Project name: MFE23_1

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                                          (00:03:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:55)

• Minimal score value: -3.4456
• Maximal score value: 3.4727
• Average score: -0.5553
• Total score value: -156.5998

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	-1.1959
2	T	A	0.5497
3	V	A	2.3391
4	I	A	2.8620
5	M	A	2.1706
6	K	A	0.7780
7	Y	A	2.1157
8	L	A	2.5319
9	L	A	2.3051
10	P	A	1.0211
11	T	A	0.4594
12	A	A	0.1315
13	A	A	0.1323
14	A	A	0.5014
15	G	A	0.9888
16	L	A	2.7421
17	L	A	3.3883
18	L	A	3.4727
19	L	A	2.8324
20	A	A	1.1594
21	A	A	0.1275
22	Q	A	-0.8631
23	P	A	-0.4664
24	A	A	-0.0571
25	M	A	0.5216
26	A	A	-0.2213
27	Q	A	-1.1535
28	V	A	-0.9013
29	K	A	-2.0643
30	L	A	0.0000
31	Q	A	-1.9641
32	Q	A	0.0000
33	S	A	-0.9840
34	G	A	-0.9551
35	A	A	-0.2167
36	E	A	-0.3177
37	L	A	0.8307
38	V	A	-0.3704
39	R	A	-1.8623
40	S	A	-1.7932
41	G	A	-1.2295
42	T	A	-0.9110
43	S	A	-1.0480
44	V	A	0.0000
45	K	A	-1.8087
46	L	A	0.0000
47	S	A	-0.6492
48	C	A	0.0000
49	T	A	-0.8983
50	A	A	0.0000
51	S	A	-1.3245
52	G	A	-0.8705
53	F	A	-1.1505
54	N	A	-1.8601
55	I	A	0.0000
56	K	A	-2.9162
57	D	A	-2.7630
58	S	A	0.0000
59	Y	A	-0.9010
60	M	A	0.0000
61	H	A	0.0000
62	W	A	0.0000
63	L	A	0.0000
64	R	A	-0.4366
65	Q	A	-0.9470
66	G	A	-1.4890
67	P	A	-1.7205
68	E	A	-2.5670
69	Q	A	-2.3212
70	G	A	-1.2079
71	L	A	0.0000
72	E	A	-0.6499
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	-3.4456
81	N	A	-3.0214
82	G	A	-2.5029
83	D	A	-2.8125
84	T	A	-1.4206
85	E	A	-1.0088
86	Y	A	-0.7697
87	A	A	0.0000
88	P	A	-1.9877
89	K	A	-2.4855
90	F	A	0.0000
91	Q	A	-2.1008
92	G	A	-1.4830
93	K	A	-1.3900
94	A	A	0.0000
95	T	A	-0.7518
96	F	A	0.0000
97	T	A	-0.4969
98	T	A	-0.7926
99	D	A	-0.9298
100	T	A	-1.2286
101	S	A	-0.7114
102	S	A	-0.7305
103	N	A	-0.9381
104	T	A	0.0000
105	A	A	0.0000
106	Y	A	-0.4153
107	L	A	0.0000
108	Q	A	-1.2801
109	L	A	0.0000
110	S	A	-0.8809
111	S	A	-0.8448
112	L	A	0.0000
113	T	A	-1.4239
114	S	A	-1.5042
115	E	A	-1.9823
116	D	A	0.0000
117	T	A	-0.6098
118	A	A	0.0000
119	V	A	0.1043
120	Y	A	0.0000
121	Y	A	0.0000
122	C	A	0.0000
123	N	A	0.0000
124	E	A	-0.3167
125	G	A	0.0000
126	T	A	-0.2234
127	P	A	-0.2870
128	T	A	-0.0660
129	G	A	0.1288
130	P	A	0.3700
131	Y	A	1.0157
132	Y	A	0.0000
133	F	A	0.0000
134	D	A	-0.4980
135	Y	A	-0.3814
136	W	A	-0.8784
137	G	A	0.0000
138	Q	A	-1.6785
139	G	A	-0.8496
140	T	A	0.0000
141	T	A	-0.1029
142	V	A	0.0000
143	T	A	-0.1607
144	V	A	0.0000
145	S	A	-0.7871
146	S	A	-1.1945
147	G	A	-1.3527
148	G	A	-1.1843
149	G	A	-1.1083
150	G	A	-1.1995
151	S	A	-0.9838
152	G	A	-1.1583
153	G	A	-1.1676
154	G	A	-1.1837
155	G	A	-1.4259
156	S	A	-1.3142
157	G	A	-1.5518
158	G	A	-1.6520
159	G	A	-1.3574
160	G	A	-1.3411
161	S	A	-1.0349
162	E	A	-1.1345
163	N	A	-0.1211
164	V	A	1.2285
165	L	A	0.0000
166	T	A	0.2312
167	Q	A	0.0000
168	S	A	-0.0870
169	P	A	0.1978
170	A	A	0.4745
171	I	A	1.0180
172	M	A	0.0097
173	S	A	-1.2706
174	A	A	0.0000
175	S	A	-2.1828
176	P	A	-2.0761
177	G	A	-2.3715
178	E	A	-3.2763
179	K	A	-3.3472
180	V	A	0.0000
181	T	A	-0.4891
182	I	A	0.0000
183	T	A	-0.2640
184	C	A	0.0000
185	S	A	-0.1795
186	A	A	0.0000
187	S	A	-0.1043
188	S	A	-0.4117
189	S	A	-0.4877
190	V	A	0.0000
191	S	A	-0.0116
192	Y	A	0.6105
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	-1.6162
200	P	A	-0.8602
201	G	A	-0.9597
202	T	A	-1.0828
203	S	A	-0.9706
204	P	A	0.0000
205	K	A	-1.7999
206	L	A	0.0000
207	W	A	-0.4654
208	I	A	0.0000
209	Y	A	0.2995
210	S	A	0.2188
211	T	A	-0.1612
212	S	A	-0.4618
213	N	A	-0.6317
214	L	A	0.0257
215	A	A	-0.2034
216	S	A	-0.4312
217	G	A	-0.4007
218	V	A	-0.1057
219	P	A	-0.1210
220	A	A	-0.1027
221	R	A	-1.1368
222	F	A	0.0000
223	S	A	-0.3727
224	G	A	0.0000
225	S	A	-0.6509
226	G	A	-0.6152
227	S	A	-0.5293
228	G	A	-0.5231
229	T	A	-0.5941
230	S	A	-0.6031
231	Y	A	0.0000
232	S	A	-0.3605
233	L	A	0.0000
234	T	A	-0.7918
235	I	A	0.0000
236	S	A	-2.2392
237	R	A	-3.4426
238	M	A	0.0000
239	E	A	-2.4190
240	A	A	-1.5869
241	E	A	-2.2701
242	D	A	0.0000
243	A	A	-1.6887
244	A	A	0.0000
245	T	A	-0.8823
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	-0.0107
252	S	A	-0.0623
253	S	A	-0.1582
254	Y	A	0.1052
255	P	A	-0.2322
256	L	A	0.0000
257	T	A	0.0000
258	F	A	0.3512
259	G	A	0.0000
260	A	A	-0.6468
261	G	A	0.0000
262	T	A	0.0000
263	K	A	-1.3621
264	L	A	0.0000
265	E	A	-2.0728
266	L	A	-1.6850
267	K	A	-2.6610
268	R	A	-3.2923
269	A	A	-2.0518
270	A	A	-1.7104
271	A	A	-1.3780
272	E	A	-2.3343
273	Q	A	-2.3740
274	K	A	-2.1692
275	L	A	-0.5074
276	I	A	-0.0682
277	S	A	-1.5954
278	E	A	-2.5446
279	E	A	-2.6902
280	D	A	-2.2536
281	L	A	-0.8665
282	N	A	-1.8828