Project name: query_structure

Chain sequence(s)	A: VSGITALTVVVGTVIGAGIFFKPTAVYGAAGAPGLGLLAWFVAGIITIAGGLTVAEIGTIYPQTGGMMIYLEKVYGRWLGFLVGWAQMVIYYPANIAALAIIFATQFVNLFALSDSTIVPTAILTSIFLMGVNFLGTKYSGWIQTLATILKLIPLVVIIVAGLLYPGGGVIRLVPFSVETHPVLTSFGSALIATLFAYDGWINVGTLAGEMKNPGKMLPKVIIGGLSIVMAVYLLTNIAYLFVLDSSQLAGTDTPAALVASHLFEGIGSKLVTIGILISVFGGINGYIISGLRVPYALATQKMLPFSDWFARINPKTNLPINGGLVMLGIAIVMILTGQFNQLTDLIVFVIWFFITLTFIAVIILRKTQPDIERPYRVPFYPVIPLIAIIGGLYIIFNTLIVQPKNAFIGILLTLIGIPIYFYCKKKYGS; B: QVQLVESGGGVVQAGGSLRLSCAASGRTFSSRAMGWFRQAPGEGREFVATISWSGSYTEYADSVKGRVTISRDNAKNTVYLQMNSLKPGDTAVYHCAAKNGGAASNYPNDYVYWGQGTQVTVSSHHHHHHE
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                                          (00:04:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:36)

• Minimal score value: -2.8513
• Maximal score value: 3.3196
• Average score: 0.043
• Total score value: 24.1493

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
4	V	A	2.3112
5	S	A	1.2761
6	G	A	1.2620
7	I	A	2.6507
8	T	A	1.5475
9	A	A	1.2846
10	L	A	1.4036
11	T	A	1.0484
12	V	A	1.2763
13	V	A	0.0000
14	V	A	0.7177
15	G	A	0.6413
16	T	A	-0.0103
17	V	A	0.0000
18	I	A	0.0000
19	G	A	-0.1888
20	A	A	0.0000
21	G	A	0.0000
22	I	A	0.0000
23	F	A	0.0000
24	F	A	0.0000
25	K	A	0.0000
26	P	A	0.0000
27	T	A	-0.8520
28	A	A	-0.5731
29	V	A	0.0000
30	Y	A	0.0000
31	G	A	-0.4933
32	A	A	-0.1270
33	A	A	0.0000
34	G	A	-0.2119
35	A	A	0.0000
36	P	A	0.0000
37	G	A	1.5601
38	L	A	0.0000
39	G	A	0.0000
40	L	A	1.2092
41	L	A	1.3752
42	A	A	0.0000
43	W	A	0.0000
44	F	A	1.7185
45	V	A	1.3173
46	A	A	0.0000
47	G	A	0.0000
48	I	A	1.4995
49	I	A	0.0000
50	T	A	0.0000
51	I	A	0.8839
52	A	A	0.0000
53	G	A	0.0000
54	G	A	0.0000
55	L	A	0.0000
56	T	A	0.0000
57	V	A	0.0000
58	A	A	0.0000
59	E	A	0.0000
60	I	A	0.0000
61	G	A	0.0000
62	T	A	0.0000
63	I	A	0.0000
64	Y	A	0.0000
65	P	A	0.0000
66	Q	A	0.0000
67	T	A	-0.4661
68	G	A	-0.4678
69	G	A	-0.3402
70	M	A	0.0000
71	M	A	-0.4456
72	I	A	0.0000
73	Y	A	0.0000
74	L	A	0.0000
75	E	A	-1.3252
76	K	A	-1.6278
77	V	A	-0.3328
78	Y	A	-0.1801
79	G	A	-0.9636
80	R	A	-1.7277
81	W	A	0.1046
82	L	A	0.0000
83	G	A	0.0000
84	F	A	0.0000
85	L	A	0.0000
86	V	A	0.0000
87	G	A	0.0000
88	W	A	0.5292
89	A	A	0.0000
90	Q	A	-0.0902
91	M	A	0.0000
92	V	A	0.0000
93	I	A	0.0000
94	Y	A	0.0000
95	Y	A	0.0000
96	P	A	0.0000
97	A	A	0.0000
98	N	A	0.0000
99	I	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	L	A	0.0000
103	A	A	0.0000
104	I	A	0.0000
105	I	A	0.0000
106	F	A	0.4103
107	A	A	0.0000
108	T	A	-0.3416
109	Q	A	0.0000
110	F	A	1.0253
111	V	A	0.0000
112	N	A	-0.4365
113	L	A	0.7086
114	F	A	1.3921
115	A	A	0.8523
116	L	A	1.1280
117	S	A	-0.3957
118	D	A	-1.6368
119	S	A	-0.7667
120	T	A	-0.1663
121	I	A	0.0840
122	V	A	0.9141
123	P	A	0.8110
124	T	A	1.0025
125	A	A	0.0000
126	I	A	2.1792
127	L	A	2.5742
128	T	A	1.7955
129	S	A	0.0000
130	I	A	2.4100
131	F	A	2.4694
132	L	A	0.0000
133	M	A	0.0000
134	G	A	1.1614
135	V	A	0.0000
136	N	A	0.0000
137	F	A	0.9853
138	L	A	1.2004
139	G	A	0.0000
140	T	A	-0.2131
141	K	A	-0.9468
142	Y	A	0.3375
143	S	A	0.0000
144	G	A	0.1092
145	W	A	0.9163
146	I	A	0.0000
147	Q	A	0.7232
148	T	A	1.0380
149	L	A	1.6572
150	A	A	0.0000
151	T	A	1.4731
152	I	A	2.7165
153	L	A	2.1648
154	K	A	1.6183
155	L	A	2.1985
156	I	A	3.0988
157	P	A	0.0000
158	L	A	0.0000
159	V	A	3.1350
160	V	A	2.5580
161	I	A	0.0000
162	I	A	2.5577
163	V	A	3.1843
164	A	A	2.1361
165	G	A	0.0000
166	L	A	2.0246
167	L	A	2.2671
168	Y	A	1.0883
169	P	A	0.0910
170	G	A	-0.1637
171	G	A	0.6079
172	G	A	1.5951
173	V	A	2.9677
174	I	A	3.1520
175	R	A	1.4337
176	L	A	2.3734
177	V	A	3.3196
178	P	A	1.9966
179	F	A	2.4782
180	S	A	0.8811
181	V	A	-0.0996
182	E	A	-1.5224
183	T	A	-0.9720
184	H	A	-0.6272
185	P	A	-0.1587
186	V	A	1.3434
187	L	A	1.8603
188	T	A	1.1876
189	S	A	0.0000
190	F	A	0.8893
191	G	A	0.0000
192	S	A	0.2392
193	A	A	0.0000
194	L	A	0.0000
195	I	A	0.0000
196	A	A	0.0000
197	T	A	0.0000
198	L	A	0.0000
199	F	A	0.0000
200	A	A	0.0000
201	Y	A	0.0000
202	D	A	-0.3311
203	G	A	-0.3979
204	W	A	0.0000
205	I	A	-0.3264
206	N	A	-1.0375
207	V	A	0.0000
208	G	A	0.0000
209	T	A	-0.4106
210	L	A	-0.0397
211	A	A	0.0000
212	G	A	0.0000
213	E	A	-0.9413
214	M	A	-0.9230
215	K	A	-1.9101
216	N	A	-2.1517
217	P	A	0.0000
218	G	A	-1.9153
219	K	A	-2.1043
220	M	A	-1.2739
221	L	A	0.0000
222	P	A	-1.1054
223	K	A	-1.6143
224	V	A	0.0000
225	I	A	0.0000
226	I	A	0.6277
227	G	A	0.3545
228	G	A	0.0000
229	L	A	0.0000
230	S	A	0.9445
231	I	A	1.1230
232	V	A	0.0000
233	M	A	0.0000
234	A	A	0.8709
235	V	A	1.1240
236	Y	A	0.0000
237	L	A	1.1586
238	L	A	1.5583
239	T	A	0.0000
240	N	A	0.0000
241	I	A	0.9657
242	A	A	0.0000
243	Y	A	0.0000
244	L	A	0.0000
245	F	A	0.0000
246	V	A	0.0000
247	L	A	0.0000
248	D	A	-0.8911
249	S	A	-0.7784
250	S	A	-0.9396
251	Q	A	-1.2297
252	L	A	0.0000
253	A	A	-1.0825
254	G	A	-1.3085
255	T	A	-1.3310
256	D	A	-1.9888
257	T	A	0.0000
258	P	A	0.0000
259	A	A	0.0000
260	A	A	0.0000
261	L	A	0.0718
262	V	A	0.0000
263	A	A	0.0000
264	S	A	-0.5342
265	H	A	-0.7694
266	L	A	0.1136
267	F	A	-0.3513
268	E	A	-1.6922
269	G	A	-0.3476
270	I	A	1.4719
271	G	A	0.6376
272	S	A	0.2942
273	K	A	0.7036
274	L	A	1.9534
275	V	A	0.0000
276	T	A	0.0000
277	I	A	1.0363
278	G	A	0.0000
279	I	A	0.0000
280	L	A	0.0000
281	I	A	0.9117
282	S	A	0.0000
283	V	A	0.0000
284	F	A	0.4052
285	G	A	0.0000
286	G	A	0.0764
287	I	A	0.0000
288	N	A	0.0000
289	G	A	0.1154
290	Y	A	0.3345
291	I	A	0.0000
292	I	A	0.6046
293	S	A	0.2233
294	G	A	0.0000
295	L	A	0.0000
296	R	A	-0.2739
297	V	A	0.0000
298	P	A	0.0000
299	Y	A	0.0000
300	A	A	-0.1922
301	L	A	0.0000
302	A	A	0.0000
303	T	A	0.0000
304	Q	A	-0.6074
305	K	A	-0.6148
306	M	A	0.0000
307	L	A	0.0000
308	P	A	0.6973
309	F	A	1.5627
310	S	A	0.0000
311	D	A	-1.3377
312	W	A	-0.3865
313	F	A	0.0000
314	A	A	-1.2835
315	R	A	-2.7784
316	I	A	0.0000
317	N	A	-1.8953
318	P	A	-2.0115
319	K	A	-1.7705
320	T	A	-0.8984
321	N	A	-1.0639
322	L	A	0.0000
323	P	A	0.0000
324	I	A	0.4266
325	N	A	0.2026
326	G	A	0.0000
327	G	A	0.0000
328	L	A	1.2618
329	V	A	1.1695
330	M	A	0.0000
331	L	A	1.1954
332	G	A	1.1954
333	I	A	1.5667
334	A	A	0.0000
335	I	A	2.1361
336	V	A	2.5525
337	M	A	0.0000
338	I	A	0.0000
339	L	A	2.1656
340	T	A	0.7845
341	G	A	-0.4244
342	Q	A	-1.3717
343	F	A	0.0000
344	N	A	-1.3755
345	Q	A	-1.6367
346	L	A	0.0000
347	T	A	0.0000
348	D	A	-0.6174
349	L	A	0.0000
350	I	A	0.0000
351	V	A	0.0000
352	F	A	0.0000
353	V	A	0.0000
354	I	A	0.0000
355	W	A	0.0000
356	F	A	1.3862
357	F	A	0.0000
358	I	A	0.0000
359	T	A	0.0000
360	L	A	0.8490
361	T	A	0.0000
362	F	A	0.0000
363	I	A	1.2492
364	A	A	0.0000
365	V	A	0.0000
366	I	A	0.3368
367	I	A	0.0197
368	L	A	0.0000
369	R	A	-1.5230
370	K	A	-2.2895
371	T	A	-1.4074
372	Q	A	-2.1559
373	P	A	-2.2454
374	D	A	-2.6100
375	I	A	-1.5201
376	E	A	-2.3511
377	R	A	0.0000
378	P	A	-1.4375
379	Y	A	0.0000
380	R	A	-1.8236
381	V	A	0.0000
382	P	A	0.7500
383	F	A	2.3345
384	Y	A	1.4188
385	P	A	1.6559
386	V	A	2.8228
387	I	A	2.3511
388	P	A	0.0000
389	L	A	2.4197
390	I	A	2.5071
391	A	A	0.0000
392	I	A	0.0000
393	I	A	2.7649
394	G	A	1.8869
395	G	A	0.0000
396	L	A	2.1380
397	Y	A	1.7035
398	I	A	0.0000
399	I	A	0.0000
400	F	A	2.9630
401	N	A	2.1364
402	T	A	0.0000
403	L	A	2.2396
404	I	A	2.6982
405	V	A	1.6517
406	Q	A	0.3371
407	P	A	0.3867
408	K	A	-0.5497
409	N	A	-0.0300
410	A	A	0.0000
411	F	A	2.3291
412	I	A	2.1904
413	G	A	0.0000
414	I	A	2.6493
415	L	A	2.8134
416	L	A	2.2061
417	T	A	0.0000
418	L	A	2.5297
419	I	A	2.2363
420	G	A	0.0000
421	I	A	1.7555
422	P	A	1.2029
423	I	A	1.3463
424	Y	A	0.0000
425	F	A	0.9847
426	Y	A	0.3437
427	C	A	0.0000
428	K	A	-0.9432
429	K	A	-1.9835
430	K	A	-1.8477
431	Y	A	-0.1934
432	G	A	-0.0528
433	S	A	0.0460
1	Q	B	-1.7148
2	V	B	0.0000
3	Q	B	-1.2138
4	L	B	0.0000
5	V	B	0.9150
6	E	B	0.0147
7	S	B	-0.5336
8	G	B	-1.1880
9	G	B	-0.7324
10	G	B	0.2974
11	V	B	1.2251
12	V	B	-0.1228
13	Q	B	-1.5336
14	A	B	-1.6158
15	G	B	-1.5831
16	G	B	-1.0069
17	S	B	-1.3243
18	L	B	-0.9723
19	R	B	-1.8779
20	L	B	0.0000
21	S	B	-0.4117
22	C	B	0.0000
23	A	B	-0.1404
24	A	B	-0.7413
25	S	B	-0.9862
26	G	B	-1.6700
27	R	B	-2.1018
28	T	B	-1.3433
29	F	B	0.0000
30	S	B	-1.0513
31	S	B	-1.0883
32	R	B	0.0000
33	A	B	0.0000
34	M	B	0.0000
35	G	B	0.0000
36	W	B	0.0000
37	F	B	0.0000
38	R	B	0.0000
39	Q	B	-1.2826
40	A	B	-1.2952
41	P	B	-1.0214
42	G	B	-1.5196
43	E	B	-2.8513
44	G	B	-2.4309
45	R	B	-1.7929
46	E	B	-1.6804
47	F	B	0.0000
48	V	B	0.0000
49	A	B	0.0000
50	T	B	0.0000
51	I	B	0.0000
52	S	B	0.0000
53	W	B	-0.5640
54	S	B	-0.5540
55	G	B	-0.4760
56	S	B	-0.5399
57	Y	B	0.0000
58	T	B	-0.1005
59	E	B	0.0000
60	Y	B	-0.6915
61	A	B	0.0000
62	D	B	-1.1111
63	S	B	-0.9601
64	V	B	0.0000
65	K	B	-2.2498
66	G	B	-1.6733
67	R	B	-1.7448
68	V	B	0.0000
69	T	B	-0.8597
70	I	B	0.0000
71	S	B	-0.4348
72	R	B	-0.8813
73	D	B	-1.3699
74	N	B	-1.2996
75	A	B	-1.2120
76	K	B	-2.0948
77	N	B	-1.6469
78	T	B	-0.7851
79	V	B	0.0000
80	Y	B	-0.5538
81	L	B	0.0000
82	Q	B	-1.1889
83	M	B	0.0000
84	N	B	-1.6006
85	S	B	-1.4747
86	L	B	0.0000
87	K	B	-2.4683
88	P	B	-1.5206
89	G	B	-1.1791
90	D	B	0.0000
91	T	B	-0.5212
92	A	B	0.0000
93	V	B	-0.5974
94	Y	B	0.0000
95	H	B	0.0000
96	C	B	0.0000
97	A	B	0.0000
98	A	B	0.0000
99	K	B	0.0000
100	N	B	-1.1135
101	G	B	-1.0911
102	G	B	0.0000
103	A	B	0.0000
104	A	B	0.0000
105	S	B	0.0000
106	N	B	0.0000
107	Y	B	0.0000
108	P	B	0.0000
109	N	B	-0.3883
110	D	B	-0.4431
111	Y	B	0.0000
112	V	B	1.4851
113	Y	B	0.5896
114	W	B	0.4756
115	G	B	0.0000
116	Q	B	-1.0966
117	G	B	-0.6790
118	T	B	-0.8060
119	Q	B	-1.1763
120	V	B	0.0000
121	T	B	-0.1708
122	V	B	0.0000
123	S	B	-1.2161
124	S	B	-1.5396
125	H	B	-1.9087
126	H	B	-2.0209
127	H	B	-2.3129
128	H	B	-2.2355
129	H	B	-2.5704
130	H	B	-2.6666
131	E	B	-2.5120