Project name: b79bb878ba18287

Chain sequence(s)	B: QRTESIIARALYYDLISGRKKRRQRRRPPQ
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -6.5774
• Maximal score value: 2.3381
• Average score: -1.9891
• Total score value: -59.6727

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	Q	B	-2.4233
2	R	B	-2.5365
3	T	B	-1.5573
4	E	B	-2.1049
5	S	B	-1.1690
6	I	B	0.3581
7	I	B	1.5214
8	A	B	0.5444
9	R	B	0.1478
10	A	B	1.0906
11	L	B	2.0860
12	Y	B	2.3381
13	Y	B	1.6837
14	D	B	-0.3554
15	L	B	0.3992
16	I	B	0.4158
17	S	B	-1.1392
18	G	B	-2.5703
19	R	B	-4.2485
20	K	B	-5.1827
21	K	B	-5.5091
22	R	B	-6.3289
23	R	B	-6.5774
24	Q	B	-6.0636
25	R	B	-5.9762
26	R	B	-5.5110
27	R	B	-4.5559
28	P	B	-2.7088
29	P	B	-2.0822
30	Q	B	-1.6576