Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFSISYRERSAWGEAIALVVPGSERSYDLTGLKPGIEYIVGIIGVKGGLRSNPLRADFTT
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -3.0363
• Maximal score value: 1.9313
• Average score: -0.9221
• Total score value: -82.9869

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	0.7939
2	L	A	0.1560
3	P	A	-0.6748
4	A	A	-1.0550
5	P	A	0.0000
6	K	A	-2.1829
7	N	A	-1.4641
8	L	A	-0.5690
9	V	A	0.7427
10	V	A	0.0870
11	S	A	-0.6457
12	R	A	-2.0734
13	V	A	-1.1445
14	T	A	-1.8470
15	E	A	-3.0363
16	D	A	-2.7958
17	S	A	-2.1518
18	A	A	0.0000
19	R	A	-1.2397
20	L	A	0.0000
21	S	A	-0.3070
22	W	A	0.0000
23	T	A	-1.2560
24	A	A	-1.4144
25	P	A	-1.4063
26	D	A	-2.2716
27	A	A	-1.4281
28	A	A	-1.1631
29	F	A	0.0000
30	D	A	-2.3682
31	S	A	-1.1037
32	F	A	0.0000
33	S	A	0.6955
34	I	A	0.0000
35	S	A	0.1926
36	Y	A	-0.7036
37	R	A	-1.4199
38	E	A	-2.1503
39	R	A	-2.5630
40	S	A	-1.1902
41	A	A	-0.8036
42	W	A	0.1287
43	G	A	-0.9372
44	E	A	-1.6306
45	A	A	-0.7206
46	I	A	0.2890
47	A	A	0.7264
48	L	A	1.4566
49	V	A	1.9313
50	V	A	0.0000
51	P	A	-0.7329
52	G	A	0.0000
53	S	A	-1.6379
54	E	A	-1.7626
55	R	A	-1.1911
56	S	A	-0.6575
57	Y	A	-0.7341
58	D	A	-1.6731
59	L	A	0.0000
60	T	A	-1.3804
61	G	A	-1.5326
62	L	A	0.0000
63	K	A	-2.9000
64	P	A	-2.3478
65	G	A	-1.5497
66	I	A	-1.6780
67	E	A	-2.3722
68	Y	A	0.0000
69	I	A	-1.9379
70	V	A	0.0000
71	G	A	-0.9655
72	I	A	0.0000
73	I	A	-0.3684
74	G	A	0.0000
75	V	A	-0.8840
76	K	A	-1.4986
77	G	A	-1.1377
78	G	A	-0.7454
79	L	A	0.2260
80	R	A	-1.2330
81	S	A	0.0000
82	N	A	-1.5873
83	P	A	-1.4752
84	L	A	-1.3886
85	R	A	-2.2575
86	A	A	-1.3709
87	D	A	-2.4320
88	F	A	0.0000
89	T	A	-1.5192
90	T	A	-1.7441