Project name: 21_rank

Chain sequence(s)	B: MIDVSKWSIQERQVKVYEIMRQVEENPHDPRLKGVSWYMLDRMMMYPEDPENIKRLEELVNG
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                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:27)

• Minimal score value: -3.6781
• Maximal score value: 1.2722
• Average score: -1.1675
• Total score value: -72.3845

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	0.7074
2	I	B	0.0840
3	D	B	-1.6619
4	V	B	0.0000
5	S	B	-1.9092
6	K	B	-1.9735
7	W	B	-1.4398
8	S	B	-1.2199
9	I	B	-0.5309
10	Q	B	-1.4867
11	E	B	-1.7884
12	R	B	0.0000
13	Q	B	-0.0084
14	V	B	0.7264
15	K	B	-0.4895
16	V	B	0.0000
17	Y	B	0.6272
18	E	B	-0.9670
19	I	B	0.0000
20	M	B	-1.0341
21	R	B	-2.7405
22	Q	B	-2.6415
23	V	B	-2.5662
24	E	B	-3.6781
25	E	B	-3.6475
26	N	B	-2.9461
27	P	B	-2.4938
28	H	B	-2.5593
29	D	B	-2.4461
30	P	B	-2.2617
31	R	B	-2.9878
32	L	B	-2.3122
33	K	B	-2.7298
34	G	B	-1.4982
35	V	B	-0.3983
36	S	B	0.3995
37	W	B	1.1702
38	Y	B	1.2722
39	M	B	0.4728
40	L	B	0.0000
41	D	B	-0.1107
42	R	B	0.0841
43	M	B	0.0000
44	M	B	0.5854
45	M	B	0.8206
46	Y	B	0.4932
47	P	B	0.0000
48	E	B	-1.7576
49	D	B	-1.8425
50	P	B	-2.1761
51	E	B	-2.9725
52	N	B	0.0000
53	I	B	-2.4941
54	K	B	-3.4782
55	R	B	-2.5749
56	L	B	0.0000
57	E	B	-2.8050
58	E	B	-3.0473
59	L	B	0.0000
60	V	B	-1.1237
61	N	B	-1.1945
62	G	B	-1.8340