Project name: 5eff895093ff5b6

Chain sequence(s)	A: MKKKIISAILMSTVILSAAAPLSGASAACTGSTQHQCGEAEAKPQGIWGGEKGEAEAKGPLGGQPR
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:06)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:06)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:06)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:06)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:06)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -3.5249
• Maximal score value: 4.0544
• Average score: -0.4865
• Total score value: -32.1104

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	A	-0.5048
2	K	A	-2.1092
3	K	A	-2.5531
4	K	A	-1.9203
5	I	A	0.1045
6	I	A	0.8513
7	S	A	0.5470
8	A	A	1.4522
9	I	A	3.2342
10	L	A	3.8185
11	M	A	3.6423
12	S	A	3.0323
13	T	A	3.1412
14	V	A	4.0544
15	I	A	3.9370
16	L	A	3.0532
17	S	A	1.9004
18	A	A	1.8002
19	A	A	1.5814
20	A	A	0.8387
21	P	A	0.4394
22	L	A	1.1795
23	S	A	0.2530
24	G	A	-0.0264
25	A	A	0.3415
26	S	A	0.2049
27	A	A	0.1347
28	A	A	-0.0150
29	C	A	0.2095
30	T	A	-0.4062
31	G	A	-0.8844
32	S	A	-1.0880
33	T	A	-1.4527
34	Q	A	-2.3012
35	H	A	-2.8341
36	Q	A	-2.8953
37	C	A	-2.1308
38	G	A	-2.8254
39	E	A	-3.5249
40	A	A	-2.6969
41	E	A	-3.3610
42	A	A	-2.6145
43	K	A	-3.2235
44	P	A	-1.7594
45	Q	A	-1.7630
46	G	A	-0.1609
47	I	A	1.8603
48	W	A	1.3015
49	G	A	-0.6027
50	G	A	-1.4798
51	E	A	-3.2889
52	K	A	-3.4055
53	G	A	-3.1642
54	E	A	-3.0968
55	A	A	-1.8449
56	E	A	-2.6116
57	A	A	-1.9867
58	K	A	-2.3379
59	G	A	-1.1432
60	P	A	-0.1661
61	L	A	1.0014
62	G	A	-0.2589
63	G	A	-1.2553
64	Q	A	-2.1077
65	P	A	-1.9063
66	R	A	-2.3174