Project name: 63_rank

Chain sequence(s)	B: PSRPVLLHMARNRIEREAYRTGDPQLVHWAFYPDDPETRARLEELAEEIRREMEE
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -4.8456
• Maximal score value: 1.8775
• Average score: -1.7458
• Total score value: -96.0178

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	-0.4869
2	S	B	-0.9696
3	R	B	-2.2780
4	P	B	-0.9671
5	V	B	-0.0215
6	L	B	0.0000
7	L	B	-1.9301
8	H	B	-1.3210
9	M	B	-0.9393
10	A	B	0.0000
11	R	B	-2.1213
12	N	B	-2.5360
13	R	B	-2.7360
14	I	B	0.0000
15	E	B	-2.3797
16	R	B	-3.0672
17	E	B	-3.0090
18	A	B	0.0000
19	Y	B	-0.8998
20	R	B	-2.3388
21	T	B	-1.5252
22	G	B	-1.4326
23	D	B	-1.5185
24	P	B	-1.0974
25	Q	B	-1.4148
26	L	B	-1.2970
27	V	B	-0.0899
28	H	B	-0.4681
29	W	B	-0.6075
30	A	B	-0.0466
31	F	B	1.8775
32	Y	B	1.0019
33	P	B	-0.6290
34	D	B	-1.9151
35	D	B	-1.8658
36	P	B	-2.2186
37	E	B	-2.9678
38	T	B	0.0000
39	R	B	-3.4913
40	A	B	-2.9665
41	R	B	-3.0519
42	L	B	0.0000
43	E	B	-3.9478
44	E	B	-3.8047
45	L	B	-3.0679
46	A	B	0.0000
47	E	B	-4.2289
48	E	B	-4.1981
49	I	B	0.0000
50	R	B	-3.7354
51	R	B	-4.8456
52	E	B	-4.3381
53	M	B	-2.7459
54	E	B	-3.6954
55	E	B	-3.6845