Project name: MFE23_3

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                                          (00:03:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:53)

• Minimal score value: -3.4956
• Maximal score value: 3.4589
• Average score: -0.536
• Total score value: -151.1605

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	-1.2093
2	T	A	0.5301
3	V	A	2.3452
4	I	A	2.8855
5	M	A	2.1596
6	K	A	0.7211
7	Y	A	2.0971
8	L	A	2.5444
9	L	A	2.3080
10	P	A	0.9998
11	T	A	0.4254
12	A	A	0.1332
13	A	A	0.1301
14	A	A	0.4827
15	G	A	0.9605
16	L	A	2.7209
17	L	A	3.3798
18	L	A	3.4589
19	L	A	2.8161
20	A	A	1.1377
21	A	A	0.1106
22	Q	A	-0.8695
23	P	A	-0.4680
24	A	A	-0.0570
25	M	A	0.4990
26	A	A	-0.2553
27	Q	A	-1.2071
28	V	A	-1.0051
29	K	A	-2.0351
30	L	A	0.0000
31	Q	A	-1.9559
32	Q	A	0.0000
33	S	A	-1.1350
34	G	A	-1.1681
35	A	A	-0.9461
36	E	A	-1.1436
37	L	A	0.2800
38	V	A	-0.5259
39	R	A	-1.8472
40	S	A	-1.6465
41	G	A	-1.2426
42	T	A	-0.9193
43	S	A	-1.0901
44	V	A	0.0000
45	K	A	-1.8839
46	L	A	0.0000
47	S	A	-0.7054
48	C	A	0.0000
49	T	A	-0.8932
50	A	A	0.0000
51	S	A	-1.3495
52	G	A	-0.9006
53	F	A	-1.1278
54	N	A	-1.8438
55	I	A	0.0000
56	K	A	-2.5398
57	D	A	-2.6130
58	S	A	0.0000
59	Y	A	-0.7052
60	M	A	0.0000
61	H	A	0.0000
62	W	A	0.0000
63	L	A	0.0000
64	R	A	0.0000
65	Q	A	-0.8152
66	G	A	0.0000
67	P	A	-1.6892
68	E	A	-2.5495
69	Q	A	-2.2701
70	G	A	-1.1567
71	L	A	0.0000
72	E	A	-0.5604
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	-3.3136
81	N	A	-2.9704
82	G	A	-2.4555
83	D	A	-2.8276
84	T	A	-1.4616
85	E	A	-1.1200
86	Y	A	-0.8092
87	A	A	0.0000
88	P	A	-1.9664
89	K	A	-2.4846
90	F	A	0.0000
91	Q	A	-2.1336
92	G	A	-1.4855
93	K	A	-1.3957
94	A	A	0.0000
95	T	A	-0.8380
96	F	A	0.0000
97	T	A	-0.5118
98	T	A	-0.7561
99	D	A	-0.8456
100	T	A	-1.1666
101	S	A	-0.7132
102	S	A	-0.7348
103	N	A	-0.9089
104	T	A	0.0000
105	A	A	0.0000
106	Y	A	-0.4577
107	L	A	0.0000
108	Q	A	-1.3300
109	L	A	0.0000
110	S	A	-0.9016
111	S	A	-0.8478
112	L	A	0.0000
113	T	A	-1.4368
114	S	A	-1.4969
115	E	A	-1.9720
116	D	A	0.0000
117	T	A	-0.6666
118	A	A	0.0000
119	V	A	-0.0080
120	Y	A	0.0000
121	Y	A	0.0000
122	C	A	0.0000
123	N	A	0.0000
124	E	A	0.0000
125	G	A	0.0000
126	T	A	-0.2419
127	P	A	-0.3393
128	T	A	-0.3767
129	G	A	-0.2144
130	P	A	0.1926
131	Y	A	0.6508
132	Y	A	0.6809
133	F	A	0.0000
134	D	A	-0.1713
135	Y	A	-0.1870
136	W	A	-0.6686
137	G	A	0.0000
138	Q	A	-1.6439
139	G	A	-0.8581
140	T	A	0.0000
141	T	A	-0.4550
142	V	A	0.0000
143	T	A	-0.4610
144	V	A	0.0000
145	S	A	-0.7497
146	S	A	-1.1972
147	G	A	-1.3688
148	G	A	-1.2020
149	G	A	-1.1114
150	G	A	-1.2116
151	S	A	-0.9969
152	G	A	-1.1751
153	G	A	-1.2017
154	G	A	-1.2045
155	G	A	-1.4399
156	S	A	-1.2312
157	G	A	-1.5576
158	G	A	-1.4734
159	G	A	-1.4698
160	G	A	-1.5524
161	S	A	-1.3161
162	E	A	-1.6865
163	N	A	-0.5483
164	V	A	0.6948
165	L	A	0.0000
166	T	A	0.1412
167	Q	A	0.0000
168	S	A	-0.0103
169	P	A	0.3186
170	A	A	0.6651
171	I	A	1.3404
172	M	A	0.2590
173	S	A	-0.9388
174	A	A	0.0000
175	S	A	-2.1323
176	P	A	-2.0886
177	G	A	-2.4219
178	E	A	-3.2101
179	K	A	-3.3386
180	V	A	0.0000
181	T	A	-0.4797
182	I	A	0.0000
183	T	A	-0.2713
184	C	A	0.0000
185	S	A	-0.2472
186	A	A	0.0000
187	S	A	-0.3130
188	S	A	-0.5538
189	S	A	-0.5231
190	V	A	0.0000
191	S	A	-0.1233
192	Y	A	0.5039
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	-1.4861
200	P	A	-0.8681
201	G	A	-0.9687
202	T	A	-1.0084
203	S	A	-0.8209
204	P	A	0.0000
205	K	A	-1.0984
206	L	A	0.0000
207	W	A	-0.1873
208	I	A	0.0000
209	Y	A	0.4874
210	S	A	0.2360
211	T	A	-0.1576
212	S	A	-0.4630
213	N	A	-0.6090
214	L	A	0.0524
215	A	A	0.0000
216	S	A	-0.4070
217	G	A	-0.4013
218	V	A	-0.1447
219	P	A	-0.2015
220	A	A	-0.1962
221	R	A	-1.3359
222	F	A	0.0000
223	S	A	-0.4087
224	G	A	0.0000
225	S	A	-0.6720
226	G	A	-0.6650
227	S	A	-0.5736
228	G	A	-0.5565
229	T	A	-0.6055
230	S	A	-0.6251
231	Y	A	0.0000
232	S	A	-0.3737
233	L	A	0.0000
234	T	A	-0.8058
235	I	A	0.0000
236	S	A	-2.2746
237	R	A	-3.4956
238	M	A	0.0000
239	E	A	-2.5704
240	A	A	-1.6314
241	E	A	-2.2956
242	D	A	0.0000
243	A	A	-1.5418
244	A	A	0.0000
245	T	A	-0.6218
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	0.1002
252	S	A	-0.1171
253	S	A	-0.3048
254	Y	A	0.0764
255	P	A	-0.2414
256	L	A	0.0000
257	T	A	0.0481
258	F	A	0.2934
259	G	A	0.0000
260	A	A	-0.5996
261	G	A	0.0000
262	T	A	0.0000
263	K	A	-0.7455
264	L	A	0.0000
265	E	A	-1.7354
266	L	A	-1.5224
267	K	A	-2.5664
268	R	A	-2.5888
269	A	A	-1.4279
270	A	A	-1.3701
271	A	A	-1.7019
272	E	A	-2.6733
273	Q	A	-2.1323
274	K	A	-1.5529
275	L	A	0.7510
276	I	A	1.0727
277	S	A	-0.6944
278	E	A	-2.3782
279	E	A	-3.1176
280	D	A	-2.4878
281	L	A	-0.7728
282	N	A	-1.7399