Project name: 2adc1158fc097d7

Chain sequence(s)	B: QRTESIIARALYYDLISYRRPRFNVQRTESIIARALYYDLIS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -2.6588
• Maximal score value: 3.0671
• Average score: 0.5457
• Total score value: 22.9212

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	-2.4542
2	R	B	-2.2873
3	T	B	-1.1453
4	E	B	-1.7003
5	S	B	-0.3729
6	I	B	1.6888
7	I	B	2.4123
8	A	B	1.2354
9	R	B	1.2083
10	A	B	2.0109
11	L	B	2.9390
12	Y	B	3.0671
13	Y	B	2.4618
14	D	B	0.7546
15	L	B	1.9262
16	I	B	1.5040
17	S	B	0.5857
18	Y	B	0.5255
19	R	B	-1.9370
20	R	B	-2.6588
21	P	B	-1.9257
22	R	B	-1.9119
23	F	B	0.5009
24	N	B	-0.6457
25	V	B	0.1719
26	Q	B	-1.6792
27	R	B	-2.4543
28	T	B	-1.0212
29	E	B	-1.3876
30	S	B	-0.4870
31	I	B	1.8357
32	I	B	2.5407
33	A	B	1.3138
34	R	B	0.5565
35	A	B	1.6411
36	L	B	2.9455
37	Y	B	3.0170
38	Y	B	2.4316
39	D	B	0.8304
40	L	B	2.6860
41	I	B	3.0639
42	S	B	1.1350