Project name: 62_rank

Chain sequence(s)	B: PSRPVLLHMARNRIEREAYRTGDPQLVHWAFYPDDPETRARLEELAEEIRREMEA
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -4.0926
• Maximal score value: 1.9535
• Average score: -1.6254
• Total score value: -89.3952

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	P	B	-0.5834
2	S	B	-0.9664
3	R	B	-2.3398
4	P	B	-0.9463
5	V	B	0.1604
6	L	B	0.0000
7	L	B	-1.8714
8	H	B	-1.3621
9	M	B	-0.9960
10	A	B	0.0000
11	R	B	-2.2030
12	N	B	-2.6626
13	R	B	-2.9578
14	I	B	0.0000
15	E	B	-2.4648
16	R	B	-3.2159
17	E	B	-2.4340
18	A	B	0.0000
19	Y	B	-0.7226
20	R	B	-2.1419
21	T	B	-1.3540
22	G	B	-1.3091
23	D	B	-1.3530
24	P	B	-1.1158
25	Q	B	-1.1470
26	L	B	-0.9065
27	V	B	0.1053
28	H	B	-0.1885
29	W	B	-0.4097
30	A	B	0.1206
31	F	B	1.9535
32	Y	B	1.0030
33	P	B	-0.6164
34	D	B	-1.9158
35	D	B	-1.7804
36	P	B	-2.0770
37	E	B	-2.7240
38	T	B	0.0000
39	R	B	-3.1509
40	A	B	-2.8588
41	R	B	-2.9875
42	L	B	0.0000
43	E	B	-4.0290
44	E	B	-3.7594
45	L	B	-2.9886
46	A	B	0.0000
47	E	B	-4.0726
48	E	B	-3.7303
49	I	B	-2.9673
50	R	B	-3.3847
51	R	B	-4.0926
52	E	B	-3.4837
53	M	B	-1.9745
54	E	B	-2.7232
55	A	B	-1.7697