Project name: query_structure

Chain sequence(s)	A: ETTYFELTALGLLSLVIGVLAGAVDTFFGKILLFLSAFRESHFLPLILFLPIIGICFTYLFQKYGDRSPQGMNLVFLVGQEEEKDIPLRLIPFVMVGTWLTHLFGGSAGREGVAVQLGATIANRLGNWVRLEKYASTLIMIGMAAGFAGLFETPIAATFFALEVLVIGKFSHHALLPALLAAFTASTTSQWLGLEKFSLMLPQSVDLTIPVFLKLLVIGLIFGMVGGSFAGCLETMKRIMKRRFPNPLWRIGIGALALVLLFVLLYQGRYSGLGTNLISASFTNQPIYSYDWLLKLVLTVLTISSGFLGGEVTPLFAIGSSLGVVLAPLFGLPIELVAALGYASVFGSATSTLFAPIFIGGEVFGFQNLPFFVIVCSVAYFISKPYSIYPLQKTS; C: SSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAHGWLQWYMSPISINYQT; B: ETTYFELTALGLLSLVIGVLAGAVDTFFGKILLFLSAFRESHFLPLILFLPIIGICFTYLFQKYGDRSPQGMNLVFLVGQEEEKDIPLRLIPFVMVGTWLTHLFGGSAGREGVAVQLGATIANRLGNWVRLEKYASTLIMIGMAAGFAGLFETPIAATFFALEVLVIGKFSHHALLPALLAAFTASTTSQWLGLEKFSLMLPQSVDLTIPVFLKLLVIGLIFGMVGGSFAGCLETMKRIMKRRFPNPLWRIGIGALALVLLFVLLYQGRYSGLGTNLISASFTNQPIYSYDWLLKLVLTVLTISSGFLGGEVTPLFAIGSSLGVVLAPLFGLPIELVAALGYASVFGSATSTLFAPIFIGGEVFGFQNLPFFVIVCSVAYFISKPYSIYPLQKTSA; D: SVPTKLEVAATPTSLLISWDASSSSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAHGWLQWYMSPISINYQT
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                                          (00:08:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:18)

• Minimal score value: -4.0282
• Maximal score value: 3.4966
• Average score: -0.0382
• Total score value: -36.9397

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
8	E	A	-1.7062
9	T	A	-0.3868
10	T	A	0.7573
11	Y	A	2.0907
12	F	A	2.3920
13	E	A	0.0000
14	L	A	2.0175
15	T	A	1.5755
16	A	A	1.2474
17	L	A	1.2362
18	G	A	1.2191
19	L	A	2.0358
20	L	A	0.0000
21	S	A	0.0000
22	L	A	1.8809
23	V	A	1.9417
24	I	A	0.0000
25	G	A	0.0000
26	V	A	1.8324
27	L	A	1.5196
28	A	A	0.0000
29	G	A	0.0000
30	A	A	1.4198
31	V	A	1.2499
32	D	A	0.0000
33	T	A	0.0000
34	F	A	1.9977
35	F	A	0.0000
36	G	A	0.0000
37	K	A	0.5305
38	I	A	1.7922
39	L	A	0.0000
40	L	A	1.9717
41	F	A	2.7364
42	L	A	1.9253
43	S	A	1.3041
44	A	A	1.3626
45	F	A	1.3956
46	R	A	0.0000
47	E	A	-0.1314
48	S	A	-0.1762
49	H	A	-0.3264
50	F	A	0.0000
51	L	A	1.1555
52	P	A	0.7592
53	L	A	1.3413
54	I	A	0.0000
55	L	A	3.1764
56	F	A	3.4966
57	L	A	0.0000
58	P	A	0.0000
59	I	A	2.7966
60	I	A	2.2796
61	G	A	0.0000
62	I	A	2.1478
63	C	A	2.0331
64	F	A	1.5302
65	T	A	0.9654
66	Y	A	1.5368
67	L	A	1.2706
68	F	A	0.0000
69	Q	A	-1.4163
70	K	A	-1.5221
71	Y	A	-0.3044
72	G	A	0.0000
73	D	A	-3.2023
74	R	A	-3.3466
75	S	A	0.0000
76	P	A	-1.6146
77	Q	A	-1.6078
78	G	A	-0.6900
79	M	A	-0.1696
80	N	A	-0.6065
81	L	A	0.0000
82	V	A	0.0000
83	F	A	0.0000
84	L	A	-1.8511
85	V	A	0.0000
86	G	A	-1.3940
87	Q	A	-2.0623
88	E	A	-3.4412
89	E	A	-3.7150
90	E	A	-3.6342
91	K	A	-4.0282
92	D	A	-2.8478
93	I	A	0.0000
94	P	A	-1.2664
95	L	A	-0.1203
96	R	A	-1.2183
97	L	A	0.0000
98	I	A	0.1284
99	P	A	-0.0405
100	F	A	0.5032
101	V	A	0.0000
102	M	A	0.0000
103	V	A	1.0617
104	G	A	0.0000
105	T	A	0.0000
106	W	A	1.1951
107	L	A	0.8682
108	T	A	0.0000
109	H	A	0.0000
110	L	A	1.2211
111	F	A	1.4952
112	G	A	0.0000
113	G	A	0.0000
114	S	A	0.0000
115	A	A	0.0000
116	G	A	0.0000
117	R	A	-0.1908
118	E	A	0.0000
119	G	A	0.0000
120	V	A	0.0000
121	A	A	0.0000
122	V	A	0.0000
123	Q	A	0.0000
124	L	A	0.0000
125	G	A	0.0000
126	A	A	0.0000
127	T	A	0.0000
128	I	A	0.0000
129	A	A	0.0000
130	N	A	0.0000
131	R	A	-0.0332
132	L	A	0.2519
133	G	A	0.0000
134	N	A	-1.2887
135	W	A	0.6431
136	V	A	-0.0119
137	R	A	-2.0091
138	L	A	0.0000
139	E	A	-3.1002
140	K	A	-2.9144
141	Y	A	-1.7463
142	A	A	-2.0927
143	S	A	-1.5914
144	T	A	0.0000
145	L	A	0.0000
146	I	A	0.0000
147	M	A	0.0000
148	I	A	0.0000
149	G	A	0.0000
150	M	A	0.0000
151	A	A	0.0000
152	A	A	0.0000
153	G	A	0.0000
154	F	A	0.0000
155	A	A	0.0000
156	G	A	0.0000
157	L	A	0.0000
158	F	A	0.0000
159	E	A	0.0000
160	T	A	0.0000
161	P	A	0.0251
162	I	A	0.0000
163	A	A	0.0000
164	A	A	0.0000
165	T	A	0.0000
166	F	A	0.0000
167	F	A	0.0000
168	A	A	0.0000
169	L	A	0.0000
170	E	A	-0.3541
171	V	A	0.0000
172	L	A	0.0000
173	V	A	-0.6703
174	I	A	0.0000
175	G	A	-0.9720
176	K	A	-1.1212
177	F	A	0.0000
178	S	A	-0.5898
179	H	A	-0.5809
180	H	A	-0.5858
181	A	A	0.0000
182	L	A	0.0000
183	L	A	0.3121
184	P	A	0.4556
185	A	A	0.0000
186	L	A	0.0000
187	L	A	0.6336
188	A	A	0.0000
189	A	A	0.0000
190	F	A	0.5871
191	T	A	0.8046
192	A	A	0.0000
193	S	A	0.0000
194	T	A	0.5497
195	T	A	0.8819
196	S	A	0.0000
197	Q	A	-0.3598
198	W	A	1.1028
199	L	A	1.3307
200	G	A	-0.3539
201	L	A	0.0000
202	E	A	-2.1473
203	K	A	-1.4145
204	F	A	-0.1990
205	S	A	0.0572
206	L	A	0.9629
207	M	A	0.9829
208	L	A	0.0000
209	P	A	-0.7038
210	Q	A	-1.6380
211	S	A	-1.1280
212	V	A	-0.8877
213	D	A	-1.6448
214	L	A	-0.1783
215	T	A	0.0701
216	I	A	0.7059
217	P	A	0.2167
218	V	A	0.0000
219	F	A	0.0000
220	L	A	1.5156
221	K	A	0.6398
222	L	A	0.0000
223	L	A	1.3425
224	V	A	1.8663
225	I	A	0.0000
226	G	A	0.0000
227	L	A	1.5977
228	I	A	1.2824
229	F	A	0.0000
230	G	A	0.0000
231	M	A	1.4326
232	V	A	0.0000
233	G	A	0.0000
234	G	A	0.0000
235	S	A	0.1995
236	F	A	0.0000
237	A	A	0.0000
238	G	A	-0.2671
239	C	A	-0.3330
240	L	A	0.0000
241	E	A	-1.9009
242	T	A	-1.1376
243	M	A	-0.7384
244	K	A	-1.5377
245	R	A	-2.2340
246	I	A	-1.4857
247	M	A	0.0000
248	K	A	-2.8874
249	R	A	-3.4045
250	R	A	-2.9528
251	F	A	-1.6761
252	P	A	-1.9050
253	N	A	-1.4816
254	P	A	-0.3280
255	L	A	0.9696
256	W	A	0.9488
257	R	A	-0.3854
258	I	A	0.0000
259	G	A	0.0000
260	I	A	1.6037
261	G	A	0.0000
262	A	A	0.0000
263	L	A	2.7444
264	A	A	1.5088
265	L	A	0.0000
266	V	A	2.1476
267	L	A	2.2188
268	L	A	1.5561
269	F	A	0.0000
270	V	A	0.0000
271	L	A	1.4914
272	L	A	1.1487
273	Y	A	0.0000
274	Q	A	0.0000
275	G	A	0.0000
276	R	A	0.0000
277	Y	A	0.0000
278	S	A	0.0000
279	G	A	0.0000
280	L	A	0.0000
281	G	A	0.0000
282	T	A	-0.3201
283	N	A	-0.7496
284	L	A	0.0000
285	I	A	0.0000
286	S	A	-0.4305
287	A	A	0.0000
288	S	A	0.0000
289	F	A	-0.2865
290	T	A	-0.6826
291	N	A	-1.2516
292	Q	A	-0.7064
293	P	A	-0.2572
294	I	A	0.2877
295	Y	A	0.5598
296	S	A	0.5744
297	Y	A	0.9476
298	D	A	0.0000
299	W	A	1.0073
300	L	A	1.3107
301	L	A	1.0291
302	K	A	0.0000
303	L	A	0.0000
304	V	A	1.0592
305	L	A	0.0000
306	T	A	0.0000
307	V	A	0.0000
308	L	A	0.4509
309	T	A	0.0000
310	I	A	0.2494
311	S	A	0.0000
312	S	A	0.0000
313	G	A	-0.2780
314	F	A	0.0000
315	L	A	0.3793
316	G	A	0.1192
317	G	A	0.0000
318	E	A	-0.1881
319	V	A	0.0000
320	T	A	0.0000
321	P	A	0.0000
322	L	A	0.0000
323	F	A	0.0000
324	A	A	0.0000
325	I	A	0.0000
326	G	A	0.0000
327	S	A	0.0000
328	S	A	0.0000
329	L	A	0.0000
330	G	A	0.0000
331	V	A	0.6256
332	V	A	1.1994
333	L	A	0.0000
334	A	A	0.0000
335	P	A	0.7138
336	L	A	1.5303
337	F	A	0.7502
338	G	A	0.0330
339	L	A	0.0000
340	P	A	-0.0335
341	I	A	0.1879
342	E	A	-0.6874
343	L	A	0.0000
344	V	A	0.0000
345	A	A	0.0000
346	A	A	0.0000
347	L	A	0.0000
348	G	A	0.0000
349	Y	A	0.0000
350	A	A	0.0000
351	S	A	0.0000
352	V	A	0.0000
353	F	A	0.0000
354	G	A	0.0000
355	S	A	0.0000
356	A	A	0.0000
357	T	A	0.0000
358	S	A	0.0000
359	T	A	0.0000
360	L	A	0.0000
361	F	A	0.0000
362	A	A	0.0000
363	P	A	0.0000
364	I	A	0.0000
365	F	A	0.0000
366	I	A	0.0000
367	G	A	0.0000
368	G	A	0.0000
369	E	A	-0.0755
370	V	A	0.0000
371	F	A	0.0000
372	G	A	0.0369
373	F	A	-0.1884
374	Q	A	-0.6241
375	N	A	0.0000
376	L	A	0.0000
377	P	A	-0.0271
378	F	A	0.0000
379	F	A	0.0000
380	V	A	0.0000
381	I	A	0.0000
382	V	A	0.0000
383	C	A	0.0000
384	S	A	0.0000
385	V	A	0.0000
386	A	A	0.0000
387	Y	A	0.0000
388	F	A	0.6443
389	I	A	1.0473
390	S	A	0.0000
391	K	A	0.2407
392	P	A	0.1416
393	Y	A	0.9162
394	S	A	0.1455
395	I	A	0.0000
396	Y	A	0.0000
397	P	A	-0.5063
398	L	A	-0.0928
399	Q	A	-0.7117
400	K	A	-1.5652
401	T	A	-0.9456
402	S	A	-0.8000
8	E	B	-1.7423
9	T	B	-0.4519
10	T	B	0.7082
11	Y	B	2.0670
12	F	B	2.4056
13	E	B	1.1294
14	L	B	1.8897
15	T	B	1.5056
16	A	B	0.0000
17	L	B	1.2128
18	G	B	1.2434
19	L	B	2.1312
20	L	B	0.0000
21	S	B	0.0000
22	L	B	2.2023
23	V	B	2.1692
24	I	B	0.0000
25	G	B	0.0000
26	V	B	1.7804
27	L	B	1.5594
28	A	B	0.0000
29	G	B	0.0000
30	A	B	1.3802
31	V	B	1.3815
32	D	B	0.0000
33	T	B	0.0000
34	F	B	2.0403
35	F	B	0.0000
36	G	B	0.0000
37	K	B	0.4208
38	I	B	1.5837
39	L	B	0.0000
40	L	B	1.8214
41	F	B	2.7261
42	L	B	1.8326
43	S	B	1.3020
44	A	B	1.1774
45	F	B	1.2992
46	R	B	0.0000
47	E	B	-0.2373
48	S	B	-0.3102
49	H	B	-0.5833
50	F	B	0.0000
51	L	B	0.6798
52	P	B	0.4489
53	L	B	1.0240
54	I	B	0.0000
55	L	B	2.6810
56	F	B	3.4148
57	L	B	0.0000
58	P	B	0.0000
59	I	B	3.0587
60	I	B	2.1566
61	G	B	0.0000
62	I	B	2.2379
63	C	B	1.5841
64	F	B	0.0000
65	T	B	0.5374
66	Y	B	0.9220
67	L	B	0.5720
68	F	B	0.0000
69	Q	B	-1.4227
70	K	B	-1.5822
71	Y	B	-0.3409
72	G	B	0.0000
73	D	B	-2.5011
74	R	B	-2.0341
75	S	B	0.0000
76	P	B	-1.2383
77	Q	B	-1.3276
78	G	B	0.0000
79	M	B	-0.2187
80	N	B	-0.5465
81	L	B	0.0000
82	V	B	0.0000
83	F	B	0.0000
84	L	B	-1.7866
85	V	B	0.0000
86	G	B	-1.3543
87	Q	B	-1.9652
88	E	B	-3.3652
89	E	B	-3.6028
90	E	B	-3.4078
91	K	B	-3.7714
92	D	B	-2.5449
93	I	B	0.0000
94	P	B	-1.0051
95	L	B	-0.0675
96	R	B	-1.2225
97	L	B	0.0000
98	I	B	0.0933
99	P	B	-0.0666
100	F	B	0.4504
101	V	B	0.0000
102	M	B	0.0000
103	V	B	1.0453
104	G	B	0.0000
105	T	B	0.0000
106	W	B	1.1393
107	L	B	0.7999
108	T	B	0.0000
109	H	B	0.0000
110	L	B	1.1271
111	F	B	1.3420
112	G	B	0.0000
113	G	B	0.0000
114	S	B	0.0000
115	A	B	0.0000
116	G	B	0.0000
117	R	B	-0.2176
118	E	B	0.0000
119	G	B	0.0000
120	V	B	0.0000
121	A	B	0.0000
122	V	B	0.0000
123	Q	B	0.0000
124	L	B	0.0000
125	G	B	0.0000
126	A	B	0.0000
127	T	B	0.0000
128	I	B	0.0000
129	A	B	0.0000
130	N	B	0.0000
131	R	B	-0.0012
132	L	B	0.3867
133	G	B	0.0000
134	N	B	-1.1114
135	W	B	0.6654
136	V	B	-0.0688
137	R	B	-1.9435
138	L	B	0.0000
139	E	B	-2.6728
140	K	B	-2.7319
141	Y	B	-1.6662
142	A	B	-1.9496
143	S	B	-1.5249
144	T	B	0.0000
145	L	B	0.0000
146	I	B	0.0000
147	M	B	0.0000
148	I	B	0.0000
149	G	B	0.0000
150	M	B	0.0000
151	A	B	0.0000
152	A	B	0.0000
153	G	B	0.0000
154	F	B	0.0000
155	A	B	0.0000
156	G	B	0.0000
157	L	B	0.0000
158	F	B	0.0000
159	E	B	0.0000
160	T	B	0.0000
161	P	B	0.0399
162	I	B	0.0000
163	A	B	0.0000
164	A	B	0.0000
165	T	B	0.0000
166	F	B	0.0000
167	F	B	0.0000
168	A	B	0.0000
169	L	B	0.0000
170	E	B	-0.3760
171	V	B	0.0000
172	L	B	0.0000
173	V	B	-0.4943
174	I	B	0.0000
175	G	B	-0.8997
176	K	B	-1.2549
177	F	B	0.0000
178	S	B	-0.6845
179	H	B	-0.6429
180	H	B	-0.6578
181	A	B	0.0000
182	L	B	0.0000
183	L	B	0.2809
184	P	B	0.4919
185	A	B	0.0000
186	L	B	0.0000
187	L	B	0.7269
188	A	B	0.0000
189	A	B	0.0000
190	F	B	0.5623
191	T	B	0.7571
192	A	B	0.0000
193	S	B	0.0000
194	T	B	0.2533
195	T	B	0.6078
196	S	B	0.0000
197	Q	B	-0.8987
198	W	B	0.7619
199	L	B	1.0143
200	G	B	-0.6424
201	L	B	0.0000
202	E	B	-2.1381
203	K	B	-1.1736
204	F	B	-0.0806
205	S	B	0.1387
206	L	B	0.9605
207	M	B	0.9873
208	L	B	0.0000
209	P	B	-0.6641
210	Q	B	-1.6414
211	S	B	-1.1293
212	V	B	-0.8812
213	D	B	-1.5196
214	L	B	0.0861
215	T	B	0.4335
216	I	B	1.3311
217	P	B	0.5487
218	V	B	0.0000
219	F	B	1.1043
220	L	B	1.6317
221	K	B	0.6647
222	L	B	0.0000
223	L	B	1.2842
224	V	B	1.6675
225	I	B	0.0000
226	G	B	0.0000
227	L	B	1.6781
228	I	B	1.3321
229	F	B	0.0000
230	G	B	0.0000
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