Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYAEPGIGGEAIWLRVPGSERSYDLTGLKPGTEYKVWIHGVKGGASSPPLIARFTT
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.0478
• Maximal score value: 1.2079
• Average score: -0.7642
• Total score value: -68.7784

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	1.0630
2	L	A	0.3992
3	P	A	-0.2072
4	A	A	-0.5206
5	P	A	0.0000
6	K	A	-1.9050
7	N	A	-1.3705
8	L	A	-0.0595
9	V	A	0.9136
10	V	A	0.0606
11	S	A	-0.5852
12	R	A	-1.9870
13	V	A	-0.9913
14	T	A	-1.7766
15	E	A	-3.0451
16	D	A	-2.6843
17	S	A	-2.0200
18	A	A	0.0000
19	R	A	-1.1253
20	L	A	0.0000
21	S	A	-0.3495
22	W	A	0.0000
23	T	A	-1.3174
24	A	A	-1.4359
25	P	A	-1.4009
26	D	A	-2.2798
27	A	A	-1.4548
28	A	A	-1.2087
29	F	A	0.0000
30	D	A	-2.5982
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.7521
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.0960
37	A	A	0.0000
38	E	A	-1.5613
39	P	A	-1.0041
40	G	A	-0.0293
41	I	A	1.2079
42	G	A	-0.2472
43	G	A	-0.9226
44	E	A	-1.4612
45	A	A	-0.3704
46	I	A	0.7962
47	W	A	0.9314
48	L	A	0.0347
49	R	A	-1.6396
50	V	A	0.0000
51	P	A	-1.5527
52	G	A	0.0000
53	S	A	-1.6210
54	E	A	-1.7070
55	R	A	-1.1478
56	S	A	-0.5863
57	Y	A	-0.6281
58	D	A	-1.5043
59	L	A	0.0000
60	T	A	-1.2930
61	G	A	-1.4850
62	L	A	0.0000
63	K	A	-3.0478
64	P	A	-2.6661
65	G	A	-1.9315
66	T	A	-2.0897
67	E	A	-2.5099
68	Y	A	0.0000
69	K	A	-1.3343
70	V	A	0.0000
71	W	A	0.5379
72	I	A	0.0000
73	H	A	-0.3678
74	G	A	0.0000
75	V	A	-1.3652
76	K	A	-1.8688
77	G	A	-1.4813
78	G	A	-1.1842
79	A	A	-0.6571
80	S	A	-0.3839
81	S	A	0.0000
82	P	A	0.1510
83	P	A	0.0671
84	L	A	0.3699
85	I	A	0.9097
86	A	A	-0.0326
87	R	A	-1.8343
88	F	A	0.0000
89	T	A	-1.7407
90	T	A	-1.9856