Project name: [e-mail]

Chain sequence(s)	A: MIPGGLSEAKPATPEIQEIVDKVKPQLEEKTNETYGKLEAVQYKTQVVAGTNYYIKVRAGDNKYMHLKVFKSLPGQNEDLVLTGYQVDKNKDDELTGF
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                                          (00:01:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:48)

• Minimal score value: -4.3685
• Maximal score value: 2.2145
• Average score: -1.2259
• Total score value: -120.1394

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
6	M	A	1.6203
7	I	A	2.0625
8	P	A	0.9602
9	G	A	0.6191
10	G	A	0.1977
11	L	A	-0.4632
12	S	A	-1.2902
13	E	A	-2.2797
14	A	A	-1.7994
15	K	A	-1.7739
16	P	A	-0.9925
17	A	A	-1.1690
18	T	A	-1.3863
19	P	A	-1.9622
20	E	A	-2.7682
21	I	A	0.0000
22	Q	A	-2.9334
23	E	A	-3.5527
24	I	A	0.0000
25	V	A	0.0000
26	D	A	-4.0447
27	K	A	-2.9387
28	V	A	0.0000
29	K	A	-2.9402
30	P	A	-2.6553
31	Q	A	-2.9454
32	L	A	0.0000
33	E	A	-3.9943
34	E	A	-4.3685
35	K	A	-3.7716
36	T	A	-2.7648
37	N	A	-3.5067
38	E	A	-3.0360
39	T	A	-1.6442
40	Y	A	-1.6794
43	G	A	-2.1102
44	K	A	-3.0146
45	L	A	0.0000
46	E	A	-2.8226
47	A	A	-1.7757
48	V	A	-0.6344
49	Q	A	-1.4076
50	Y	A	0.0000
51	K	A	0.0000
52	T	A	-0.4047
53	Q	A	0.4601
54	V	A	1.5997
55	V	A	2.2145
56	A	A	1.2207
57	G	A	1.0473
58	T	A	0.7796
59	N	A	0.5524
60	Y	A	0.0000
61	Y	A	0.0000
62	I	A	0.0000
63	K	A	0.0000
64	V	A	0.0000
65	R	A	-3.2227
66	A	A	-2.9405
67	G	A	-2.8030
68	D	A	-3.5660
92	N	A	-3.4811
93	K	A	-4.0349
94	Y	A	0.0000
95	M	A	0.0000
96	H	A	0.0000
97	L	A	0.0000
98	K	A	0.1840
99	V	A	0.0000
100	F	A	0.8831
101	K	A	-0.0994
102	S	A	-0.1430
102A	L	A	0.8682
103	P	A	-0.4040
104	G	A	-1.6872
105	Q	A	-2.5035
105A	N	A	-2.9600
106	E	A	-2.8509
107	D	A	-2.5081
108	L	A	-0.7239
109	V	A	0.8983
110	L	A	0.1156
111	T	A	0.5502
112	G	A	0.1178
113	Y	A	-0.2762
114	Q	A	-0.7944
115	V	A	-1.0772
115A	D	A	-2.6373
116	K	A	-3.2257
117	N	A	-4.2916
118	K	A	-4.0826
119	D	A	-3.7524
120	D	A	-3.4371
121	E	A	-3.1941
122	L	A	0.0000
123	T	A	-0.9955
124	G	A	-0.5157
125	F	A	-0.0524