Project name: 52_rank

Chain sequence(s)	B: SVEGKTFHTPQEVIDFVMKEAGLHRHEVEYLLFQNPELTYTEKAKYIVEQYKPA
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                                          (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -3.5776
• Maximal score value: 1.3655
• Average score: -1.2522
• Total score value: -67.6202

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	-1.3508
2	V	B	-1.7523
3	E	B	-2.4680
4	G	B	-1.8136
5	K	B	-1.9431
6	T	B	-1.3279
7	F	B	0.0000
8	H	B	-1.4583
9	T	B	-1.2367
10	P	B	-1.4506
11	Q	B	-2.3224
12	E	B	-2.3449
13	V	B	0.0000
14	I	B	0.0000
15	D	B	-2.7771
16	F	B	-1.7498
17	V	B	0.0000
18	M	B	-2.3687
19	K	B	-2.6027
20	E	B	-1.9258
21	A	B	0.0000
22	G	B	-1.6825
23	L	B	-1.9097
24	H	B	-2.7920
25	R	B	-3.5776
26	H	B	-2.6969
27	E	B	-2.6132
28	V	B	0.0000
29	E	B	-1.0684
30	Y	B	0.1380
31	L	B	0.0000
32	L	B	0.0000
33	F	B	1.3655
34	Q	B	-0.3795
35	N	B	-0.6883
36	P	B	-1.0029
37	E	B	-1.9620
38	L	B	-0.9406
39	T	B	-0.8059
40	Y	B	-0.5294
41	T	B	-1.1728
42	E	B	-1.3567
43	K	B	-0.6729
44	A	B	0.0000
45	K	B	-1.8425
46	Y	B	-0.9214
47	I	B	0.0000
48	V	B	0.0000
49	E	B	-2.6711
50	Q	B	-2.0574
51	Y	B	-1.0264
52	K	B	-2.0789
53	P	B	-1.1253
54	A	B	-0.6567