Project name: 73330e5c98c829c

Chain sequence(s)	B: LAAMKELKERLKKAKEIMMKMAELASPEVVEKAKEFAKKMDEKFAKIVAA
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                                          (00:02:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:50)

• Minimal score value: -4.6377
• Maximal score value: 1.2386
• Average score: -1.9353
• Total score value: -96.7658

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	L	B	1.2386
2	A	B	0.1445
3	A	B	-0.0384
4	M	B	-0.3914
5	K	B	-2.3602
6	E	B	-2.7815
7	L	B	-1.7704
8	K	B	-3.2985
9	E	B	-4.6377
10	R	B	-4.4436
11	L	B	-3.3970
12	K	B	-4.4082
13	K	B	-4.0211
14	A	B	-2.4997
15	K	B	-2.5884
16	E	B	-2.6529
17	I	B	-0.8982
18	M	B	-0.4636
19	M	B	-1.4265
20	K	B	-0.9443
21	M	B	0.4619
22	A	B	0.0000
23	E	B	-1.3690
24	L	B	0.8088
25	A	B	0.1462
26	S	B	-0.9397
27	P	B	-1.8527
28	E	B	-3.0639
29	V	B	-1.9293
30	V	B	0.0000
31	E	B	-4.1087
32	K	B	-3.7196
33	A	B	0.0000
34	K	B	-3.8403
35	E	B	-3.8979
36	F	B	-1.9684
37	A	B	-3.2207
38	K	B	-4.2421
39	K	B	-3.9150
40	M	B	-2.9796
41	D	B	-3.7987
42	E	B	-3.9957
43	K	B	-3.5169
44	F	B	-1.7543
45	A	B	-1.7139
46	K	B	-1.8732
47	I	B	0.2141
48	V	B	0.5243
49	A	B	0.1002
50	A	B	0.3168