Project name: seq51

Chain sequence(s)	A: MLLELCGLCWGSEEELLELADMNDTWIFGEELLELLLEECGEEGWTTDPDE
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                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)

• Minimal score value: -3.7396
• Maximal score value: 1.8994
• Average score: -1.1602
• Total score value: -59.1711

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	M	A	1.2870
2	L	A	1.5714
3	L	A	0.5762
4	E	A	-0.7484
5	L	A	0.8424
6	C	A	1.1329
7	G	A	-0.1547
8	L	A	1.6289
9	C	A	1.8008
10	W	A	1.1203
11	G	A	-0.6369
12	S	A	-2.0607
13	E	A	-3.2465
14	E	A	-3.7396
15	E	A	-3.6374
16	L	A	0.0000
17	L	A	-1.7402
18	E	A	-2.9684
19	L	A	-1.5124
20	A	A	-1.3714
21	D	A	-2.3584
22	M	A	-0.5478
23	N	A	-0.6539
24	D	A	-1.4792
25	T	A	0.0252
26	W	A	1.4496
27	I	A	1.8994
28	F	A	0.3525
29	G	A	-0.9821
30	E	A	-2.2765
31	E	A	-2.0854
32	L	A	-0.6518
33	L	A	-1.1873
34	E	A	-2.4500
35	L	A	-0.9713
36	L	A	-0.5646
37	L	A	-0.8279
38	E	A	-2.9733
39	E	A	-3.1615
40	C	A	-1.7155
41	G	A	-2.6030
42	E	A	-3.7286
43	E	A	-3.3372
44	G	A	-1.4398
45	W	A	-0.6471
46	T	A	-1.2725
47	T	A	-1.2528
48	D	A	-2.8912
49	P	A	-2.4611
50	D	A	-3.3610
51	E	A	-3.1603