Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFYIAYAEPRPDGEAILLQVPGSCRSYDLTGLKPGTEYSVLIHGVKGGLLSSPLTAIFTT
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]                                                (00:00:00)
[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 A 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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)

• Minimal score value: -3.2713
• Maximal score value: 2.0621
• Average score: -0.6362
• Total score value: -57.2601

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	1.3951
2	L	A	0.7355
3	P	A	-0.1119
4	A	A	-0.3929
5	P	A	0.0000
6	K	A	-2.0702
7	N	A	-1.4127
8	L	A	0.1641
9	V	A	1.3036
10	V	A	0.8088
11	S	A	-0.4464
12	R	A	-1.8081
13	V	A	-0.6388
14	T	A	-1.5966
15	E	A	-2.9909
16	D	A	-2.7197
17	S	A	-1.9823
18	A	A	0.0000
19	R	A	-1.1232
20	L	A	0.0000
21	S	A	-0.2230
22	W	A	0.0000
23	T	A	-1.1730
24	A	A	-1.2933
25	P	A	-1.4086
26	D	A	-2.1393
27	A	A	-1.5070
28	A	A	-1.3156
29	F	A	0.0000
30	D	A	-2.5411
31	S	A	-1.4502
32	F	A	0.0000
33	Y	A	0.4522
34	I	A	0.0000
35	A	A	1.0423
36	Y	A	0.0000
37	A	A	-0.6729
38	E	A	-2.0239
39	P	A	-1.9182
40	R	A	-3.2713
41	P	A	-2.4177
42	D	A	-3.1668
43	G	A	-2.6391
44	E	A	-2.1543
45	A	A	-0.0252
46	I	A	1.7546
47	L	A	2.0621
48	L	A	1.0049
49	Q	A	-0.6027
50	V	A	0.0000
51	P	A	-0.9645
52	G	A	0.0000
53	S	A	-1.0302
54	C	A	-0.3979
55	R	A	-0.6382
56	S	A	-0.3794
57	Y	A	-0.6688
58	D	A	-1.7118
59	L	A	0.0000
60	T	A	-1.3354
61	G	A	-1.5108
62	L	A	0.0000
63	K	A	-3.0459
64	P	A	-2.5009
65	G	A	-1.8630
66	T	A	-1.9274
67	E	A	-1.5626
68	Y	A	0.0000
69	S	A	0.2248
70	V	A	0.0000
71	L	A	1.0748
72	I	A	0.0000
73	H	A	0.1614
74	G	A	0.0000
75	V	A	-0.6599
76	K	A	-1.6640
77	G	A	-1.2048
78	G	A	-0.5566
79	L	A	0.7774
80	L	A	1.2113
81	S	A	0.0000
82	S	A	0.4339
83	P	A	-0.0585
84	L	A	-0.2682
85	T	A	0.4880
86	A	A	1.3643
87	I	A	1.9419
88	F	A	0.0000
89	T	A	-0.6890
90	T	A	-1.7864