Project name: cc3dfc8a027316e

Chain sequence(s)	B: METVSITRVVTPELAGQLFRWGFSSSPSTEALEESARKNEEVFTLRLVPP
Selected Chain(s)	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)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B 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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -4.2203
• Maximal score value: 1.8159
• Average score: -0.6022
• Total score value: -30.1116

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	B	0.1955
2	E	B	-1.1349
3	T	B	-0.0112
4	V	B	1.0932
5	S	B	0.9192
6	I	B	1.6090
7	T	B	0.4445
8	R	B	-0.1067
9	V	B	1.4582
10	V	B	1.4500
11	T	B	0.0544
12	P	B	-0.8594
13	E	B	-1.7732
14	L	B	-0.7227
15	A	B	-0.5395
16	G	B	-1.0023
17	Q	B	-0.7271
18	L	B	1.5264
19	F	B	1.0037
20	R	B	-0.9463
21	W	B	-0.2462
22	G	B	-0.5126
23	F	B	1.4326
24	S	B	0.2551
25	S	B	0.1992
26	S	B	-0.1531
27	P	B	-0.4203
28	S	B	-1.0915
29	T	B	-1.5248
30	E	B	-2.7560
31	A	B	-1.7528
32	L	B	-1.2874
33	E	B	-3.5007
34	E	B	-3.8094
35	S	B	-2.4215
36	A	B	-2.6244
37	R	B	-4.2203
38	K	B	-3.8942
39	N	B	-3.1641
40	E	B	-3.2187
41	E	B	-2.4357
42	V	B	0.3506
43	F	B	1.8159
44	T	B	0.9512
45	L	B	0.0713
46	R	B	-0.7882
47	L	B	0.5125
48	V	B	1.5828
49	P	B	0.4358
50	P	B	0.1725