Project name: 41504f35d638ad5e3fb1e445f18dd762

Chain sequence(s)	B: MEEELKEAKELAKKFGEWLKKNPELVNKVSVKVEGLSEEEQKVFQEEYEKYKKEVLKKLKGSGC
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                                          (00:04:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:08)

• Minimal score value: -4.1437
• Maximal score value: 0.0
• Average score: -2.1704
• Total score value: -138.9062

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	M	B	-0.9858
2	E	B	-3.2117
3	E	B	-4.1437
4	E	B	-4.1261
5	L	B	-3.4274
6	K	B	-3.8285
7	E	B	-4.0262
8	A	B	0.0000
9	K	B	-3.1199
10	E	B	-2.7548
11	L	B	-1.7516
12	A	B	0.0000
13	K	B	-2.5195
14	K	B	-2.3672
15	F	B	-0.9227
16	G	B	0.0000
17	E	B	-2.5522
18	W	B	-1.4090
19	L	B	0.0000
20	K	B	-3.0582
21	K	B	-2.6941
22	N	B	-2.0143
23	P	B	-2.5241
24	E	B	-2.4914
25	L	B	-1.6755
26	V	B	0.0000
27	N	B	-2.0390
28	K	B	-2.2015
29	V	B	-0.9939
30	S	B	-0.7972
31	V	B	-0.6961
32	K	B	-2.0699
33	V	B	-1.5947
34	E	B	-2.2956
35	G	B	-1.6287
36	L	B	-2.1288
37	S	B	-2.3083
38	E	B	-3.3058
39	E	B	-3.5938
40	E	B	-3.2755
41	Q	B	-3.2953
42	K	B	-3.5581
43	V	B	-3.0247
44	F	B	0.0000
45	Q	B	-3.2332
46	E	B	-3.5885
47	E	B	-2.9554
48	Y	B	0.0000
49	E	B	-3.5735
50	K	B	-3.6900
51	Y	B	-3.0254
52	K	B	-2.6638
53	K	B	-3.0380
54	E	B	-3.1593
55	V	B	0.0000
56	L	B	0.0000
57	K	B	-3.2907
58	K	B	-3.2955
59	L	B	-2.4840
60	K	B	-2.5820
61	G	B	-1.6805
62	S	B	-1.4182
63	G	B	-0.6730
64	C	B	-0.1444