Project name: 885ad7386ca3e0e

Chain sequence(s)	B: SALMKEIMELSEKMKEHMKKAWETLGEESEKYLALAKEYGKKIKEIFEKA
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                                          (00:02:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:29)

• Minimal score value: -3.8774
• Maximal score value: 0.074
• Average score: -2.0958
• Total score value: -104.7904

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	-0.3974
2	A	B	-0.4692
3	L	B	0.0740
4	M	B	-0.2888
5	K	B	-2.0989
6	E	B	-2.4136
7	I	B	0.0000
8	M	B	-1.3486
9	E	B	-2.5618
10	L	B	0.0000
11	S	B	-2.2829
12	E	B	-3.4024
13	K	B	-2.9295
14	M	B	-2.6462
15	K	B	-3.4561
16	E	B	-3.6362
17	H	B	-2.5787
18	M	B	-1.9766
19	K	B	-2.8033
20	K	B	-2.7693
21	A	B	0.0000
22	W	B	-0.6302
23	E	B	-1.8028
24	T	B	-1.4691
25	L	B	-0.0988
26	G	B	-1.7066
27	E	B	-3.4411
28	E	B	-3.4912
29	S	B	-2.4776
30	E	B	-3.2316
31	K	B	-3.5446
32	Y	B	-2.4779
33	L	B	-1.4529
34	A	B	-1.6301
35	L	B	-1.5665
36	A	B	-2.4087
37	K	B	-2.8771
38	E	B	-3.2664
39	Y	B	-2.9285
40	G	B	-2.9512
41	K	B	-3.8774
42	K	B	-3.4700
43	I	B	-2.4422
44	K	B	-3.4048
45	E	B	-3.3913
46	I	B	0.0000
47	F	B	-0.5907
48	E	B	-2.7061
49	K	B	-2.5434
50	A	B	-0.9261