Project name: 06_rank

Chain sequence(s)	B: SKEELEKEYRQLWYVVEPVWFFMRREGRPEEYYQYLTPHQREAVERLEEVKKQL
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                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -4.3386
• Maximal score value: 0.9682
• Average score: -1.9066
• Total score value: -102.9559

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	-2.2699
2	K	B	-3.6707
3	E	B	-4.1891
4	E	B	-4.0771
5	L	B	-3.8802
6	E	B	-4.0702
7	K	B	-4.3386
8	E	B	-3.4309
9	Y	B	-2.7856
10	R	B	-2.6566
11	Q	B	-2.0027
12	L	B	-1.5252
13	W	B	-0.3124
14	Y	B	0.6895
15	V	B	0.2459
16	V	B	0.0000
17	E	B	0.5899
18	P	B	0.8664
19	V	B	0.9682
20	W	B	0.2046
21	F	B	0.4991
22	F	B	0.5981
23	M	B	-1.5308
24	R	B	-3.2261
25	R	B	-3.0870
26	E	B	-3.4192
27	G	B	-3.2388
28	R	B	-3.6009
29	P	B	-2.6508
30	E	B	-2.9510
31	E	B	-2.3467
32	Y	B	-0.5470
33	Y	B	-0.1460
34	Q	B	-0.8457
35	Y	B	0.5054
36	L	B	0.0000
37	T	B	-0.7546
38	P	B	-1.3353
39	H	B	-1.8821
40	Q	B	-1.4241
41	R	B	-2.2914
42	E	B	-3.4020
43	A	B	0.0000
44	V	B	-2.4440
45	E	B	-3.8966
46	R	B	-3.9885
47	L	B	0.0000
48	E	B	-3.8552
49	E	B	-4.0698
50	V	B	0.0000
51	K	B	-3.5245
52	K	B	-3.5801
53	Q	B	-2.9143
54	L	B	-1.9613