Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSARLSWTAPDAAFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLCPGTEYTVSIYGVKGGHRSNPLSAIFTTGG
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -2.6921
• Maximal score value: 1.8936
• Average score: -0.7679
• Total score value: -69.8764

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	L	A	-0.0031
2	P	A	-0.3433
3	A	A	-0.8263
4	P	A	0.0000
5	K	A	-1.7058
6	N	A	-1.3500
7	L	A	-0.0829
8	V	A	1.2459
9	V	A	0.5931
10	S	A	-0.7038
11	E	A	-1.9277
12	V	A	-1.1410
13	T	A	-1.6879
14	E	A	-2.5545
15	D	A	-2.0913
16	S	A	-1.8237
17	A	A	0.0000
18	R	A	-1.5895
19	L	A	0.0000
20	S	A	-0.4552
21	W	A	0.0000
22	T	A	-1.1754
23	A	A	-1.3264
24	P	A	-1.2791
25	D	A	-2.2209
26	A	A	-1.4761
27	A	A	-1.1210
28	F	A	0.0000
29	D	A	-2.6921
30	S	A	-1.5941
31	F	A	0.0000
32	L	A	0.3910
33	I	A	0.0000
34	Q	A	0.4464
35	Y	A	0.0000
36	Q	A	-0.9516
37	E	A	-1.4932
38	S	A	-1.4285
39	E	A	-2.6465
40	K	A	-2.3603
41	V	A	-0.1668
42	G	A	-1.2082
43	E	A	-1.5946
44	A	A	-0.4086
45	I	A	0.8716
46	V	A	1.7019
47	L	A	1.2643
48	T	A	0.4570
49	V	A	0.0000
50	P	A	-1.0730
51	G	A	0.0000
52	S	A	-1.5918
53	E	A	-1.5061
54	R	A	-0.9651
55	S	A	-0.7765
56	Y	A	-0.9522
57	D	A	-1.9619
58	L	A	0.0000
59	T	A	-1.2367
60	G	A	-0.9688
61	L	A	0.0000
62	C	A	-0.7138
63	P	A	-1.6134
64	G	A	-1.4509
65	T	A	0.0000
66	E	A	-1.2228
67	Y	A	0.0000
68	T	A	0.0556
69	V	A	0.0000
70	S	A	0.1899
71	I	A	0.0000
72	Y	A	-0.6294
73	G	A	0.0000
74	V	A	-1.9636
75	K	A	-2.5850
76	G	A	-2.1299
77	G	A	-2.1096
78	H	A	-2.4365
79	R	A	-2.4790
80	S	A	0.0000
81	N	A	-1.4257
82	P	A	-1.0036
83	L	A	-0.5762
84	S	A	0.1014
85	A	A	1.1762
86	I	A	1.8936
87	F	A	0.0000
88	T	A	-0.4393
89	T	A	0.0000
90	G	A	-1.5447
91	G	A	-1.4794