Project name: 37447880ddefb1e

Chain sequence(s)	A: MLLELCGKYWGSEEELLELCE; B: MNDTWIFGEELLELLLEEAGDEGCTTDPDE
Selected Chain(s)	A,B
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)                                                   (00:00:01)
[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: -3.575
• Maximal score value: 1.3261
• Average score: -1.4856
• Total score value: -75.7668

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	-1.0933
2	L	A	0.0000
3	L	A	-1.3399
4	E	A	-2.1547
5	L	A	-0.6873
6	C	A	0.0000
7	G	A	-1.9504
8	K	A	-1.6452
9	Y	A	0.2677
10	W	A	-0.5133
11	G	A	-1.3625
12	S	A	-2.1301
13	E	A	-3.1268
14	E	A	-3.5750
15	E	A	-3.3345
16	L	A	0.0000
17	L	A	-1.9342
18	E	A	-3.0975
19	L	A	-1.2029
20	C	A	-0.9644
21	E	A	-1.9365
1	M	B	0.2061
2	N	B	-0.8475
3	D	B	-0.9440
4	T	B	0.3338
5	W	B	0.9982
6	I	B	1.2220
7	F	B	1.3261
8	G	B	0.0000
9	E	B	-0.3644
10	E	B	-1.1269
11	L	B	-0.1727
12	L	B	-0.8399
13	E	B	-2.4899
14	L	B	-1.3206
15	L	B	-1.1503
16	L	B	-1.8932
17	E	B	-3.0956
18	E	B	-3.1830
19	A	B	-2.3286
20	G	B	-3.1010
21	D	B	-3.5251
22	E	B	-2.9733
23	G	B	-1.5249
24	C	B	-1.8090
25	T	B	-1.9290
26	T	B	-1.5918
27	D	B	-2.8656
28	P	B	-2.5610
29	D	B	-3.2788
30	E	B	-3.1561