Project name: 90_rank

Chain sequence(s)	B: SAELEELRRRVHEVIRNLTPDDLYTYINDMYAFRMKLRERGYSAVEVSIVTQALSRAWFDPEDAIRYADELIERDLP
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                                          (00:02:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:04)

• Minimal score value: -3.9675
• Maximal score value: 1.8739
• Average score: -1.3253
• Total score value: -102.0483

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	-1.5458
2	A	B	-1.8449
3	E	B	-2.7112
4	L	B	-2.7319
5	E	B	-3.7928
6	E	B	-3.5790
7	L	B	-2.5467
8	R	B	-3.3696
9	R	B	-3.5070
10	R	B	-2.9370
11	V	B	0.0000
12	H	B	-3.0289
13	E	B	-3.0848
14	V	B	0.0000
15	I	B	0.0000
16	R	B	-3.2875
17	N	B	-2.5384
18	L	B	-1.4827
19	T	B	-1.0378
20	P	B	-0.7408
21	D	B	-1.3714
22	D	B	0.0000
23	L	B	0.7717
24	Y	B	1.0454
25	T	B	0.2715
26	Y	B	0.0000
27	I	B	1.8739
28	N	B	-0.1318
29	D	B	-0.1847
30	M	B	0.9687
31	Y	B	0.9159
32	A	B	-0.0947
33	F	B	0.0000
34	R	B	-0.7896
35	M	B	-1.0087
36	K	B	-2.0794
37	L	B	0.0000
38	R	B	-2.9777
39	E	B	-3.4545
40	R	B	-2.8454
41	G	B	-2.0104
42	Y	B	-1.3176
43	S	B	-0.5413
44	A	B	0.1413
45	V	B	0.9866
46	E	B	0.0000
47	V	B	0.0000
48	S	B	-0.0779
49	I	B	0.0000
50	V	B	0.0000
51	T	B	0.0000
52	Q	B	-1.1563
53	A	B	0.0000
54	L	B	0.0000
55	S	B	-0.7012
56	R	B	-2.0561
57	A	B	-1.5028
58	W	B	0.4290
59	F	B	-0.0638
60	D	B	-1.8121
61	P	B	-2.3019
62	E	B	-3.0769
63	D	B	-2.5039
64	A	B	0.0000
65	I	B	-2.5567
66	R	B	-3.0122
67	Y	B	-2.4185
68	A	B	0.0000
69	D	B	-2.9063
70	E	B	-3.4677
71	L	B	-2.7202
72	I	B	0.0000
73	E	B	-3.9395
74	R	B	-3.9675
75	D	B	-3.2198
76	L	B	-1.7853
77	P	B	-1.6317