Project name: 47_rank

Chain sequence(s)	B: STEGLTFHTPQEVIDFVMKEAGLHRHEVEYLLFQHPELTYTEKARYIVEQYAPP
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.2241
• Maximal score value: 1.1953
• Average score: -1.1699
• Total score value: -63.175

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	S	B	-1.2095
2	T	B	-1.6032
3	E	B	-2.0619
4	G	B	-1.0282
5	L	B	-0.3454
6	T	B	-0.4644
7	F	B	0.0000
8	H	B	-1.2665
9	T	B	-1.2339
10	P	B	-1.4393
11	Q	B	-2.1619
12	E	B	-2.1907
13	V	B	0.0000
14	I	B	-2.1241
15	D	B	-2.4451
16	F	B	-1.7366
17	V	B	0.0000
18	M	B	-2.0945
19	K	B	-2.5937
20	E	B	-2.2320
21	A	B	0.0000
22	G	B	-1.4796
23	L	B	-1.8001
24	H	B	-2.6228
25	R	B	-3.2241
26	H	B	-2.5874
27	E	B	-2.3680
28	V	B	0.0000
29	E	B	-0.9094
30	Y	B	0.2567
31	L	B	0.0000
32	L	B	0.0000
33	F	B	1.1953
34	Q	B	-0.3692
35	H	B	-0.7189
36	P	B	-0.9542
37	E	B	-1.9657
38	L	B	-0.9829
39	T	B	-0.7873
40	Y	B	-0.5579
41	T	B	-0.9118
42	E	B	-1.3448
43	K	B	-0.7584
44	A	B	0.0000
45	R	B	-2.1940
46	Y	B	-1.2131
47	I	B	0.0000
48	V	B	-1.6381
49	E	B	-2.4939
50	Q	B	-1.7476
51	Y	B	-0.4532
52	A	B	-1.0684
53	P	B	-0.7806
54	P	B	-0.4647