Project name: istop

Chain sequence(s)	A: GTNLSVPNPLGFFPDHGGGGGGGGGGGGGGGGGGGGGGGGGDANKVG
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)

• Minimal score value: -2.9655
• Maximal score value: 2.526
• Average score: -0.9305
• Total score value: -43.7344

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	-0.6567
2	T	A	-0.8928
3	N	A	-0.9418
4	L	A	0.7772
5	S	A	-0.0367
6	V	A	0.8956
7	P	A	0.3868
8	N	A	-0.0840
9	P	A	0.4488
10	L	A	1.6817
11	G	A	1.1247
12	F	A	2.5260
13	F	A	1.9830
14	P	A	-0.0990
15	D	A	-1.8367
16	H	A	-0.6371
17	G	A	-0.7395
18	G	A	-1.0787
19	G	A	-1.2540
20	G	A	-1.8169
21	G	A	-1.5386
22	G	A	-1.4633
23	G	A	-1.5759
24	G	A	-2.0904
25	G	A	-1.5942
26	G	A	-1.4181
27	G	A	-1.5592
28	G	A	-1.8105
29	G	A	-2.2360
30	G	A	-1.6265
31	G	A	-1.0584
32	G	A	-1.3616
33	G	A	-1.6123
34	G	A	-1.7773
35	G	A	-1.3284
36	G	A	-1.3027
37	G	A	-1.4300
38	G	A	-1.3494
39	G	A	-1.4397
40	G	A	-1.7244
41	G	A	-2.1807
42	D	A	-2.9655
43	A	A	-2.0874
44	N	A	-2.4030
45	K	A	-2.2514
46	V	A	0.1277
47	G	A	-0.4271