Project name: ac4d4d1a5d324ba

Chain sequence(s)	A: SAVKALFDYKAQREDELTFTKSAIIQNVEKQDGGWWRGDYGGKKQLWFPSNYVEE; P: QPPVPPQRPM
Selected Chain(s)	A,P
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 all 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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -3.6401
• Maximal score value: 1.1699
• Average score: -1.3027
• Total score value: -84.6775

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
5	S	A	-1.6279
6	A	A	-1.5233
7	V	A	0.0000
8	K	A	-2.2094
9	A	A	0.0000
10	L	A	-1.3687
11	F	A	-1.8040
12	D	A	-2.7488
13	Y	A	0.0000
14	K	A	-2.6149
15	A	A	-2.3405
16	Q	A	-2.8886
17	R	A	-3.6401
18	E	A	-3.1294
19	D	A	-2.3220
20	E	A	0.0000
21	L	A	0.0000
22	T	A	-1.2318
23	F	A	0.0000
24	T	A	-1.8619
25	K	A	-2.3377
26	S	A	-1.4300
27	A	A	0.0000
28	I	A	-0.0069
29	I	A	0.0000
30	Q	A	-1.7964
31	N	A	-2.6345
32	V	A	-2.3723
33	E	A	-3.1362
34	K	A	-3.3580
35	Q	A	-2.6883
36	D	A	-2.5899
37	G	A	-1.8800
38	G	A	-1.4605
39	W	A	0.0000
40	W	A	-1.7193
41	R	A	-2.0171
42	G	A	0.0000
43	D	A	-1.8634
44	Y	A	-0.8429
45	G	A	-0.8809
46	G	A	-1.3496
47	K	A	-1.8345
48	K	A	-2.6339
49	Q	A	-1.9477
50	L	A	-1.1715
51	W	A	-0.9721
52	F	A	0.0000
53	P	A	0.0000
54	S	A	-1.2308
55	N	A	-0.6838
56	Y	A	0.0000
57	V	A	0.0000
58	E	A	-3.0358
59	E	A	-2.9297
1	Q	P	-1.0766
2	P	P	-0.6617
3	P	P	0.2761
4	V	P	1.1699
5	P	P	0.1379
6	P	P	-0.5856
7	Q	P	-1.1703
8	R	P	-1.1439
9	P	P	-0.2260
10	M	P	0.7177