Project name: MFE23_2

Chain sequence(s)	A: ETVIMKYLLPTAAAGLLLLAAQPAMAQVKLQQSGAELVRSGTSVKLSCTASGFNIKDSYMHWLRQGPEQGLEWIGWIDPENGDTEYAPKFQGKATFTTDTSSNTAYLQLSSLTSEDTAVYYCNEGTPTGPYYFDYWGQGTTVTVSSGGGGSGGGGSGGGGSENVLTQSPAIMSASPGEKVTITCSASSSVSYMHWFQQKPGTSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISRMEAEDAATYYCQQRSSYPLTFGAGTKLELKRAAAEQKLISEEDLN
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:09)

• Minimal score value: -3.481
• Maximal score value: 3.4538
• Average score: -0.5326
• Total score value: -150.1887

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	E	A	-1.4496
2	T	A	0.5312
3	V	A	2.3929
4	I	A	3.0796
5	M	A	2.2040
6	K	A	0.7251
7	Y	A	2.1047
8	L	A	2.5566
9	L	A	2.3168
10	P	A	1.0226
11	T	A	0.4208
12	A	A	0.1231
13	A	A	0.1174
14	A	A	0.4870
15	G	A	1.0021
16	L	A	2.7210
17	L	A	3.3738
18	L	A	3.4538
19	L	A	2.8114
20	A	A	1.1487
21	A	A	0.1179
22	Q	A	-0.8634
23	P	A	-0.4683
24	A	A	-0.0513
25	M	A	0.5326
26	A	A	-0.2380
27	Q	A	-1.2297
28	V	A	-1.1057
29	K	A	-2.1254
30	L	A	0.0000
31	Q	A	-1.5604
32	Q	A	0.0000
33	S	A	-0.9014
34	G	A	-0.8928
35	A	A	-0.1979
36	E	A	-0.3389
37	L	A	0.8240
38	V	A	-0.3665
39	R	A	-1.8496
40	S	A	-1.7788
41	G	A	-1.2142
42	T	A	-0.9107
43	S	A	-1.0948
44	V	A	0.0000
45	K	A	-1.9912
46	L	A	0.0000
47	S	A	-0.6341
48	C	A	0.0000
49	T	A	-0.7832
50	A	A	0.0000
51	S	A	-1.3214
52	G	A	-0.8636
53	F	A	-1.2323
54	N	A	-1.9540
55	I	A	0.0000
56	K	A	-2.9446
57	D	A	-2.7984
58	S	A	0.0000
59	Y	A	-0.8949
60	M	A	0.0000
61	H	A	0.0000
62	W	A	0.0000
63	L	A	0.0000
64	R	A	-0.4482
65	Q	A	-0.9532
66	G	A	-1.5022
67	P	A	-1.7242
68	E	A	-2.5677
69	Q	A	-2.3271
70	G	A	-1.2177
71	L	A	0.0000
72	E	A	-0.6788
73	W	A	0.0000
74	I	A	0.0000
75	G	A	0.0000
76	W	A	0.0000
77	I	A	0.0000
78	D	A	0.0000
79	P	A	0.0000
80	E	A	-3.4322
81	N	A	-3.0157
82	G	A	-2.4889
83	D	A	-2.8072
84	T	A	-1.4207
85	E	A	-0.9871
86	Y	A	-0.7404
87	A	A	0.0000
88	P	A	-1.8908
89	K	A	-2.4316
90	F	A	0.0000
91	Q	A	-2.1115
92	G	A	-1.5056
93	K	A	-1.4471
94	A	A	0.0000
95	T	A	-0.8051
96	F	A	0.0000
97	T	A	-0.5235
98	T	A	-0.7975
99	D	A	-0.9198
100	T	A	-1.2477
101	S	A	-0.7143
102	S	A	-0.7323
103	N	A	-0.9646
104	T	A	0.0000
105	A	A	0.0000
106	Y	A	-0.4759
107	L	A	0.0000
108	Q	A	-1.4118
109	L	A	0.0000
110	S	A	-0.9272
111	S	A	-0.8527
112	L	A	0.0000
113	T	A	-1.4335
114	S	A	-1.5058
115	E	A	-1.9825
116	D	A	0.0000
117	T	A	-0.6138
118	A	A	0.0000
119	V	A	0.0783
120	Y	A	0.0000
121	Y	A	0.0000
122	C	A	0.0000
123	N	A	0.0000
124	E	A	-0.4273
125	G	A	0.0000
126	T	A	-0.4535
127	P	A	-0.4058
128	T	A	-0.1505
129	G	A	-0.0291
130	P	A	0.1069
131	Y	A	0.4407
132	Y	A	0.0000
133	F	A	0.0000
134	D	A	-0.6711
135	Y	A	-0.4682
136	W	A	-0.7697
137	G	A	0.0000
138	Q	A	-1.4486
139	G	A	-0.7181
140	T	A	0.0000
141	T	A	-0.0872
142	V	A	0.0000
143	T	A	-0.1672
144	V	A	0.0000
145	S	A	-0.7751
146	S	A	-1.1751
147	G	A	-1.3076
148	G	A	-1.1713
149	G	A	-1.1044
150	G	A	-1.2035
151	S	A	-0.9962
152	G	A	-1.1663
153	G	A	-1.1799
154	G	A	-1.1653
155	G	A	-1.3846
156	S	A	-1.1978
157	G	A	-1.4480
158	G	A	-1.4661
159	G	A	-1.2598
160	G	A	-1.2565
161	S	A	-0.9325
162	E	A	-0.9958
163	N	A	-0.0976
164	V	A	1.2347
165	L	A	0.0000
166	T	A	0.2365
167	Q	A	0.0000
168	S	A	0.0060
169	P	A	0.3370
170	A	A	0.6978
171	I	A	1.3706
172	M	A	0.2565
173	S	A	-1.1388
174	A	A	0.0000
175	S	A	-2.1938
176	P	A	-2.0670
177	G	A	-2.4172
178	E	A	-3.2608
179	K	A	-3.3512
180	V	A	0.0000
181	T	A	-0.4804
182	I	A	0.0000
183	T	A	-0.2589
184	C	A	0.0000
185	S	A	-0.1696
186	A	A	0.0000
187	S	A	-0.0882
188	S	A	-0.3908
189	S	A	-0.4605
190	V	A	0.0000
191	S	A	0.0370
192	Y	A	0.7104
193	M	A	0.0000
194	H	A	0.0000
195	W	A	0.0000
196	F	A	0.0000
197	Q	A	0.0000
198	Q	A	0.0000
199	K	A	-1.4914
200	P	A	-0.8595
201	G	A	-0.8997
202	T	A	-0.9972
203	S	A	-0.8187
204	P	A	0.0000
205	K	A	-1.3764
206	L	A	0.0000
207	W	A	-0.4042
208	I	A	0.0000
209	Y	A	0.2075
210	S	A	0.2172
211	T	A	0.0000
212	S	A	-0.3991
213	N	A	-0.6467
214	L	A	-0.0242
215	A	A	0.0000
216	S	A	-0.4995
217	G	A	-0.4826
218	V	A	0.0000
219	P	A	-0.2403
220	A	A	-0.1998
221	R	A	-1.2834
222	F	A	0.0000
223	S	A	-0.4146
224	G	A	0.0000
225	S	A	-0.5097
226	G	A	-0.5225
227	S	A	-0.4442
228	G	A	-0.4630
229	T	A	-0.4697
230	S	A	-0.5980
231	Y	A	0.0000
232	S	A	-0.3504
233	L	A	0.0000
234	T	A	-0.8048
235	I	A	0.0000
236	S	A	-2.2595
237	R	A	-3.4810
238	M	A	0.0000
239	E	A	-2.4777
240	A	A	-1.6060
241	E	A	-2.2757
242	D	A	0.0000
243	A	A	-1.5622
244	A	A	0.0000
245	T	A	0.0000
246	Y	A	0.0000
247	Y	A	0.0000
248	C	A	0.0000
249	Q	A	0.0000
250	Q	A	0.0000
251	R	A	-0.1764
252	S	A	-0.1473
253	S	A	-0.2612
254	Y	A	0.2241
255	P	A	-0.1434
256	L	A	0.0000
257	T	A	0.1994
258	F	A	0.3265
259	G	A	0.0000
260	A	A	-0.5824
261	G	A	0.0000
262	T	A	0.0000
263	K	A	-0.6483
264	L	A	0.0000
265	E	A	-1.8448
266	L	A	-1.6467
267	K	A	-2.6357
268	R	A	-2.6259
269	A	A	-1.4539
270	A	A	-1.3613
271	A	A	-1.7162
272	E	A	-2.6666
273	Q	A	-2.2112
274	K	A	-1.7250
275	L	A	0.4361
276	I	A	0.4080
277	S	A	-1.0185
278	E	A	-2.5307
279	E	A	-3.2346
280	D	A	-2.6011
281	L	A	-0.8587
282	N	A	-1.8175