Project name: 80-6

Chain sequence(s)	A: APMPKEEQRKLVEEIYEKIKELALKNNASEDTLMWLDVFYDSAMWMVEEDEPYEEVMMVFEIYISFVEGELKEELKKIIE
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:41)

• Minimal score value: -3.8738
• Maximal score value: 1.3581
• Average score: -1.4434
• Total score value: -115.4699

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	A	A	-0.0168
2	P	A	-0.1796
3	M	A	-0.5406
4	P	A	-1.5575
5	K	A	-2.8277
6	E	A	-3.3050
7	E	A	-2.9456
8	Q	A	-2.4132
9	R	A	-2.9279
10	K	A	-3.4829
11	L	A	-2.2405
12	V	A	0.0000
13	E	A	-3.1918
14	E	A	-3.3382
15	I	A	-2.0090
16	Y	A	-2.6477
17	E	A	-3.6335
18	K	A	-3.0571
19	I	A	0.0000
20	K	A	-2.3445
21	E	A	-2.7155
22	L	A	-1.8711
23	A	A	0.0000
24	L	A	-0.7793
25	K	A	-2.0550
26	N	A	-2.0795
27	N	A	-1.6991
28	A	A	-1.3680
29	S	A	-1.6182
30	E	A	-2.3646
31	D	A	-2.2282
32	T	A	-0.8105
33	L	A	-0.4754
34	M	A	-0.0348
35	W	A	0.6241
36	L	A	0.0000
37	D	A	-0.4251
38	V	A	0.6084
39	F	A	0.5523
40	Y	A	-0.5087
41	D	A	-1.0661
42	S	A	-0.2960
43	A	A	0.0000
44	M	A	-0.8775
45	W	A	-0.4212
46	M	A	0.0000
47	V	A	0.0000
48	E	A	-2.6214
49	E	A	-3.0985
50	D	A	-3.2904
51	E	A	-2.7278
52	P	A	-2.0578
53	Y	A	-1.5636
54	E	A	-2.2833
55	E	A	-2.1735
56	V	A	0.0000
57	M	A	-0.7787
58	M	A	-0.7477
59	V	A	0.0000
60	F	A	0.0000
61	E	A	-1.4097
62	I	A	0.3932
63	Y	A	0.0000
64	I	A	0.0000
65	S	A	0.0414
66	F	A	1.3581
67	V	A	0.0000
68	E	A	-2.4348
69	G	A	-2.8621
70	E	A	-3.3761
71	L	A	0.0000
72	K	A	-2.9755
73	E	A	-3.8738
74	E	A	-2.7765
75	L	A	0.0000
76	K	A	-3.1117
77	K	A	-3.0482
78	I	A	-1.6983
79	I	A	-1.3182
80	E	A	-2.4669