Project name: Linker1

Chain sequence(s)	A: GCGNLSTCLLGTYTQDAHKLQTYPRTNTGSGTPGGGGSLAEAKVLANRELDKYGVSDYYKNLINNAKTVEGVKALIDEILAALP
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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -3.3254
• Maximal score value: 2.6139
• Average score: -0.9167
• Total score value: -77.001

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	-0.3756
2	C	A	0.1636
3	G	A	-0.5368
4	N	A	-0.6878
5	L	A	0.8662
6	S	A	0.4978
7	T	A	0.8918
8	C	A	1.8637
9	L	A	2.6139
10	L	A	2.4092
11	G	A	1.1766
12	T	A	0.5431
13	Y	A	0.7630
14	T	A	-0.4578
15	Q	A	-2.0752
16	D	A	-2.6178
17	A	A	-1.6264
18	H	A	-2.5406
19	K	A	-2.6993
20	L	A	-0.7839
21	Q	A	-1.5796
22	T	A	-1.0581
23	Y	A	-0.6548
24	P	A	-1.2619
25	R	A	-2.2535
26	T	A	-1.8389
27	N	A	-2.0030
28	T	A	-1.3236
29	G	A	-1.0310
30	S	A	-0.8848
31	G	A	-0.9125
32	T	A	-0.7245
33	P	A	-0.8271
34	G	A	-1.1144
35	G	A	-1.0252
36	G	A	-1.0533
37	G	A	-1.0358
38	S	A	-0.5055
39	L	A	-0.4788
40	A	A	-0.4845
41	E	A	-0.3244
42	A	A	0.0000
43	K	A	-1.1157
44	V	A	-0.2065
45	L	A	-0.5189
46	A	A	0.0000
47	N	A	-2.1091
48	R	A	-2.4422
49	E	A	-2.2667
50	L	A	0.0000
51	D	A	-3.3254
52	K	A	-2.6240
53	Y	A	-0.4738
54	G	A	-1.3935
55	V	A	-0.6804
56	S	A	-0.8903
57	D	A	-1.8377
58	Y	A	0.0178
59	Y	A	-0.2921
60	K	A	-1.9219
61	N	A	-2.0571
62	L	A	-0.8643
63	I	A	0.0000
64	N	A	-2.3492
65	N	A	-2.5465
66	A	A	-2.0771
67	K	A	-2.3067
68	T	A	-1.4016
69	V	A	-1.0440
70	E	A	-2.0697
71	G	A	-1.6864
72	V	A	0.0000
73	K	A	-2.1625
74	A	A	-1.8406
75	L	A	-1.2707
76	I	A	0.0000
77	D	A	-2.6834
78	E	A	-2.4834
79	I	A	0.0000
80	L	A	-0.4945
81	A	A	-0.7289
82	A	A	-0.3715
83	L	A	0.4778
84	P	A	0.0272