Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFWITYEEKFYRGEAIVLTVPGSKRSYDLTGLKPGTEYKVWIVGVKGGQGSWPLSAIFTTGG
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.0306
• Maximal score value: 2.1827
• Average score: -0.6259
• Total score value: -57.5786

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	1.0247
2	L	A	0.5927
3	P	A	0.2522
4	A	A	0.0336
5	P	A	0.0000
6	K	A	-2.1137
7	N	A	-1.5398
8	L	A	-0.1629
9	V	A	1.1546
10	V	A	0.5902
11	S	A	-0.6029
12	R	A	-1.8337
13	V	A	-1.0722
14	T	A	-1.9027
15	E	A	-3.0174
16	D	A	-2.9705
17	S	A	-2.1491
18	A	A	0.0000
19	R	A	-1.2190
20	L	A	0.0000
21	S	A	-0.4028
22	W	A	0.0000
23	T	A	-1.3245
24	A	A	-1.4224
25	P	A	-1.3339
26	D	A	-2.2643
27	A	A	-1.4392
28	A	A	-1.1743
29	F	A	0.0000
30	D	A	-2.6898
31	S	A	-1.2422
32	F	A	0.0000
33	W	A	1.1880
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	0.2391
37	E	A	-0.8112
38	E	A	-1.1694
39	K	A	-0.8317
40	F	A	1.0779
41	Y	A	0.3123
42	R	A	-1.7240
43	G	A	-1.7781
44	E	A	-1.9697
45	A	A	-0.6414
46	I	A	1.0686
47	V	A	2.1827
48	L	A	1.4992
49	T	A	0.6715
50	V	A	0.0000
51	P	A	-0.9750
52	G	A	0.0000
53	S	A	-1.5679
54	K	A	-1.6317
55	R	A	-1.1112
56	S	A	-0.6565
57	Y	A	-0.7821
58	D	A	-1.6613
59	L	A	0.0000
60	T	A	-1.4761
61	G	A	-1.5426
62	L	A	0.0000
63	K	A	-3.0306
64	P	A	-2.6471
65	G	A	-1.9508
66	T	A	0.0000
67	E	A	-1.0143
68	Y	A	0.0000
69	K	A	-0.5007
70	V	A	0.0000
71	W	A	0.6904
72	I	A	0.0000
73	V	A	0.5265
74	G	A	0.0000
75	V	A	-0.9835
76	K	A	-2.0268
77	G	A	-1.8192
78	G	A	-1.7680
79	Q	A	-1.6962
80	G	A	-0.2936
81	S	A	0.0000
82	W	A	1.4198
83	P	A	0.4358
84	L	A	-0.0514
85	S	A	0.2738
86	A	A	0.8275
87	I	A	0.9079
88	F	A	0.0000
89	T	A	-0.9951
90	T	A	0.0000
91	G	A	-1.8170
92	G	A	-1.7461