISWTGRSADYPDSVKGRFTISRDNAKNAVYLQMNSLKPEDTAVYYCAAKQYGSRADYPWDDYDYWGQGTQVTVSS
Selected Chain(s)	A,H
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                                          (00:08:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:00)

• Minimal score value: -3.5956
• Maximal score value: 3.6282
• Average score: -0.0926
• Total score value: -55.26

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
17	F	A	1.1103
18	K	A	-0.9632
19	Q	A	0.0000
20	P	A	-0.8639
21	K	A	-1.8028
22	A	A	0.0000
23	F	A	0.0000
24	Y	A	0.1313
25	L	A	0.0000
26	I	A	0.0000
27	F	A	0.9532
28	S	A	0.4905
29	I	A	0.0000
30	E	A	0.0000
31	L	A	0.8140
32	W	A	1.0480
33	E	A	0.0000
34	R	A	0.1848
35	F	A	1.0439
36	G	A	0.0000
37	Y	A	0.0000
38	Y	A	0.4818
39	G	A	0.0000
40	L	A	0.0000
41	Q	A	-0.0571
42	G	A	0.0000
43	I	A	0.0000
44	M	A	0.0000
45	A	A	0.0000
46	V	A	0.0000
47	Y	A	0.0000
48	L	A	0.0000
49	V	A	0.0000
50	K	A	0.0000
51	Q	A	-0.5637
52	L	A	-0.4509
53	G	A	-0.6282
54	M	A	-0.6524
55	S	A	-1.1934
56	E	A	0.0000
57	A	A	-0.6668
58	D	A	-1.8476
59	S	A	0.0000
60	I	A	0.0000
61	T	A	-0.4193
62	L	A	0.0000
63	F	A	0.0000
64	S	A	0.0000
65	S	A	0.0000
66	F	A	0.0000
67	S	A	0.2082
68	A	A	0.0000
69	L	A	0.5838
70	V	A	0.0000
71	Y	A	0.7827
72	G	A	0.7080
73	L	A	0.4817
74	V	A	0.0000
75	A	A	0.4203
76	I	A	0.5246
77	G	A	0.0000
78	G	A	-0.4819
79	W	A	-0.0321
80	L	A	0.0000
81	G	A	0.0000
82	D	A	-2.4229
83	K	A	-2.3695
84	V	A	-0.9181
85	L	A	0.0000
86	G	A	0.0000
87	T	A	0.0000
88	K	A	-0.7194
89	R	A	-0.2386
90	V	A	0.0000
91	I	A	0.0000
92	M	A	0.5044
93	L	A	0.6202
94	G	A	0.0000
95	A	A	0.0000
96	I	A	1.9687
97	V	A	0.0000
98	L	A	0.0000
99	A	A	0.0000
100	I	A	2.3955
101	G	A	0.0000
102	Y	A	0.0000
103	A	A	1.3733
104	L	A	1.3541
105	V	A	0.0000
106	A	A	0.0000
107	W	A	1.2276
108	S	A	-0.0036
109	G	A	-0.7158
110	H	A	-1.3673
111	D	A	-1.9524
112	A	A	-0.9748
113	G	A	-0.5207
114	I	A	0.1377
115	V	A	0.0000
116	Y	A	0.0000
117	M	A	0.5745
118	G	A	0.0000
119	M	A	0.0000
120	A	A	0.0000
121	A	A	0.0000
122	I	A	0.0000
123	A	A	0.0000
124	V	A	0.0000
125	G	A	0.0000
126	N	A	0.0000
127	G	A	0.0000
128	L	A	0.0000
129	F	A	0.0000
130	K	A	-1.1234
131	A	A	-0.6507
132	N	A	0.0000
133	P	A	0.0000
134	S	A	-0.1690
135	S	A	-0.5793
136	L	A	0.0000
137	L	A	0.0000
138	S	A	-0.8661
139	T	A	-0.7356
140	C	A	-0.8292
141	Y	A	0.0000
142	E	A	-3.3258
143	K	A	-3.4418
144	N	A	-3.0243
145	D	A	-2.7942
146	P	A	-2.4793
147	R	A	-2.7464
148	L	A	-2.2845
149	D	A	-2.3563
150	G	A	-1.7646
151	A	A	0.0000
152	F	A	-0.0507
153	T	A	0.1414
154	M	A	0.8477
155	Y	A	0.0000
156	Y	A	1.7341
157	M	A	1.3096
158	S	A	0.0000
159	V	A	1.1468
160	N	A	1.2588
161	I	A	1.5170
162	G	A	0.0000
163	S	A	0.0000
164	F	A	1.8686
165	F	A	2.3656
166	S	A	0.0000
167	M	A	0.0000
168	I	A	1.5933
169	A	A	1.1865
170	T	A	0.0000
171	P	A	0.0000
172	W	A	0.8443
173	L	A	0.8301
174	A	A	0.0000
175	A	A	0.0000
176	K	A	-0.5312
177	Y	A	1.0221
178	G	A	0.0000
179	W	A	0.0000
180	S	A	0.8026
181	V	A	1.3952
182	A	A	0.0000
183	F	A	0.0000
184	A	A	1.0384
185	L	A	1.0765
186	S	A	0.0000
187	V	A	0.0000
188	V	A	2.1144
189	G	A	0.0000
190	L	A	0.0000
191	L	A	2.8891
192	I	A	1.9227
193	T	A	0.0000
194	I	A	2.1233
195	V	A	2.1456
196	N	A	1.1047
197	F	A	0.0000
198	A	A	0.8604
199	F	A	1.6737
200	C	A	-0.2239
201	Q	A	-1.8796
202	R	A	-2.7342
203	W	A	-1.4318
204	V	A	0.0000
205	K	A	-2.7413
206	Q	A	-1.8840
207	Y	A	-0.6764
208	G	A	0.0000
209	S	A	-1.5447
210	K	A	-2.0735
211	P	A	-1.5497
212	D	A	0.0000
213	F	A	0.2352
214	E	A	-1.0855
215	P	A	-0.1470
216	I	A	0.5132
217	N	A	-0.7718
218	Y	A	0.4671
219	R	A	-0.8900
220	N	A	0.1152
221	L	A	1.0678
222	L	A	1.6203
223	L	A	2.3094
224	T	A	0.0000
225	I	A	2.5540
226	I	A	3.5459
227	G	A	2.1265
228	V	A	0.0000
229	V	A	3.1193
230	A	A	2.0475
231	L	A	1.8583
232	I	A	1.9785
233	A	A	1.8204
234	I	A	2.3708
235	A	A	0.0000
236	T	A	1.0841
237	W	A	1.3415
238	L	A	0.6089
239	L	A	0.0000
240	H	A	-1.0997
241	N	A	-1.2201
242	Q	A	-1.1222
243	E	A	-1.7048
244	V	A	-0.3272
245	A	A	-0.1548
246	R	A	-0.1045
247	M	A	1.0810
248	A	A	1.1233
249	L	A	1.4553
250	G	A	1.6851
251	V	A	2.9907
252	V	A	2.9693
253	A	A	2.6510
254	F	A	3.6282
255	G	A	2.7323
256	I	A	2.4261
257	V	A	2.7268
258	V	A	2.3815
259	I	A	1.6857
260	F	A	0.0000
261	G	A	0.7957
262	K	A	-0.3587
263	E	A	-0.1862
264	A	A	0.0000
265	F	A	0.7972
266	A	A	-0.0516
267	M	A	-0.9953
268	K	A	-2.0450
269	G	A	-1.9280
270	A	A	-2.2603
271	A	A	-1.5674
272	R	A	-1.8661
273	R	A	-2.7919
274	K	A	-1.9199
275	M	A	0.0000
276	I	A	0.1975
277	V	A	0.0000
278	A	A	0.0000
279	F	A	1.2287
280	I	A	1.2176
281	L	A	0.0000
282	M	A	0.0000
283	L	A	1.3305
284	E	A	0.0000
285	A	A	0.0000
286	I	A	1.2354
287	I	A	1.2835
288	F	A	0.0000
289	F	A	0.9380
290	V	A	1.1736
291	L	A	0.0000
292	Y	A	0.3899
293	S	A	0.4814
294	Q	A	0.0000
295	M	A	0.0000
296	P	A	-0.0106
297	T	A	0.0000
298	S	A	0.0000
299	L	A	0.0000
300	N	A	0.0000
301	F	A	0.0000
302	F	A	0.0000
303	A	A	0.0000
304	I	A	0.0000
305	R	A	0.0000
306	N	A	0.0000
307	V	A	0.0000
308	E	A	-0.8687
309	H	A	0.0000
310	S	A	0.7368
311	I	A	1.4603
312	L	A	2.0141
313	G	A	1.0485
314	L	A	1.6811
315	A	A	0.7902
316	V	A	0.8127
317	E	A	0.0000
318	P	A	0.0000
319	E	A	0.0000
320	Q	A	0.5092
321	Y	A	0.0000
322	Q	A	0.0000
323	A	A	0.0000
324	L	A	0.0000
325	N	A	0.3405
326	P	A	0.0000
327	F	A	1.4064
328	W	A	1.2510
329	I	A	0.0000
330	I	A	1.5258
331	I	A	1.8749
332	G	A	1.6323
333	S	A	1.3175
334	P	A	1.3303
335	I	A	2.5890
336	L	A	1.7168
337	A	A	0.6631
338	A	A	0.6662
339	I	A	0.7956
340	Y	A	-0.3276
341	N	A	-1.7688
342	K	A	-1.9297
343	M	A	-0.9416
344	G	A	-1.6350
345	D	A	-1.9632
346	T	A	-1.0190
347	L	A	-0.1765
348	P	A	-0.3665
349	M	A	0.1031
350	P	A	0.0000
351	T	A	0.3238
352	K	A	0.3978
353	F	A	0.0000
354	A	A	0.0000
355	I	A	1.3380
356	G	A	0.0000
357	M	A	0.0000
358	V	A	1.7607
359	M	A	0.9909
360	C	A	0.0000
361	S	A	0.0000
362	G	A	0.7605
363	A	A	0.0000
364	F	A	0.0000
365	L	A	1.0092
366	I	A	0.9224
367	L	A	0.0000
368	P	A	-0.0601
369	L	A	0.9341
370	G	A	0.0000
371	A	A	-0.3157
372	K	A	-0.5443
373	F	A	1.0134
374	A	A	0.2515
375	S	A	-0.6907
376	D	A	-1.4399
377	A	A	-1.0729
378	G	A	0.0000
379	I	A	0.0750
380	V	A	0.0000
381	S	A	0.2099
382	V	A	0.2836
383	S	A	0.0657
384	W	A	0.4049
385	L	A	0.0000
386	V	A	0.4825
387	A	A	0.3829
388	S	A	0.0000
389	Y	A	0.0000
390	G	A	0.0000
391	L	A	0.8326
392	Q	A	0.0000
393	S	A	0.0000
394	I	A	1.1299
395	G	A	0.0000
396	E	A	0.0559
397	L	A	0.2721
398	M	A	0.3841
399	I	A	0.2097
400	S	A	-0.0882
401	G	A	-0.1192
402	L	A	0.0000
403	G	A	0.0354
404	L	A	0.2695
405	A	A	-0.0112
406	M	A	-0.1577
407	V	A	0.0000
408	A	A	-0.5171
409	Q	A	-1.2678
410	L	A	0.0000
411	V	A	0.0000
412	P	A	-1.3212
413	Q	A	-2.1751
414	R	A	-2.2808
415	L	A	-0.9241
416	M	A	-0.6964
417	G	A	-0.5388
418	F	A	0.1684
419	I	A	0.0000
420	M	A	0.4207
421	G	A	0.1581
422	S	A	0.0000
423	W	A	0.0000
424	F	A	0.6984
425	L	A	0.9794
426	T	A	0.7202
427	T	A	0.0000
428	A	A	0.0000
429	G	A	0.6112
430	A	A	0.0000
431	N	A	0.0000
432	L	A	1.0138
433	I	A	1.8718
434	G	A	0.0000
435	G	A	0.0000
436	Y	A	1.9757
437	V	A	1.3967
438	A	A	0.0000
439	G	A	0.5724
440	M	A	1.0600
441	M	A	0.0000
442	A	A	-0.1654
443	V	A	0.0000
444	P	A	-1.1681
445	D	A	-1.9776
446	N	A	-1.3567
447	V	A	-0.9982
448	T	A	-1.0672
449	D	A	-1.3177
450	P	A	0.0000
451	L	A	0.0135
452	M	A	0.0059
453	S	A	0.0000
454	L	A	-0.5831
455	E	A	-1.2570
456	V	A	-0.2297
457	Y	A	0.0000
458	G	A	-1.1300
459	R	A	-1.9587
460	V	A	-0.5872
461	F	A	0.0000
462	L	A	0.2054
463	Q	A	-0.7783
464	I	A	0.0000
465	G	A	0.0000
466	V	A	1.3950
467	A	A	0.9440
468	T	A	0.0000
469	A	A	1.9642
470	V	A	3.0538
471	I	A	2.7758
472	A	A	0.0000
473	V	A	3.4492
474	L	A	3.2279
475	M	A	0.0000
476	L	A	2.5765
477	L	A	2.4500
478	T	A	0.8484
479	A	A	0.0000
480	P	A	-1.0090
481	K	A	-2.1073
482	L	A	0.0000
483	H	A	-2.1999
484	R	A	-3.5138
485	M	A	-2.6839
486	T	A	-2.4606
487	Q	A	-3.0067
488	D	A	-2.9232
1	Q	H	-1.4564
2	V	H	-1.0055
3	Q	H	-1.8008
4	L	H	0.0000
5	Q	H	-1.7651
6	E	H	-1.4367
7	S	H	-1.1867
8	G	H	-1.1306
9	G	H	-0.7572
10	G	H	0.0200
11	L	H	1.0807
12	V	H	0.0041
13	Q	H	-1.2561
14	A	H	-1.5666
15	G	H	-1.3082
16	G	H	-0.8974
17	S	H	-1.0117
18	L	H	-0.7224
19	R	H	-1.7301
20	L	H	0.0000
21	S	H	-0.8445
22	C	H	0.0000
23	A	H	-1.1934
24	G	H	-1.1724
25	S	H	-1.3060
26	G	H	-1.2944
27	R	H	-1.4198
28	T	H	-0.8768
29	F	H	0.0000
30	S	H	-0.7200
31	S	H	-0.3702
32	Y	H	0.0000
33	N	H	0.0000
34	M	H	0.0000
35	G	H	0.0000
36	W	H	0.0000
37	F	H	0.0000
38	R	H	0.0000
39	Q	H	-2.0956
40	A	H	-1.9827
41	P	H	-1.5259
42	G	H	-2.0148
43	K	H	-3.3672
44	E	H	-3.5956
45	R	H	-2.8395
46	E	H	-1.7299
47	F	H	-0.7272
48	V	H	0.0000
49	G	H	0.0000
50	G	H	0.0000
51	I	H	0.0000
52	S	H	0.0000
53	W	H	0.0000
54	T	H	0.0000
55	G	H	-0.8179
56	R	H	0.0000
57	S	H	-0.8283
58	A	H	0.0000
59	D	H	-2.3812
60	Y	H	-1.9758
61	P	H	-1.9552
62	D	H	-2.8633
63	S	H	-1.8898
64	V	H	0.0000
65	K	H	-3.0255
66	G	H	-1.8502
67	R	H	-1.6762
68	F	H	0.0000
69	T	H	-0.7703
70	I	H	0.0000
71	S	H	-0.4517
72	R	H	-0.6998
73	D	H	-1.1945
74	N	H	-1.2066
75	A	H	-1.1937
76	K	H	-2.0738
77	N	H	-1.5014
78	A	H	-1.1335
79	V	H	0.0000
80	Y	H	-0.4897
81	L	H	0.0000
82	Q	H	-1.0240
83	M	H	0.0000
84	N	H	-1.2930
85	S	H	-1.2449
86	L	H	0.0000
87	K	H	-2.2901
88	P	H	-1.8584
89	E	H	-2.3269
90	D	H	0.0000
91	T	H	-0.8380
92	A	H	0.0000
93	V	H	-0.5529
94	Y	H	0.0000
95	Y	H	-0.3553
96	C	H	0.0000
97	A	H	0.0000
98	A	H	0.0000
99	K	H	0.0000
100	Q	H	-0.8273
101	Y	H	-0.4181
102	G	H	-0.1838
103	S	H	0.0000
104	R	H	-0.5000
105	A	H	0.0000
106	D	H	-1.0643
107	Y	H	0.0000
108	P	H	-0.9352
109	W	H	-1.1995
110	D	H	-2.0088
111	D	H	-1.5925
112	Y	H	0.0000
113	D	H	-1.2526
114	Y	H	-0.2550
115	W	H	-0.1758
116	G	H	-0.7654
117	Q	H	-1.4548
118	G	H	0.0000
119	T	H	-1.0701
120	Q	H	-1.0282
121	V	H	0.0000
122	T	H	-0.3335
123	V	H	0.0000
124	S	H	-0.6735
125	S	H	-1.0761