Project name: query_structure

Chain sequence(s)	A: YLKNTNFWMFGLFFFFYFFIMGAYFPFFPIWLHDINHISKSDTWIIFAAISLFSLLFQPLFGLLSDKLGLRKYLLWIITGMLVMFAPFFIFIFGPLLQYNILVGSIVGGIYLGFCFNAGAPAVEAFIEKVSRRSNFEFGRARMFGCVGWALCASIVGIMFTINNQFVFWLGSGCALILAVLLFFAKTDAPSSHSAFSLKLALELFRQPKLWFLSLYVIGVSCTYDVFDQQFANFFTSFFATGEQGTRVFWYVTTMGELLNASIMFFAPLIINRIGGKNALLLAGTIMSVRIIGSSFATSALEVVILKTLHMFEVPFLLVGCFKYITSQFEVRFSATIYLVCFCFFKQLAMIFMSVLAGNMYESIGFQGAYLVLGLVALGFTLISVFTLSGPGPLSL; B: VQLVESGGGLVQAGDSLRLSCAASGGTFSTFNMGWFRQDLGKEREFVAAIRWTGGRAYYGDSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCARQGTNGGGYSEATSYNYWGQGTQVTVSSH
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                                          (00:05:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:20)

• Minimal score value: -3.1599
• Maximal score value: 3.0907
• Average score: 0.0761
• Total score value: 39.648

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
3	Y	A	1.0233
4	L	A	1.1439
5	K	A	-0.7621
6	N	A	-0.5897
7	T	A	-0.2038
8	N	A	-0.4361
9	F	A	0.0000
10	W	A	1.1680
11	M	A	1.1156
12	F	A	0.0000
13	G	A	0.0000
14	L	A	0.9791
15	F	A	0.0000
16	F	A	0.0000
17	F	A	0.9545
18	F	A	0.9600
19	Y	A	0.0000
20	F	A	0.0000
21	F	A	0.0000
22	I	A	0.0000
23	M	A	0.0000
24	G	A	0.0000
25	A	A	0.0000
26	Y	A	0.0000
27	F	A	1.1617
28	P	A	0.6558
29	F	A	0.7051
30	F	A	0.0000
31	P	A	-0.1341
32	I	A	-0.0544
33	W	A	0.1426
34	L	A	0.0000
35	H	A	-1.3796
36	D	A	-1.5773
37	I	A	0.0465
38	N	A	-0.7105
39	H	A	-1.6159
40	I	A	0.0000
41	S	A	-1.6667
42	K	A	-2.3491
43	S	A	-1.2646
44	D	A	-0.9390
45	T	A	-0.2234
46	W	A	0.7667
47	I	A	1.3537
48	I	A	0.0000
49	F	A	1.2507
50	A	A	1.2938
51	A	A	0.0000
52	I	A	0.0000
53	S	A	1.3051
54	L	A	2.0305
55	F	A	1.7800
56	S	A	0.0000
57	L	A	1.7070
58	L	A	2.1259
59	F	A	1.6954
60	Q	A	0.0000
61	P	A	1.2546
62	L	A	1.5661
63	F	A	0.0000
64	G	A	0.0000
65	L	A	0.5620
66	L	A	0.3032
67	S	A	0.0000
68	D	A	0.0000
69	K	A	-1.3382
70	L	A	-0.5209
71	G	A	-0.6907
72	L	A	-0.7263
73	R	A	-0.7419
74	K	A	0.3377
75	Y	A	1.4997
76	L	A	0.0000
77	L	A	0.0000
78	W	A	1.5043
79	I	A	1.3235
80	I	A	0.0000
81	T	A	0.0000
82	G	A	0.7761
83	M	A	0.7545
84	L	A	0.0000
85	V	A	1.3837
86	M	A	0.7952
87	F	A	0.0000
88	A	A	0.0000
89	P	A	1.1853
90	F	A	0.0000
91	F	A	0.0000
92	I	A	1.4995
93	F	A	2.4229
94	I	A	1.7759
95	F	A	0.0000
96	G	A	0.0000
97	P	A	0.6233
98	L	A	1.3587
99	L	A	0.0000
100	Q	A	-0.8745
101	Y	A	0.7547
102	N	A	0.2212
103	I	A	1.2159
104	L	A	2.7113
105	V	A	2.7504
106	G	A	0.0000
107	S	A	0.0000
108	I	A	2.8989
109	V	A	1.8571
110	G	A	0.0000
111	G	A	0.0000
112	I	A	1.6642
113	Y	A	0.0000
114	L	A	0.0000
115	G	A	0.0000
116	F	A	0.7267
117	C	A	0.0000
118	F	A	0.0000
119	N	A	0.1218
120	A	A	0.0000
121	G	A	0.0000
122	A	A	0.0000
123	P	A	0.0000
124	A	A	0.0000
125	V	A	0.0000
126	E	A	0.0000
127	A	A	0.0000
128	F	A	0.0000
129	I	A	0.0000
130	E	A	0.0000
131	K	A	0.0000
132	V	A	0.0000
133	S	A	0.0000
134	R	A	-3.0935
135	R	A	-3.1599
136	S	A	-2.3806
137	N	A	-2.4231
138	F	A	0.0000
139	E	A	-0.4951
140	F	A	0.0000
141	G	A	0.0000
142	R	A	0.7278
143	A	A	0.0000
144	R	A	0.2562
145	M	A	0.7858
146	F	A	1.1946
147	G	A	0.0000
148	C	A	0.0000
149	V	A	1.3200
150	G	A	0.0000
151	W	A	0.8660
152	A	A	0.0000
153	L	A	1.1624
154	C	A	0.0000
155	A	A	0.0000
156	S	A	1.2574
157	I	A	1.4589
158	V	A	0.0000
159	G	A	1.3948
160	I	A	2.4940
161	M	A	1.8012
162	F	A	1.4405
163	T	A	1.2627
164	I	A	1.8882
165	N	A	0.0228
166	N	A	0.3966
167	Q	A	-0.0167
168	F	A	0.9803
169	V	A	0.0000
170	F	A	0.0000
171	W	A	1.3074
172	L	A	1.1098
173	G	A	0.0000
174	S	A	1.1064
175	G	A	1.0330
176	C	A	0.0000
177	A	A	0.0000
178	L	A	2.3006
179	I	A	2.3442
180	L	A	0.0000
181	A	A	2.3269
182	V	A	3.0907
183	L	A	0.0000
184	L	A	0.0000
185	F	A	3.0502
186	F	A	2.4617
187	A	A	0.0000
188	K	A	-1.1975
189	T	A	-1.4221
190	D	A	-1.7867
191	A	A	-1.0038
192	P	A	-0.5622
193	S	A	-0.6211
194	S	A	-0.5645
205	H	A	-1.0489
206	S	A	-0.7308
207	A	A	-0.5756
208	F	A	-0.4892
209	S	A	-0.1808
210	L	A	0.2960
211	K	A	-0.6902
212	L	A	0.6328
213	A	A	0.0000
214	L	A	0.9112
215	E	A	-0.3942
216	L	A	0.0000
217	F	A	0.9951
218	R	A	-1.2599
219	Q	A	-0.8778
220	P	A	-0.3625
221	K	A	-0.4112
222	L	A	0.0000
223	W	A	1.2406
224	F	A	1.4234
225	L	A	0.0000
226	S	A	0.9893
227	L	A	1.2809
228	Y	A	0.0000
229	V	A	0.0000
230	I	A	0.7621
231	G	A	0.0000
232	V	A	0.0000
233	S	A	0.0000
234	C	A	0.0000
235	T	A	0.0000
236	Y	A	0.0000
237	D	A	-0.9120
238	V	A	0.0000
239	F	A	0.0000
240	D	A	-1.2301
241	Q	A	-1.4238
242	Q	A	-1.2885
243	F	A	0.0000
244	A	A	-0.5967
245	N	A	-0.9698
246	F	A	0.0000
247	F	A	0.0000
248	T	A	0.0000
249	S	A	0.0000
250	F	A	0.0000
251	F	A	0.0000
252	A	A	-0.4473
253	T	A	-0.9210
254	G	A	0.0000
255	E	A	-2.5676
256	Q	A	-2.0019
257	G	A	0.0000
258	T	A	-1.3957
259	R	A	-1.9924
260	V	A	-0.3730
261	F	A	0.0225
262	W	A	0.3059
263	Y	A	1.0364
264	V	A	0.0000
265	T	A	0.0000
266	T	A	0.0000
267	M	A	1.7884
268	G	A	0.0000
269	E	A	1.1033
270	L	A	1.4894
271	L	A	1.2880
272	N	A	0.0000
273	A	A	0.0000
274	S	A	1.1777
275	I	A	1.5187
276	M	A	0.0000
277	F	A	1.9419
278	F	A	2.6046
279	A	A	0.0000
280	P	A	0.0000
281	L	A	0.6546
282	I	A	0.4039
283	I	A	0.0000
284	N	A	-1.7951
285	R	A	-1.9566
286	I	A	-0.4668
287	G	A	-0.9267
288	G	A	-0.7390
289	K	A	0.0000
290	N	A	0.2441
291	A	A	0.0000
292	L	A	0.0000
293	L	A	0.0000
294	L	A	0.8774
295	A	A	0.0000
296	G	A	0.0000
297	T	A	1.0156
298	I	A	1.3058
299	M	A	0.0000
300	S	A	0.0000
301	V	A	1.9698
302	R	A	0.0000
303	I	A	0.0000
304	I	A	1.9702
305	G	A	1.2693
306	S	A	0.0000
307	S	A	0.0000
308	F	A	1.6770
309	A	A	0.0000
310	T	A	0.1148
311	S	A	0.2448
312	A	A	0.8730
313	L	A	1.7293
314	E	A	0.8478
315	V	A	0.0000
316	V	A	1.6067
317	I	A	2.1239
318	L	A	0.0000
319	K	A	0.0000
320	T	A	1.1744
321	L	A	1.3243
322	H	A	0.6963
323	M	A	0.0000
324	F	A	1.3747
325	E	A	0.0000
326	V	A	0.7169
327	P	A	0.0000
328	F	A	0.8321
329	L	A	0.6436
330	L	A	0.3095
331	V	A	0.0000
332	G	A	0.0000
333	C	A	0.0000
334	F	A	0.0000
335	K	A	-0.7113
336	Y	A	0.0000
337	I	A	0.0000
338	T	A	-0.6410
339	S	A	-0.6331
340	Q	A	-0.8440
341	F	A	0.0000
342	E	A	-1.4199
343	V	A	-0.2573
344	R	A	-0.8874
345	F	A	0.0000
346	S	A	0.0000
347	A	A	0.0000
348	T	A	0.0000
349	I	A	0.0000
350	Y	A	0.0000
351	L	A	0.0000
352	V	A	0.8446
353	C	A	0.0000
354	F	A	0.0000
355	C	A	0.5335
356	F	A	1.2085
357	F	A	1.2310
358	K	A	0.5548
359	Q	A	0.0000
360	L	A	1.4684
361	A	A	1.3032
362	M	A	1.4842
363	I	A	2.1596
364	F	A	3.0311
365	M	A	2.1192
366	S	A	1.4346
367	V	A	2.0644
368	L	A	2.1836
369	A	A	0.0000
370	G	A	-0.1810
371	N	A	-1.1618
372	M	A	-0.3551
373	Y	A	0.0000
374	E	A	-2.1357
375	S	A	-1.0294
376	I	A	0.0107
377	G	A	0.0000
378	F	A	0.0000
379	Q	A	0.0000
380	G	A	0.9249
381	A	A	0.0000
382	Y	A	0.0000
383	L	A	2.0204
384	V	A	2.5435
385	L	A	0.0000
386	G	A	0.0000
387	L	A	2.9127
388	V	A	2.1883
389	A	A	0.0000
390	L	A	2.2583
391	G	A	1.7636
392	F	A	1.9833
393	T	A	0.0000
394	L	A	2.6220
395	I	A	2.7561
396	S	A	0.0000
397	V	A	2.0903
398	F	A	2.6561
399	T	A	1.6558
400	L	A	0.0000
401	S	A	-0.0311
402	G	A	-0.3383
403	P	A	0.2183
404	G	A	0.0000
405	P	A	0.9676
406	L	A	1.8087
407	S	A	1.2104
408	L	A	1.9322
2	V	B	0.1544
3	Q	B	-0.4983
4	L	B	0.0000
5	V	B	1.1333
6	E	B	0.2053
7	S	B	-0.4144
8	G	B	-1.3741
9	G	B	-0.9136
10	G	B	0.0563
11	L	B	0.8975
12	V	B	-0.3702
13	Q	B	-1.8090
14	A	B	-2.0159
15	G	B	-1.9438
16	D	B	-2.1704
17	S	B	-1.8676
18	L	B	0.0000
19	R	B	-2.5025
20	L	B	0.0000
21	S	B	-0.5603
22	C	B	0.0000
23	A	B	-0.0826
24	A	B	-0.0842
25	S	B	-0.2463
26	G	B	-0.5625
27	G	B	-0.2897
28	T	B	-0.5002
29	F	B	0.0000
30	S	B	-0.0806
31	T	B	0.0000
32	F	B	0.0000
33	N	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	-1.6807
40	D	B	-1.6392
41	L	B	0.2402
42	G	B	-1.3319
43	K	B	-2.9681
44	E	B	-3.1423
45	R	B	-2.3350
46	E	B	-1.9292
47	F	B	-0.7640
48	V	B	0.0000
49	A	B	0.0000
50	A	B	0.0000
51	I	B	0.0000
52	R	B	0.0000
53	W	B	-0.3995
54	T	B	-0.1614
55	G	B	-0.5217
56	G	B	-1.0396
57	R	B	-1.2315
58	A	B	-0.4902
59	Y	B	-0.1014
60	Y	B	-0.6409
61	G	B	-1.4463
62	D	B	-2.4762
63	S	B	-1.9106
64	V	B	0.0000
65	K	B	-2.6378
66	G	B	-1.8385
67	R	B	-1.5064
68	F	B	0.0000
69	T	B	-0.9274
70	I	B	0.0000
71	S	B	-0.6810
72	R	B	-1.2740
73	D	B	-2.1004
74	N	B	-2.3337
75	A	B	-1.6995
76	K	B	-2.4689
77	N	B	-1.8249
78	T	B	0.0000
79	V	B	0.0000
80	Y	B	-0.7320
81	L	B	0.0000
82	Q	B	-1.6293
83	M	B	0.0000
84	N	B	-1.8647
85	S	B	-1.6218
86	L	B	0.0000
87	K	B	-2.6090
88	P	B	-1.9605
89	E	B	-2.4560
90	D	B	0.0000
91	T	B	-0.9218
92	A	B	0.0000
93	V	B	-0.6080
94	Y	B	0.0000
95	Y	B	-0.1449
96	C	B	0.0000
97	A	B	0.0000
98	R	B	0.0000
99	Q	B	0.0000
100	G	B	0.0000
101	T	B	-1.2505
102	N	B	-1.5260
103	G	B	-1.0505
104	G	B	-0.9556
105	G	B	0.0000
106	Y	B	0.0193
107	S	B	-0.2470
108	E	B	-0.6869
109	A	B	-0.7975
110	T	B	-0.5822
111	S	B	0.0000
112	Y	B	0.0000
113	N	B	-0.8877
114	Y	B	-0.1675
115	W	B	0.0504
116	G	B	-0.1695
117	Q	B	-0.8654
118	G	B	0.0000
119	T	B	0.0000
120	Q	B	-1.1568
121	V	B	0.0000
122	T	B	-0.3693
123	V	B	0.0000
124	S	B	-1.1818
125	S	B	-1.3433
126	H	B	-1.3640