Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYWEPGIGGEAIWLAVPGSERSYDLTGLKPGTEYKVWIHGVKGGASSPPLIARFTT
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -3.0707
• Maximal score value: 1.4577
• Average score: -0.6547
• Total score value: -58.9198

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	1.0627
2	L	A	0.4594
3	P	A	-0.2127
4	A	A	-0.5060
5	P	A	0.0000
6	K	A	-2.0712
7	N	A	-1.3003
8	L	A	0.1639
9	V	A	0.8949
10	V	A	0.0447
11	S	A	-0.5964
12	R	A	-1.9958
13	V	A	-1.0196
14	T	A	-1.8011
15	E	A	-3.0707
16	D	A	-2.7815
17	S	A	-2.0737
18	A	A	0.0000
19	R	A	-1.1590
20	L	A	0.0000
21	S	A	-0.3739
22	W	A	0.0000
23	T	A	-1.3380
24	A	A	0.0000
25	P	A	-1.4151
26	D	A	-2.2852
27	A	A	-1.4189
28	A	A	-1.1562
29	F	A	0.0000
30	D	A	-2.3942
31	S	A	-1.4310
32	F	A	0.0000
33	N	A	0.1652
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.4388
37	W	A	-0.2662
38	E	A	-0.9823
39	P	A	-0.7646
40	G	A	0.0535
41	I	A	1.0862
42	G	A	-0.1551
43	G	A	-0.5111
44	E	A	-1.3477
45	A	A	-0.1729
46	I	A	0.9559
47	W	A	1.4577
48	L	A	1.0415
49	A	A	0.3194
50	V	A	0.0000
51	P	A	-1.1488
52	G	A	0.0000
53	S	A	-1.6646
54	E	A	-1.6249
55	R	A	-1.2024
56	S	A	-0.6645
57	Y	A	-0.7015
58	D	A	-1.5446
59	L	A	0.0000
60	T	A	-1.3286
61	G	A	-1.5108
62	L	A	0.0000
63	K	A	-3.0707
64	P	A	-2.6569
65	G	A	-1.9488
66	T	A	-2.0779
67	E	A	-2.3163
68	Y	A	0.0000
69	K	A	-1.0286
70	V	A	0.0000
71	W	A	1.0090
72	I	A	0.0000
73	H	A	-0.1034
74	G	A	0.0000
75	V	A	-0.8933
76	K	A	-1.5780
77	G	A	-1.3432
78	G	A	-1.0753
79	A	A	-0.5166
80	S	A	-0.2396
81	S	A	0.0000
82	P	A	0.2291
83	P	A	0.1854
84	L	A	0.6756
85	I	A	1.1351
86	A	A	0.0584
87	R	A	-1.7376
88	F	A	0.0000
89	T	A	-1.7671
90	T	A	-2.0118