Project name: Linker3

Chain sequence(s)	A: GCGNLSTCLLGTYTQDAHKLQTYPRTNTGSGTPGGGGSGGGGSGGGGSLAEAKVLANRELDKYGVSDYYKNLINNAKTVEGVKALIDEILAALP
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -3.3701
• Maximal score value: 2.6362
• Average score: -0.8414
• Total score value: -79.087

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	G	A	-0.3669
2	C	A	0.1820
3	G	A	-0.5480
4	N	A	-0.7028
5	L	A	0.8859
6	S	A	0.5808
7	T	A	1.1602
8	C	A	1.8907
9	L	A	2.6362
10	L	A	2.5534
11	G	A	1.0893
12	T	A	0.7109
13	Y	A	1.0084
14	T	A	-0.5414
15	Q	A	-2.1432
16	D	A	-2.3778
17	A	A	-1.7394
18	H	A	-2.5258
19	K	A	-2.3057
20	L	A	-0.1501
21	Q	A	-0.9616
22	T	A	-0.2346
23	Y	A	0.6116
24	P	A	-0.9177
25	R	A	-2.0229
26	T	A	-1.6671
27	N	A	-2.0281
28	T	A	-1.2657
29	G	A	-1.0480
30	S	A	-0.8467
31	G	A	-0.8187
32	T	A	-0.6376
33	P	A	-0.7623
34	G	A	-1.0406
35	G	A	-1.1085
36	G	A	-1.1655
37	G	A	-1.1763
38	S	A	-1.0389
39	G	A	-1.4110
40	G	A	-1.2172
41	G	A	-1.2177
42	G	A	-0.9800
43	S	A	-0.9027
44	G	A	-1.1464
45	G	A	-1.3119
46	G	A	-1.2562
47	G	A	-0.9816
48	S	A	-0.6875
49	L	A	-0.6300
50	A	A	-0.2910
51	E	A	-0.4631
52	A	A	0.0000
53	K	A	-0.5314
54	V	A	1.1485
55	L	A	0.7388
56	A	A	0.0000
57	N	A	-1.6900
58	R	A	-2.2137
59	E	A	-1.8540
60	L	A	0.0000
61	D	A	-3.3701
62	K	A	-2.7341
63	Y	A	-0.6091
64	G	A	-1.3083
65	V	A	-0.6701
66	S	A	-0.8908
67	D	A	-1.7845
68	Y	A	0.1808
69	Y	A	-0.1295
70	K	A	-1.7251
71	N	A	-1.9932
72	L	A	-0.8367
73	I	A	0.0000
74	N	A	-2.2671
75	N	A	-2.5648
76	A	A	-2.1211
77	K	A	-2.3279
78	T	A	-1.5409
79	V	A	-1.2689
80	E	A	-2.2109
81	G	A	-1.5999
82	V	A	0.0000
83	K	A	-2.2597
84	A	A	-1.9152
85	L	A	-1.3272
86	I	A	0.0000
87	D	A	-2.6976
88	E	A	-2.4915
89	I	A	0.0000
90	L	A	-0.4434
91	A	A	-0.7080
92	A	A	-0.3311
93	L	A	0.5231
94	P	A	0.0664