Project name: 0210-2

Chain sequence(s)	A: MITFLPIIFSSLVVVTFVIGNFANGFIALVNSIEWFKRQKISFADQILTALAVSRVGLLWVLLLNWYSTVLNPAFNSVEVRTTAYNIWAVINHFSNWLATTLSIFYLLKIANFSNFIFLHLKRRVKSVILVMLLGPLLFLACHLFVINMNEIVRTKEFEGNMTWKIKLKSAMYFSNMTVTMVANLVPFTLTLLSFMLLICSLCKHLKKMQLHGKGSQDPSTKVHIKALQTVISFLLLCAIYFLSIMISVWSFGSLENKPVFMFCKAIRFSYPSIHPFILIWGNKKLKQTFLSVFWQMRYWVKGEKTSSP
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                                          (00:05:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:59)

• Minimal score value: -3.2954
• Maximal score value: 3.7629
• Average score: 0.2713
• Total score value: 83.8453

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	2.6007
2	I	A	3.3029
3	T	A	2.6062
4	F	A	3.7629
5	L	A	3.0759
6	P	A	2.5970
7	I	A	3.1861
8	I	A	2.4526
9	F	A	2.3652
10	S	A	2.2638
11	S	A	1.7917
12	L	A	2.0324
13	V	A	0.0000
14	V	A	2.7757
15	V	A	3.3595
16	T	A	2.5280
17	F	A	2.8253
18	V	A	3.4094
19	I	A	2.9303
20	G	A	0.0000
21	N	A	1.6326
22	F	A	1.8756
23	A	A	0.0000
24	N	A	0.0000
25	G	A	1.1416
26	F	A	0.8853
27	I	A	0.0000
28	A	A	1.1695
29	L	A	1.8248
30	V	A	0.0000
31	N	A	0.0000
32	S	A	0.7684
33	I	A	0.9032
34	E	A	-0.8078
35	W	A	-0.4718
36	F	A	0.2865
37	K	A	-2.0845
38	R	A	-3.0824
39	Q	A	-2.4825
40	K	A	-2.6204
41	I	A	-0.9757
42	S	A	-0.3837
43	F	A	-0.3169
44	A	A	-0.0668
45	D	A	-0.3669
46	Q	A	-0.7246
47	I	A	0.0000
48	L	A	0.0000
49	T	A	0.4437
50	A	A	0.5285
51	L	A	0.0000
52	A	A	0.0000
53	V	A	2.1347
54	S	A	1.3160
55	R	A	0.0000
56	V	A	1.4345
57	G	A	1.1103
58	L	A	0.0000
59	L	A	0.0000
60	W	A	1.2817
61	V	A	0.0000
62	L	A	0.0000
63	L	A	0.0000
64	L	A	1.2427
65	N	A	0.5247
66	W	A	0.0000
67	Y	A	1.3058
68	S	A	0.8640
69	T	A	0.5188
70	V	A	1.0065
71	L	A	1.1316
72	N	A	0.0946
73	P	A	0.1888
74	A	A	0.5349
75	F	A	1.9434
76	N	A	0.7025
77	S	A	0.7497
78	V	A	0.8349
79	E	A	-0.6518
80	V	A	1.0747
81	R	A	0.2523
82	T	A	-0.0165
83	T	A	0.2399
84	A	A	0.5720
85	Y	A	0.3562
86	N	A	0.8597
87	I	A	1.2721
88	W	A	0.0000
89	A	A	0.0000
90	V	A	1.2912
91	I	A	1.3240
92	N	A	0.0000
93	H	A	0.0000
94	F	A	1.3920
95	S	A	0.0000
96	N	A	0.3475
97	W	A	0.0000
98	L	A	0.4638
99	A	A	0.0000
100	T	A	0.0000
101	T	A	0.0000
102	L	A	0.0000
103	S	A	0.0000
104	I	A	0.6328
105	F	A	0.0000
106	Y	A	0.1252
107	L	A	0.0000
108	L	A	0.0000
109	K	A	-1.2126
110	I	A	0.2989
111	A	A	0.0000
112	N	A	-1.4697
113	F	A	0.0326
114	S	A	-0.0876
115	N	A	0.1543
116	F	A	2.2980
117	I	A	2.3533
118	F	A	0.0000
119	L	A	0.2540
120	H	A	-0.3376
121	L	A	-0.3589
122	K	A	-1.7843
123	R	A	-2.8218
124	R	A	-3.0751
125	V	A	-1.9016
126	K	A	-1.8865
127	S	A	-0.7611
128	V	A	-0.0193
129	I	A	0.0000
130	L	A	1.6153
131	V	A	2.5228
132	M	A	1.6419
133	L	A	2.1253
134	L	A	2.8325
135	G	A	1.8211
136	P	A	0.0000
137	L	A	2.4471
138	L	A	2.4020
139	F	A	2.1108
140	L	A	0.0000
141	A	A	1.7890
142	C	A	1.8685
143	H	A	0.0000
144	L	A	1.5674
145	F	A	2.1967
146	V	A	0.0000
147	I	A	0.0000
148	N	A	0.4249
149	M	A	0.7138
150	N	A	0.3860
151	E	A	-0.6440
152	I	A	-0.3002
153	V	A	0.0000
154	R	A	-1.4261
155	T	A	-1.5128
156	K	A	-2.8204
157	E	A	-3.1421
158	F	A	-2.1657
159	E	A	-2.6627
160	G	A	-1.6838
161	N	A	-0.9417
162	M	A	0.4100
163	T	A	0.4182
164	W	A	0.3460
165	K	A	-0.3649
166	I	A	0.8799
167	K	A	-0.5556
168	L	A	0.0885
169	K	A	-0.1303
170	S	A	0.2777
171	A	A	0.5660
172	M	A	0.7178
173	Y	A	1.1406
174	F	A	2.2181
175	S	A	1.1595
176	N	A	0.0000
177	M	A	1.5477
178	T	A	0.9338
179	V	A	1.0353
180	T	A	0.0000
181	M	A	0.8988
182	V	A	1.2314
183	A	A	0.8981
184	N	A	0.0000
185	L	A	1.2581
186	V	A	1.3524
187	P	A	0.0000
188	F	A	1.1189
189	T	A	1.2360
190	L	A	1.5437
191	T	A	0.0000
192	L	A	1.9021
193	L	A	2.4288
194	S	A	0.0000
195	F	A	0.0000
196	M	A	2.1193
197	L	A	1.6795
198	L	A	0.0000
199	I	A	1.0179
200	C	A	0.6262
201	S	A	-0.0622
202	L	A	0.0000
203	C	A	-0.7599
204	K	A	-2.6758
205	H	A	-2.5360
206	L	A	-2.0731
207	K	A	-3.1550
208	K	A	-3.2954
209	M	A	-2.5859
210	Q	A	-2.5869
211	L	A	-0.8931
212	H	A	-1.9193
213	G	A	-1.8136
214	K	A	-2.6779
215	G	A	-1.9343
216	S	A	-1.9053
217	Q	A	-2.2870
218	D	A	-2.0437
219	P	A	-1.2225
220	S	A	-0.6295
221	T	A	0.0000
222	K	A	-1.1871
223	V	A	0.8576
224	H	A	0.3371
225	I	A	0.5182
226	K	A	-0.0276
227	A	A	0.3110
228	L	A	0.3363
229	Q	A	-0.4852
230	T	A	-0.0206
231	V	A	0.0000
232	I	A	1.0283
233	S	A	0.7848
234	F	A	0.0000
235	L	A	0.0000
236	L	A	2.1044
237	L	A	1.6596
238	C	A	0.0000
239	A	A	1.5462
240	I	A	2.0523
241	Y	A	0.0000
242	F	A	0.0000
243	L	A	1.8151
244	S	A	0.0000
245	I	A	0.0000
246	M	A	0.0000
247	I	A	2.1289
248	S	A	0.0000
249	V	A	0.0000
250	W	A	2.0122
251	S	A	1.4887
252	F	A	2.0814
253	G	A	0.7175
254	S	A	0.1338
255	L	A	0.3275
256	E	A	-1.5953
257	N	A	-1.2264
258	K	A	-1.2948
259	P	A	0.1028
260	V	A	0.9494
261	F	A	1.0699
262	M	A	0.0000
263	F	A	1.9353
264	C	A	0.0000
265	K	A	0.7543
266	A	A	0.0000
267	I	A	1.1350
268	R	A	0.4834
269	F	A	0.0000
270	S	A	0.8595
271	Y	A	0.0000
272	P	A	0.0000
273	S	A	0.0000
274	I	A	1.2942
275	H	A	0.0000
276	P	A	0.0000
277	F	A	1.1491
278	I	A	0.6255
279	L	A	0.2332
280	I	A	0.0000
281	W	A	-0.1939
282	G	A	-0.5490
283	N	A	-1.4822
284	K	A	-2.5257
285	K	A	-1.8547
286	L	A	0.0000
287	K	A	-1.8016
288	Q	A	-1.4382
289	T	A	-0.3751
290	F	A	0.2896
291	L	A	0.6677
292	S	A	0.5957
293	V	A	1.5872
294	F	A	1.5613
295	W	A	1.5193
296	Q	A	0.5735
297	M	A	1.4098
298	R	A	0.1133
299	Y	A	0.0783
300	W	A	0.6834
301	V	A	0.8784
302	K	A	-1.5058
303	G	A	-1.6317
304	E	A	-2.7867
305	K	A	-2.5042
306	T	A	-1.3657
307	S	A	-1.1408
308	S	A	-0.7088
309	P	A	-0.4238