Project name: rank_12

Chain sequence(s)	B: SKRWSVEEVIEMIRRYGLWWWSRAKTPHERNQVYLWVYDFAHWAAHRLKASNEEWEELWKAMWEIMESLP
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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)

• Minimal score value: -3.6214
• Maximal score value: 0.9869
• Average score: -1.3008
• Total score value: -91.0589

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	-1.3727
2	K	B	-2.5949
3	R	B	-3.0682
4	W	B	-1.6125
5	S	B	-1.4873
6	V	B	-1.5010
7	E	B	-2.6362
8	E	B	-2.3954
9	V	B	0.0000
10	I	B	-1.7849
11	E	B	-2.3599
12	M	B	-1.2416
13	I	B	0.0000
14	R	B	-1.1334
15	R	B	-1.0545
16	Y	B	0.5299
17	G	B	0.0000
18	L	B	0.5033
19	W	B	0.9254
20	W	B	0.1901
21	W	B	-0.6114
22	S	B	-0.7997
23	R	B	-2.1951
24	A	B	0.0000
25	K	B	-2.7821
26	T	B	-2.3013
27	P	B	-2.1114
28	H	B	-2.6470
29	E	B	-2.9225
30	R	B	-2.6717
31	N	B	-2.0637
32	Q	B	-1.2401
33	V	B	0.0000
34	Y	B	0.2807
35	L	B	0.9869
36	W	B	0.8148
37	V	B	0.0000
38	Y	B	0.7602
39	D	B	-0.5185
40	F	B	0.1823
41	A	B	0.0000
42	H	B	-0.6436
43	W	B	-0.6542
44	A	B	0.0000
45	A	B	0.0000
46	H	B	-2.1212
47	R	B	-2.7958
48	L	B	-2.4075
49	K	B	-2.8638
50	A	B	-2.4163
51	S	B	-2.2666
52	N	B	-3.0430
53	E	B	-3.4423
54	E	B	-2.8641
55	W	B	-2.7087
56	E	B	-3.6214
57	E	B	-3.4325
58	L	B	0.0000
59	W	B	-1.7893
60	K	B	-2.5465
61	A	B	-1.9889
62	M	B	0.0000
63	W	B	-0.8907
64	E	B	-2.4829
65	I	B	0.0000
66	M	B	0.0000
67	E	B	-2.2428
68	S	B	-1.4324
69	L	B	0.0000
70	P	B	-0.4710