Project name: Linker2

Chain sequence(s)	A: GCGNLSTCLLGTYTQDAHKLQTYPRTNTGSGTPGGGGSGGGGSLAEAKVLANRELDKYGVSDYYKNLINNAKTVEGVKALIDEILAALP
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.376
• Maximal score value: 2.6376
• Average score: -0.9016
• Total score value: -80.2407

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	-0.3727
2	C	A	0.1746
3	G	A	-0.4600
4	N	A	-0.6972
5	L	A	0.7808
6	S	A	0.4615
7	T	A	1.0656
8	C	A	1.7424
9	L	A	2.6376
10	L	A	2.5607
11	G	A	1.0565
12	T	A	0.5309
13	Y	A	0.9271
14	T	A	-0.6181
15	Q	A	-2.2192
16	D	A	-2.7443
17	A	A	-2.0338
18	H	A	-2.7595
19	K	A	-2.6152
20	L	A	-0.9746
21	Q	A	-1.8597
22	T	A	-0.8957
23	Y	A	-0.4634
24	P	A	-1.2420
25	R	A	-2.3572
26	T	A	-1.6587
27	N	A	-2.0514
28	T	A	-1.2879
29	G	A	-1.0495
30	S	A	-0.8664
31	G	A	-0.8245
32	T	A	-0.6976
33	P	A	-0.7892
34	G	A	-1.0511
35	G	A	-1.2343
36	G	A	-1.1763
37	G	A	-1.1664
38	S	A	-1.0074
39	G	A	-1.1750
40	G	A	-1.1348
41	G	A	-1.0597
42	G	A	-0.6027
43	S	A	-0.4069
44	L	A	-0.5358
45	A	A	-0.1909
46	E	A	0.0208
47	A	A	0.0000
48	K	A	-0.8893
49	V	A	0.1712
50	L	A	0.3681
51	A	A	0.0000
52	N	A	-1.9509
53	R	A	-2.4114
54	E	A	-2.2989
55	L	A	0.0000
56	D	A	-3.3760
57	K	A	-2.7744
58	Y	A	-0.6379
59	G	A	-1.3275
60	V	A	-0.6698
61	S	A	-0.8548
62	D	A	-1.7383
63	Y	A	0.2377
64	Y	A	-0.0241
65	K	A	-1.7315
66	N	A	-1.9243
67	L	A	-0.7404
68	I	A	0.0000
69	N	A	-2.3962
70	N	A	-2.5334
71	A	A	-2.0857
72	K	A	-2.3127
73	T	A	-1.4794
74	V	A	-1.0868
75	E	A	-2.1738
76	G	A	-1.7386
77	V	A	0.0000
78	K	A	-2.1963
79	A	A	-1.8908
80	L	A	-1.2730
81	I	A	0.0000
82	D	A	-2.6951
83	E	A	-2.4838
84	I	A	0.0000
85	L	A	-0.4655
86	A	A	-0.7164
87	A	A	-0.3523
88	L	A	0.4869
89	P	A	0.0453