Project name: 07_rank

Chain sequence(s)	B: TPQEKHNRYVEEQKWWMERFLKDQGEETYEIYLPAYRKRVEESKKDPKVPPTIPWVDP
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                                          (00:02:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:47)

• Minimal score value: -4.2325
• Maximal score value: 1.0939
• Average score: -1.8362
• Total score value: -106.4997

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	T	B	-1.4328
2	P	B	-1.9155
3	Q	B	-2.8288
4	E	B	-3.2035
5	K	B	-3.4493
6	H	B	-2.8414
7	N	B	-3.6652
8	R	B	-3.8756
9	Y	B	-2.0854
10	V	B	0.0000
11	E	B	-3.8441
12	E	B	-2.7853
13	Q	B	-1.8777
14	K	B	-2.2792
15	W	B	-0.5070
16	W	B	0.3140
17	M	B	-0.3729
18	E	B	-0.8695
19	R	B	-1.1451
20	F	B	-0.0706
21	L	B	0.0000
22	K	B	-3.2832
23	D	B	-2.8968
24	Q	B	-2.6243
25	G	B	-2.9166
26	E	B	-3.8836
27	E	B	-3.4104
28	T	B	-2.2439
29	Y	B	-2.6165
30	E	B	-2.6718
31	I	B	-1.0871
32	Y	B	-0.5290
33	L	B	-1.4231
34	P	B	-1.2501
35	A	B	-0.9818
36	Y	B	0.0000
37	R	B	-3.5872
38	K	B	-3.6255
39	R	B	-2.9893
40	V	B	0.0000
41	E	B	-4.2325
42	E	B	-3.4834
43	S	B	0.0000
44	K	B	-3.3952
45	K	B	-3.2086
46	D	B	-2.6323
47	P	B	-2.2173
48	K	B	-2.2437
49	V	B	-1.5721
50	P	B	-0.8257
51	P	B	-1.5003
52	T	B	0.0743
53	I	B	0.5791
54	P	B	0.2999
55	W	B	1.0939
56	V	B	0.1327
57	D	B	-1.4022
58	P	B	-1.2112