Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFAIYYLESYPEGEAIVLTVPGSERSYDLTGLKPGTEYWVGIDGVKGGTWSSPLSAIFTTGGGGSGGGGSGGGGSGGGGSLPAPKNLVVSRVTEDSARLSWTAPYAAFDSFAISYRERSREGEVIALTVPGSERSYDLTGLKPGTEYIVGILGVKGGRRSKPLRAQFTTGGGGSGGGGSGGGGSGGGGSLPAPKNLVASRVTEDSARLSWTAPDAAFDSFNIAYWEPGIGGEAIWLRVPGSERSYDLTGLKPGTEYKVWIHGVKGGASSPPLIARFTTGGHHHHHHC
Selected Chain(s)	A
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 A 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                                          (00:03:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:16)

• Minimal score value: -3.3216
• Maximal score value: 2.1725
• Average score: -0.9289
• Total score value: -294.4589

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
1	M	A	0.4751
2	L	A	0.1487
3	P	A	-0.3620
4	A	A	-0.4786
5	P	A	0.0000
6	K	A	-2.0783
7	N	A	-1.4830
8	L	A	0.0000
9	V	A	-0.0935
10	V	A	0.0000
11	S	A	-1.1708
12	R	A	-2.3170
13	V	A	-1.6339
14	T	A	-2.1965
15	E	A	-2.8743
16	D	A	-2.8955
17	S	A	-2.3222
18	A	A	0.0000
19	R	A	-2.1352
20	L	A	0.0000
21	S	A	-0.9520
22	W	A	0.0000
23	T	A	-1.3555
24	A	A	-1.3599
25	P	A	-1.3945
26	D	A	-2.2594
27	A	A	-1.4868
28	A	A	-1.2057
29	F	A	0.0000
30	D	A	-2.6003
31	S	A	-1.4042
32	F	A	0.0000
33	A	A	0.0000
34	I	A	0.0000
35	Y	A	1.2764
36	Y	A	0.8384
37	L	A	-0.0217
38	E	A	-0.7815
39	S	A	0.0000
40	Y	A	0.0681
41	P	A	-0.7128
42	E	A	-2.0677
43	G	A	-1.5883
44	E	A	-1.8028
45	A	A	-0.2460
46	I	A	1.4258
47	V	A	2.1725
48	L	A	1.4191
49	T	A	0.4551
50	V	A	0.0000
51	P	A	-1.0756
52	G	A	0.0000
53	S	A	-1.5539
54	E	A	-1.5677
55	R	A	-1.1077
56	S	A	-0.9719
57	Y	A	-1.1005
58	D	A	-2.2878
59	L	A	0.0000
60	T	A	-1.5542
61	G	A	-1.5189
62	L	A	0.0000
63	K	A	-2.9335
64	P	A	-2.6706
65	G	A	-1.9898
66	T	A	-1.3248
67	E	A	-0.4125
68	Y	A	0.0000
69	W	A	0.2064
70	V	A	0.0000
71	G	A	0.0000
72	I	A	0.0000
73	D	A	0.0000
74	G	A	0.0000
75	V	A	-0.8866
76	K	A	-1.7572
77	G	A	-1.4585
78	G	A	-1.2130
79	T	A	-0.6299
80	W	A	-0.1502
81	S	A	0.0000
82	S	A	-0.0429
83	P	A	-0.1211
84	L	A	-0.2661
85	S	A	-0.0756
86	A	A	0.0000
87	I	A	0.0000
88	F	A	0.0000
89	T	A	-0.7971
90	T	A	0.0000
91	G	A	-2.0561
92	G	A	-2.0042
93	G	A	-1.5951
94	G	A	-1.1439
95	S	A	-0.9438
96	G	A	-1.0077
97	G	A	-1.1638
98	G	A	-1.1392
99	G	A	-1.0961
100	S	A	-0.9932
101	G	A	-1.0873
102	G	A	-1.1818
103	G	A	-1.1693
104	G	A	-1.0900
105	S	A	-1.0260
106	G	A	-1.0773
107	G	A	-1.1291
108	G	A	-1.0602
109	G	A	-0.8611
110	S	A	-1.1433
111	L	A	-1.1715
112	P	A	-0.9907
113	A	A	-1.3314
114	P	A	0.0000
115	K	A	-1.9481
116	N	A	-1.6136
117	L	A	-0.5964
118	V	A	0.5496
119	V	A	-0.1674
120	S	A	-1.0060
121	R	A	-2.1418
122	V	A	-1.2935
123	T	A	-1.9870
124	E	A	-3.0535
125	D	A	-3.0277
126	S	A	-2.3788
127	A	A	0.0000
128	R	A	-2.1873
129	L	A	0.0000
130	S	A	-0.5888
131	W	A	0.0000
132	T	A	-0.8412
133	A	A	-0.5395
134	P	A	0.1909
135	Y	A	0.8798
136	A	A	-0.0731
137	A	A	-0.1767
138	F	A	0.0000
139	D	A	-2.3368
140	S	A	0.0000
141	F	A	0.0000
142	A	A	0.0000
143	I	A	0.0000
144	S	A	-0.0692
145	Y	A	0.0000
146	R	A	-1.6426
147	E	A	-2.5749
148	R	A	-2.9845
149	S	A	-2.3170
150	R	A	-3.3216
151	E	A	-3.2969
152	G	A	-2.2659
153	E	A	-2.1926
154	V	A	-0.3203
155	I	A	0.2759
156	A	A	0.0000
157	L	A	0.0000
158	T	A	-0.0714
159	V	A	0.0000
160	P	A	-0.9345
161	G	A	0.0000
162	S	A	-0.8090
163	E	A	-0.8942
164	R	A	-0.8676
165	S	A	-0.8861
166	Y	A	-1.2570
167	D	A	-2.4274
168	L	A	0.0000
169	T	A	-1.6204
170	G	A	-1.5845
171	L	A	0.0000
172	K	A	-3.1237
173	P	A	-2.8858
174	G	A	-2.1291
175	T	A	-2.0740
176	E	A	-2.0420
177	Y	A	0.0000
178	I	A	-1.2420
179	V	A	0.0000
180	G	A	-0.9565
181	I	A	0.0000
182	L	A	0.0000
183	G	A	0.0000
184	V	A	0.0000
185	K	A	-2.3500
186	G	A	-2.0119
187	G	A	-1.7251
188	R	A	-2.3772
189	R	A	-2.5211
190	S	A	0.0000
191	K	A	-2.3457
192	P	A	-1.6851
193	L	A	-1.5016
194	R	A	-2.1921
195	A	A	-1.0780
196	Q	A	-1.6762
197	F	A	0.0000
198	T	A	-1.4774
199	T	A	0.0000
200	G	A	-1.9380
201	G	A	-2.0645
202	G	A	-1.9404
203	G	A	-1.3101
204	S	A	-0.9236
205	G	A	-1.0453
206	G	A	-1.0653
207	G	A	-1.0724
208	G	A	-1.0016
209	S	A	-0.9409
210	G	A	-1.0171
211	G	A	-1.1027
212	G	A	-1.1168
213	G	A	-1.0740
214	S	A	-0.9482
215	G	A	-1.0840
216	G	A	-1.2232
217	G	A	-1.0690
218	G	A	-0.9784
219	S	A	-0.5967
220	L	A	-0.3155
221	P	A	-0.5239
222	A	A	-0.6119
223	P	A	0.0000
224	K	A	-1.9973
225	N	A	-1.4571
226	L	A	0.0000
227	V	A	0.5238
228	A	A	-0.4897
229	S	A	-0.9251
230	R	A	-2.0084
231	V	A	-1.1617
232	T	A	-1.8139
233	E	A	-2.9661
234	D	A	-2.6370
235	S	A	-2.0031
236	A	A	0.0000
237	R	A	-1.5531
238	L	A	0.0000
239	S	A	-0.5916
240	W	A	0.0000
241	T	A	-1.3596
242	A	A	-1.4144
243	P	A	-1.3714
244	D	A	-2.2707
245	A	A	-1.4796
246	A	A	-1.1679
247	F	A	0.0000
248	D	A	-2.4601
249	S	A	0.0000
250	F	A	0.0000
251	N	A	-0.3898
252	I	A	0.0000
253	A	A	0.0000
254	Y	A	0.0000
255	W	A	0.0000
256	E	A	-0.9135
257	P	A	-0.6082
258	G	A	0.1379
259	I	A	1.1969
260	G	A	0.1282
261	G	A	-0.4967
262	E	A	-1.4014
263	A	A	-0.2760
264	I	A	1.0046
265	W	A	0.6669
266	L	A	0.5140
267	R	A	-0.5147
268	V	A	0.0000
269	P	A	-1.2099
270	G	A	0.0000
271	S	A	-1.5479
272	E	A	-1.5964
273	R	A	-1.1584
274	S	A	-0.7087
275	Y	A	-0.9439
276	D	A	-2.0276
277	L	A	0.0000
278	T	A	-1.3680
279	G	A	-1.4533
280	L	A	0.0000
281	K	A	-2.9693
282	P	A	-2.7746
283	G	A	-2.1759
284	T	A	0.0000
285	E	A	-1.7376
286	Y	A	0.0000
287	K	A	-1.0698
288	V	A	0.0000
289	W	A	0.0000
290	I	A	0.0000
291	H	A	0.0000
292	G	A	0.0000
293	V	A	-1.0362
294	K	A	-1.4705
295	G	A	-1.2699
296	G	A	-1.3091
297	A	A	-0.8014
298	S	A	-0.6885
299	S	A	0.0000
300	P	A	-0.0731
301	P	A	-0.0154
302	L	A	0.0774
303	I	A	0.3155
304	A	A	-0.3573
305	R	A	-1.7578
306	F	A	0.0000
307	T	A	-1.4973
308	T	A	0.0000
309	G	A	-2.0463
310	G	A	-2.5075
311	H	A	-2.9139
312	H	A	-2.8557
313	H	A	-2.7973
314	H	A	-2.6645
315	H	A	-2.2373
316	H	A	-1.6018
317	C	A	-0.1733