Project name: query_structure

Chain sequence(s)	A: VGYMDPGNWITSMQGGAQYGYTLLFVILISSLAAMLLQSMTVRLGIATGKDLAQMTRHFLSKPVAIIFWIIAELAIIATDIAEVIGSAIALDLIFGIPLIVGALITVFDVFLLLFIMRFGFRKIEAIVGTLIFTVLAIFVFEVFISSPQLTDILNGFVPHKEIVTNQGILYIALGIIGATIMPHNLYLHSSIVQSRKYDRHDNEEKAQAIKYATIDSNLQLSIAFVVNCLLLTLGAALFFGTKTNDLGGFYDLYHALKTEPVLGATLGGVMSTLFAVALLASGQNSTITGTLAGQIVMEGFLRLSIPNWLRRLITRSLAVIPVIICLIIFKGNSEKIEQLLVFSQVFLSIALPFSLIPLQLATSNKKLMGPFINKTWVNIISWTLIVILSGLNVYLIIQTF; C: VGYMDPGNWITSMQGGAQYGYTLLFVILISSLAAMLLQSMTVRLGIATGKDLAQMTRHFLSKPVAIIFWIIAELAIIATDIAEVIGSAIALDLIFGIPLIVGALITVFDVFLLLFIMRFGFRKIEAIVGTLIFTVLAIFVFEVFISSPQLTDILNGFVPHKEIVTNQGILYIALGIIGATIMPHNLYLHSSIVQSRKYDRHDNEEKAQAIKYATIDSNLQLSIAFVVNCLLLTLGAALFFGTKTNDLGGFYDLYHALKTEPVLGATLGGVMSTLFAVALLASGQNSTITGTLAGQIVMEGFLRLSIPNWLRRLITRSLAVIPVIICLIIFKGNSEKIEQLLVFSQVFLSIALPFSLIPLQLATSNKKLMGPFINKTWVNIISWTLIVILSGLNVYLIIQTF; B: VQLQESGGGLVQAGGSLRLSCAASRSIFSIDTANWYRQPPGMQRELVATITRDGNANYADSVKGRFTISRDRARNTVYLQMNSLKPEDTGVYYCNAAIRTTVRTSAQEYWGQGTQVTVSS; D: VQLQESGGGLVQAGGSLRLSCAASRSIFSIDTANWYRQPPGMQRELVATITRDGNANYADSVKGRFTISRDRARNTVYLQMNSLKPEDTGVYYCNAAIRTTVRTSAQEYWGQGTQVTVSS
Selected Chain(s)	A,C,B,D
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                                          (00:11:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:18)

• Minimal score value: -4.5644
• Maximal score value: 3.1762
• Average score: -0.0268
• Total score value: -27.904

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
45	V	A	1.0524
46	G	A	0.7299
47	Y	A	1.0004
48	M	A	0.5101
49	D	A	0.0000
50	P	A	0.0000
51	G	A	0.0000
52	N	A	0.0000
53	W	A	0.0000
54	I	A	0.0000
55	T	A	0.0000
56	S	A	0.0000
57	M	A	0.0000
58	Q	A	0.0000
59	G	A	0.0000
60	G	A	0.0000
61	A	A	0.0000
62	Q	A	-0.1452
63	Y	A	0.3405
64	G	A	0.0000
65	Y	A	0.4870
66	T	A	0.1854
67	L	A	0.0000
68	L	A	0.0000
69	F	A	1.3873
70	V	A	0.0000
71	I	A	0.0000
72	L	A	1.7528
73	I	A	1.4922
74	S	A	0.0000
75	S	A	0.0000
76	L	A	1.5211
77	A	A	0.0000
78	A	A	0.0000
79	M	A	0.8192
80	L	A	0.5050
81	L	A	0.0000
82	Q	A	-0.1539
83	S	A	-0.0600
84	M	A	0.0000
85	T	A	0.0000
86	V	A	0.0000
87	R	A	-0.3125
88	L	A	0.0000
89	G	A	0.0000
90	I	A	0.0000
91	A	A	-0.9305
92	T	A	0.0000
93	G	A	-1.5179
94	K	A	-1.8419
95	D	A	0.0000
96	L	A	0.0000
97	A	A	0.0000
98	Q	A	-1.2422
99	M	A	0.0000
100	T	A	0.0000
101	R	A	-0.7797
102	H	A	-0.7689
103	F	A	0.8253
104	L	A	0.2395
105	S	A	-0.6566
106	K	A	-1.2085
107	P	A	-0.1016
108	V	A	1.0415
109	A	A	0.0000
110	I	A	1.6777
111	I	A	2.5467
112	F	A	1.9720
113	W	A	1.9834
114	I	A	2.4227
115	I	A	2.0681
116	A	A	0.0000
117	E	A	0.0000
118	L	A	1.4548
119	A	A	0.0000
120	I	A	0.0000
121	I	A	0.7524
122	A	A	0.0000
123	T	A	0.2780
124	D	A	0.0000
125	I	A	0.6049
126	A	A	0.0000
127	E	A	0.0000
128	V	A	0.0000
129	I	A	0.0000
130	G	A	0.0000
131	S	A	0.0000
132	A	A	0.0000
133	I	A	0.0000
134	A	A	0.0000
135	L	A	1.0595
136	D	A	0.4534
137	L	A	0.0000
138	I	A	1.5497
139	F	A	2.0978
140	G	A	0.6177
141	I	A	1.0679
142	P	A	0.3435
143	L	A	0.0000
144	I	A	1.1209
145	V	A	0.9217
146	G	A	0.0000
147	A	A	0.0000
148	L	A	0.0000
149	I	A	0.5962
150	T	A	0.0000
151	V	A	0.0000
152	F	A	0.0000
153	D	A	0.6952
154	V	A	1.2545
155	F	A	1.7469
156	L	A	1.7672
157	L	A	1.5921
158	L	A	1.8883
159	F	A	2.1937
160	I	A	2.0856
161	M	A	1.4814
162	R	A	0.2976
163	F	A	1.5243
164	G	A	0.3704
165	F	A	0.5346
166	R	A	-1.5721
167	K	A	-1.5402
168	I	A	0.0389
169	E	A	-1.1520
170	A	A	-0.6350
171	I	A	0.5066
172	V	A	0.4166
173	G	A	0.4552
174	T	A	0.9398
175	L	A	0.0000
176	I	A	0.0000
177	F	A	2.1301
178	T	A	1.1499
179	V	A	0.0000
180	L	A	1.2104
181	A	A	1.0449
182	I	A	0.0000
183	F	A	0.0000
184	V	A	1.6533
185	F	A	1.9114
186	E	A	0.0000
187	V	A	0.0000
188	F	A	2.7743
189	I	A	2.4668
190	S	A	1.0152
191	S	A	0.5369
192	P	A	0.0259
193	Q	A	-0.8605
194	L	A	0.7338
195	T	A	-0.0572
196	D	A	-0.7967
197	I	A	0.5815
198	L	A	1.3359
199	N	A	-0.1517
200	G	A	0.0000
201	F	A	1.5026
202	V	A	1.7408
203	P	A	0.0337
204	H	A	-1.2417
205	K	A	-2.5488
206	E	A	-2.4317
207	I	A	0.0000
208	V	A	-0.9353
209	T	A	-1.6281
210	N	A	-2.1194
211	Q	A	-1.5601
212	G	A	-0.7725
213	I	A	-0.4562
214	L	A	0.0000
215	Y	A	0.3093
216	I	A	0.0000
217	A	A	0.0000
218	L	A	0.0000
219	G	A	0.0000
220	I	A	0.0000
221	I	A	0.4157
222	G	A	0.0000
223	A	A	0.0000
224	T	A	0.4971
225	I	A	0.0000
226	M	A	0.2215
227	P	A	0.0000
228	H	A	0.0000
229	N	A	0.1504
230	L	A	0.0000
231	Y	A	0.0000
232	L	A	0.0000
233	H	A	0.1268
234	S	A	0.0000
235	S	A	-0.0724
236	I	A	0.6927
237	V	A	0.0000
238	Q	A	-1.1737
239	S	A	-0.9489
240	R	A	-2.0623
241	K	A	-3.0608
242	Y	A	-3.5849
243	D	A	-4.4774
244	R	A	-4.1997
245	H	A	-3.8016
246	D	A	-4.3010
247	N	A	-4.1529
248	E	A	-3.8878
249	E	A	-4.0285
250	K	A	-3.5393
251	A	A	-2.1634
252	Q	A	-2.1871
253	A	A	0.0000
254	I	A	0.0000
255	K	A	-1.4412
256	Y	A	0.0646
257	A	A	0.0000
258	T	A	0.1731
259	I	A	1.1665
260	D	A	-0.6000
261	S	A	0.0000
262	N	A	0.4562
263	L	A	0.7726
264	Q	A	0.1360
265	L	A	0.8223
266	S	A	1.0070
267	I	A	1.5238
268	A	A	1.3628
269	F	A	1.9084
270	V	A	2.3606
271	V	A	1.5746
272	N	A	0.0000
273	C	A	1.1709
274	L	A	0.9698
275	L	A	0.0000
276	L	A	0.0000
277	T	A	0.0000
278	L	A	0.0000
279	G	A	0.0000
280	A	A	0.4088
281	A	A	0.6056
282	L	A	0.0967
283	F	A	0.0000
284	F	A	0.2169
285	G	A	-0.8106
286	T	A	-1.5773
287	K	A	-2.4054
288	T	A	-1.7624
289	N	A	-1.6853
290	D	A	0.0000
291	L	A	-0.2584
292	G	A	0.0000
293	G	A	0.0000
294	F	A	0.0000
295	Y	A	0.0000
296	D	A	0.0000
297	L	A	0.0000
298	Y	A	0.0000
299	H	A	0.0000
300	A	A	0.0000
301	L	A	0.0000
302	K	A	-0.1469
303	T	A	0.0000
304	E	A	0.1306
305	P	A	0.3705
306	V	A	1.7900
307	L	A	0.0000
308	G	A	0.6442
309	A	A	0.2540
310	T	A	0.7743
311	L	A	1.7224
312	G	A	0.0000
313	G	A	0.9340
314	V	A	2.0220
315	M	A	1.1906
316	S	A	0.0000
317	T	A	1.0517
318	L	A	1.1360
319	F	A	0.0000
320	A	A	0.0000
321	V	A	1.0010
322	A	A	0.0000
323	L	A	0.0000
324	L	A	0.4384
325	A	A	0.0000
326	S	A	0.0000
327	G	A	0.0000
328	Q	A	-0.2483
329	N	A	-0.2143
330	S	A	0.3503
331	T	A	0.0000
332	I	A	1.2092
333	T	A	0.8844
334	G	A	0.5452
335	T	A	0.2440
336	L	A	0.6217
337	A	A	0.0000
338	G	A	0.0000
339	Q	A	-0.9841
340	I	A	0.0000
341	V	A	0.0000
342	M	A	0.0000
343	E	A	-1.2471
344	G	A	0.0000
345	F	A	0.0000
346	L	A	-0.4871
347	R	A	-1.6270
348	L	A	-0.0185
349	S	A	-0.4243
350	I	A	-0.0867
351	P	A	-0.7669
352	N	A	-1.0283
353	W	A	-0.0985
354	L	A	0.0000
355	R	A	-0.5329
356	R	A	-0.1917
357	L	A	0.0000
358	I	A	0.2102
359	T	A	0.0000
360	R	A	0.0000
361	S	A	0.0000
362	L	A	0.8944
363	A	A	0.0000
364	V	A	0.0000
365	I	A	0.9731
366	P	A	0.9520
367	V	A	0.0000
368	I	A	0.0000
369	I	A	2.6342
370	C	A	0.0000
371	L	A	0.0000
372	I	A	3.1624
373	I	A	3.1590
374	F	A	1.3865
375	K	A	0.0005
376	G	A	-0.1687
377	N	A	-1.2261
378	S	A	-1.1753
379	E	A	-1.5911
380	K	A	-1.3484
381	I	A	0.0000
382	E	A	0.0000
383	Q	A	-0.5050
384	L	A	0.3687
385	L	A	0.0000
386	V	A	0.0000
387	F	A	2.0172
388	S	A	0.0000
389	Q	A	0.0000
390	V	A	0.0000
391	F	A	1.2734
392	L	A	0.0000
393	S	A	0.0000
394	I	A	1.1889
395	A	A	0.0000
396	L	A	0.0000
397	P	A	0.9123
398	F	A	1.3473
399	S	A	0.0000
400	L	A	0.0000
401	I	A	1.5120
402	P	A	1.0996
403	L	A	0.0000
404	Q	A	0.0000
405	L	A	1.3244
406	A	A	0.0000
407	T	A	0.0000
408	S	A	-0.6362
409	N	A	-1.4029
410	K	A	-2.6592
411	K	A	-2.5935
412	L	A	-1.2857
413	M	A	0.0000
414	G	A	-1.2067
415	P	A	-0.7012
416	F	A	-0.2977
417	I	A	-0.5090
418	N	A	0.0000
419	K	A	-0.8587
420	T	A	0.3619
421	W	A	1.4861
422	V	A	1.0822
423	N	A	1.2918
424	I	A	2.5969
425	I	A	2.2955
426	S	A	0.0000
427	W	A	2.2522
428	T	A	2.0155
429	L	A	1.7889
430	I	A	0.0000
431	V	A	2.7162
432	I	A	2.4911
433	L	A	0.0000
434	S	A	1.5831
435	G	A	1.6113
436	L	A	1.8795
437	N	A	0.0000
438	V	A	2.6485
439	Y	A	1.9889
440	L	A	0.0000
441	I	A	2.6679
442	I	A	3.1762
443	Q	A	0.9811
444	T	A	1.1911
445	F	A	2.5492
2	V	B	0.7038
3	Q	B	-0.2152
4	L	B	0.0000
5	Q	B	0.0000
6	E	B	0.0000
7	S	B	0.0000
8	G	B	-0.9294
9	G	B	0.0000
10	G	B	-0.5503
11	L	B	-0.1458
12	V	B	0.0000
13	Q	B	-0.9117
14	A	B	-1.2878
15	G	B	-1.0659
16	G	B	-0.7371
17	S	B	-1.0546
18	L	B	0.0000
19	R	B	-1.6842
20	L	B	0.0000
21	S	B	-0.4177
22	C	B	0.0000
23	A	B	-0.5388
24	A	B	-0.5531
25	S	B	-0.7445
26	R	B	-1.5944
27	S	B	-1.0124
28	I	B	0.0000
29	F	B	0.0000
30	S	B	0.0000
31	I	B	0.0000
32	D	B	-0.8377
33	T	B	-0.8877
34	A	B	0.0000
35	N	B	0.0255
36	W	B	0.0000
37	Y	B	-0.0389
38	R	B	0.0000
39	Q	B	-1.1467
40	P	B	0.0000
41	P	B	-0.7325
42	G	B	-0.5493
43	M	B	-0.3704
44	Q	B	-1.8117
45	R	B	-2.2126
46	E	B	-1.2920
47	L	B	-0.0818
48	V	B	0.0000
49	A	B	0.0000
50	T	B	-0.5309
51	I	B	0.0000
52	T	B	-1.6843
53	R	B	-2.0685
54	D	B	-2.8752
55	G	B	-2.3573
56	N	B	-2.2191
57	A	B	-1.5783
58	N	B	-1.9282
59	Y	B	-1.4357
60	A	B	-1.5886
61	D	B	-2.6644
62	S	B	-1.7972
63	V	B	0.0000
64	K	B	-2.8419
65	G	B	-1.8037
66	R	B	-1.5590
67	F	B	0.0000
68	T	B	-0.9338
69	I	B	0.0000
70	S	B	-0.8412
71	R	B	-1.0063
72	D	B	-1.2237
73	R	B	-1.0899
74	A	B	0.0000
75	R	B	-1.4286
76	N	B	0.0000
77	T	B	0.0000
78	V	B	0.0000
79	Y	B	-0.3928
80	L	B	0.0000
81	Q	B	-1.0269
82	M	B	0.0000
83	N	B	-1.3753
84	S	B	-1.1476
85	L	B	0.0000
86	K	B	-2.2012
87	P	B	-1.7692
88	E	B	-2.3445
89	D	B	0.0000
90	T	B	-1.0319
91	G	B	0.0000
92	V	B	-0.3830
93	Y	B	0.0000
94	Y	B	-0.1687
95	C	B	0.0000
96	N	B	0.0000
97	A	B	0.0000
98	A	B	-0.8756
99	I	B	0.0000
100	R	B	0.0000
101	T	B	-0.4375
102	T	B	-0.6606
103	V	B	-0.9465
104	R	B	-2.0289
105	T	B	-1.2158
106	S	B	-1.1751
107	A	B	-0.9263
108	Q	B	-1.3570
109	E	B	-1.7742
110	Y	B	-0.3114
111	W	B	0.2220
112	G	B	-0.2810
113	Q	B	-1.1459
114	G	B	-0.6184
115	T	B	-0.6474
116	Q	B	-0.9579
117	V	B	0.0000
118	T	B	-0.5582
119	V	B	0.0000
120	S	B	-0.5913
121	S	B	-0.5348
45	V	C	1.1913
46	G	C	0.7717
47	Y	C	1.0716
48	M	C	0.6022
49	D	C	0.0000
50	P	C	0.0000
51	G	C	0.0000
52	N	C	0.0000
53	W	C	0.0000
54	I	C	0.0000
55	T	C	0.0000
56	S	C	0.0000
57	M	C	0.0000
58	Q	C	0.0000
59	G	C	0.0000
60	G	C	0.0000
61	A	C	0.0000
62	Q	C	-0.1422
63	Y	C	0.3386
64	G	C	0.0000
65	Y	C	0.4360
66	T	C	0.1529
67	L	C	0.0000
68	L	C	0.0000
69	F	C	1.3246
70	V	C	0.0000
71	I	C	0.0000
72	L	C	1.7069
73	I	C	1.4376
74	S	C	0.0000
75	S	C	0.0000
76	L	C	1.4250
77	A	C	0.0000
78	A	C	0.0000
79	M	C	0.7593
80	L	C	0.4776
81	L	C	0.0000
82	Q	C	-0.1681
83	S	C	-0.0711
84	M	C	0.0000
85	T	C	0.0000
86	V	C	0.0000
87	R	C	-0.3179
88	L	C	0.0000
89	G	C	0.0000
90	I	C	0.0000
91	A	C	-0.9391
92	T	C	0.0000
93	G	C	-1.5946
94	K	C	-1.8819
95	D	C	0.0000
96	L	C	0.0000
97	A	C	0.0000
98	Q	C	-1.0984
99	M	C	0.0000
100	T	C	0.0000
101	R	C	-0.5452
102	H	C	-0.6350
103	F	C	0.9205
104	L	C	0.3222
105	S	C	-0.6199
106	K	C	-1.1700
107	P	C	-0.0970
108	V	C	1.0708
109	A	C	0.0000
110	I	C	1.7378
111	I	C	2.6140
112	F	C	2.0528
113	W	C	2.0566
114	I	C	2.4596
115	I	C	2.1307
116	A	C	0.0000
117	E	C	0.0000
118	L	C	1.4926
119	A	C	0.0000
120	I	C	0.0000
121	I	C	0.8080
122	A	C	0.0000
123	T	C	0.0000
124	D	C	0.0000
125	I	C	0.6369
126	A	C	0.0000
127	E	C	0.0000
128	V	C	0.0000
129	I	C	0.0000
130	G	C	0.0000
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