Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFKIGYWEWRKYGEAIELNVPGSERSYDLTGLKPGTEYRVLIYGVKGGAGSHPLRALFTT
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -3.0262
• Maximal score value: 0.923
• Average score: -0.9598
• Total score value: -86.3786

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	0.9161
2	L	A	0.3158
3	P	A	-0.3670
4	A	A	-0.7079
5	P	A	0.0000
6	K	A	-1.9889
7	N	A	-1.5182
8	L	A	-0.3884
9	V	A	0.9230
10	V	A	0.5249
11	S	A	-0.6317
12	R	A	-2.0269
13	V	A	-1.0457
14	T	A	-1.7901
15	E	A	-3.0262
16	D	A	-2.7091
17	S	A	-2.0831
18	A	A	0.0000
19	R	A	-1.2274
20	L	A	0.0000
21	S	A	-0.3768
22	W	A	0.0000
23	T	A	-1.2934
24	A	A	-1.4152
25	P	A	-1.4127
26	D	A	-2.2747
27	A	A	-1.4353
28	A	A	-1.1655
29	F	A	0.0000
30	D	A	-2.4289
31	S	A	-1.7407
32	F	A	0.0000
33	K	A	-1.0553
34	I	A	0.0000
35	G	A	-0.9619
36	Y	A	-0.3237
37	W	A	-0.6680
38	E	A	-1.4176
39	W	A	-1.1291
40	R	A	-2.4506
41	K	A	-2.2942
42	Y	A	-0.3753
43	G	A	-1.0357
44	E	A	-1.8117
45	A	A	-0.7529
46	I	A	-0.5309
47	E	A	-1.8572
48	L	A	-1.1803
49	N	A	-1.7165
50	V	A	0.0000
51	P	A	-1.4351
52	G	A	0.0000
53	S	A	-1.6218
54	E	A	-1.5514
55	R	A	-1.1594
56	S	A	-0.6505
57	Y	A	-0.7413
58	D	A	-1.7162
59	L	A	0.0000
60	T	A	-1.3619
61	G	A	-1.4910
62	L	A	0.0000
63	K	A	-2.9513
64	P	A	-2.4923
65	G	A	-1.7577
66	T	A	-2.0196
67	E	A	-1.6085
68	Y	A	0.0000
69	R	A	-0.5361
70	V	A	0.0000
71	L	A	-0.3718
72	I	A	0.0000
73	Y	A	-0.5553
74	G	A	0.0000
75	V	A	-1.1778
76	K	A	-1.6876
77	G	A	-1.4089
78	G	A	-1.1460
79	A	A	-0.6547
80	G	A	-0.4642
81	S	A	0.0000
82	H	A	-0.7664
83	P	A	-0.9128
84	L	A	-0.9514
85	R	A	-1.3424
86	A	A	-0.0015
87	L	A	0.7546
88	F	A	0.0000
89	T	A	-0.8193
90	T	A	-1.8441