Project name: 678b207d1326225

Chain sequence(s)	A: AETVESCLAKPHTEGSFTNVWKEGDSRYANYEGCLWMAGGVVVCTGDETQCYGHWVPIGMAIPENEGGGSEGGGSEGGGSEGGGTKPPEYGDTPIPGTTWINPLDGTYPPGTEQNPANPNPSLEESQPLNTFMVQGNRFANRQGALTVYTGSFTQGTDPVKPYYLYTPGSSRAMYDAYWNGKFRDCAFHSGFNEDPFVCEYQGQSSDLPQPPANA
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:15)

• Minimal score value: -3.363
• Maximal score value: 2.4186
• Average score: -0.882
• Total score value: -189.6248

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	A	A	-1.6793
2	E	A	-2.2599
3	T	A	-1.2602
4	V	A	-0.7015
5	E	A	-1.9617
6	S	A	-1.3631
7	C	A	0.0000
8	L	A	-0.9354
9	A	A	-1.0439
10	K	A	-1.3767
11	P	A	-0.9513
12	H	A	-1.3448
13	T	A	-1.5278
14	E	A	-2.0453
15	G	A	-0.8317
16	S	A	-0.0713
17	F	A	0.0000
18	T	A	-0.9653
19	N	A	-1.6085
20	V	A	0.0000
21	W	A	-1.3599
22	K	A	-2.1771
23	E	A	0.0000
24	G	A	-2.0469
25	D	A	-2.2560
26	S	A	0.0000
27	R	A	-1.3451
28	Y	A	0.0000
29	A	A	0.0000
30	N	A	-0.7333
31	Y	A	-0.6628
32	E	A	-1.9521
33	G	A	-1.4087
34	C	A	0.0000
35	L	A	0.0000
36	W	A	0.0000
37	M	A	-0.1382
38	A	A	-0.2993
39	G	A	-0.1717
40	G	A	0.4804
41	V	A	2.1964
42	V	A	2.1532
43	V	A	2.4186
44	C	A	0.5020
45	T	A	-0.8826
46	G	A	-1.6025
47	D	A	-2.6850
48	E	A	-2.5405
49	T	A	-2.1618
50	Q	A	-1.2767
51	C	A	0.0000
52	Y	A	1.2409
53	G	A	0.0000
54	H	A	-0.9329
55	W	A	0.0000
56	V	A	-0.6201
57	P	A	0.0000
58	I	A	0.0000
59	G	A	0.0000
60	M	A	-0.4245
61	A	A	-0.6425
62	I	A	0.0000
63	P	A	-2.1305
64	E	A	-3.3630
65	N	A	-3.3390
66	E	A	-3.2999
67	G	A	-2.3831
68	G	A	-2.3660
69	G	A	-2.0837
70	S	A	-1.6826
71	E	A	-2.9424
72	G	A	-2.8064
73	G	A	-2.0992
74	G	A	-1.3993
75	S	A	-1.6077
76	E	A	-3.0632
77	G	A	-2.6059
78	G	A	-2.5412
79	G	A	-2.1362
80	S	A	-1.9096
81	E	A	-2.9007
82	G	A	-2.7554
83	G	A	-2.2162
84	G	A	-2.2203
85	T	A	-2.0052
86	K	A	-2.7235
87	P	A	-1.7877
88	P	A	-1.5767
89	E	A	-2.6819
90	Y	A	-1.7637
91	G	A	-1.8877
92	D	A	-2.0808
93	T	A	-0.9301
94	P	A	0.4544
95	I	A	1.5163
96	P	A	0.3441
97	G	A	-0.2918
98	T	A	0.1629
99	T	A	-0.1276
100	W	A	-0.2818
101	I	A	0.0000
102	N	A	0.0000
103	P	A	0.0000
104	L	A	0.0428
105	D	A	-1.1681
106	G	A	0.0000
107	T	A	-0.6963
108	Y	A	-0.9420
109	P	A	0.0000
110	P	A	-0.5358
111	G	A	-0.9792
112	T	A	-1.3755
113	E	A	-2.6073
114	Q	A	-2.8349
115	N	A	-2.8330
116	P	A	-1.9174
117	A	A	-1.4329
118	N	A	-2.4506
119	P	A	-2.4325
120	N	A	-2.3351
121	P	A	-2.0464
122	S	A	-1.3835
123	L	A	-1.3334
124	E	A	-2.0904
125	E	A	-2.1612
126	S	A	-1.5192
127	Q	A	0.0000
128	P	A	-1.0254
129	L	A	0.0464
130	N	A	0.0000
131	T	A	0.0000
132	F	A	0.0000
133	M	A	-0.4140
134	V	A	0.0000
135	Q	A	-0.2983
136	G	A	-0.6834
137	N	A	-0.6776
138	R	A	0.0000
139	F	A	0.0000
140	A	A	0.0000
141	N	A	0.0000
142	R	A	-0.5683
143	Q	A	-1.0727
144	G	A	-1.0392
145	A	A	-0.1423
146	L	A	0.0000
147	T	A	0.0000
148	V	A	0.0000
149	Y	A	0.2650
150	T	A	-0.2991
151	G	A	-0.3033
152	S	A	-0.3331
153	F	A	-0.2924
154	T	A	-1.0746
155	Q	A	-1.8084
156	G	A	-1.5564
157	T	A	-1.4749
158	D	A	-2.2374
159	P	A	-1.2487
160	V	A	-0.2532
161	K	A	-0.0426
162	P	A	0.1099
163	Y	A	0.6291
164	Y	A	0.0000
165	L	A	0.0773
166	Y	A	0.0000
167	T	A	0.0000
168	P	A	-0.6067
169	G	A	-0.5916
170	S	A	-0.7371
171	S	A	0.0000
172	R	A	0.0000
173	A	A	0.0000
174	M	A	0.0000
175	Y	A	0.3151
176	D	A	0.0000
177	A	A	0.0000
178	Y	A	0.2881
179	W	A	0.9242
180	N	A	0.0799
181	G	A	-0.8626
182	K	A	0.0000
183	F	A	0.0000
184	R	A	-3.1740
185	D	A	-2.9223
186	C	A	-1.4631
187	A	A	-0.6142
188	F	A	-0.1911
189	H	A	-0.7977
190	S	A	-0.5988
191	G	A	-0.2115
192	F	A	0.8964
193	N	A	-0.7586
194	E	A	-0.7961
195	D	A	0.0000
196	P	A	0.0000
197	F	A	0.0000
198	V	A	-0.2399
199	C	A	0.0000
200	E	A	-2.1170
201	Y	A	0.0000
202	Q	A	-2.3010
203	G	A	-1.6480
204	Q	A	-1.1922
205	S	A	-0.9760
206	S	A	-0.7975
207	D	A	0.0000
208	L	A	0.0000
209	P	A	-0.7569
210	Q	A	-1.3670
211	P	A	-1.1944
212	P	A	-0.9109
213	A	A	-0.9458
214	N	A	-1.2725
215	A	A	-0.5658