Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSLRLSWDDPWAFYESFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVHNVYKDTNMRGLPLSAEFTT
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)

• Minimal score value: -2.9637
• Maximal score value: 1.3959
• Average score: -0.9273
• Total score value: -87.1668

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	0.7921
2	P	A	0.4634
3	A	A	-0.0190
4	P	A	0.0000
5	K	A	-2.3592
6	N	A	-1.5867
7	L	A	-0.2579
8	V	A	0.9158
9	V	A	0.0915
10	S	A	-0.6950
11	E	A	-1.8759
12	V	A	-0.9455
13	T	A	-1.5500
14	E	A	-2.7823
15	D	A	-2.7139
16	S	A	-2.1594
17	L	A	0.0000
18	R	A	-1.6919
19	L	A	0.0000
20	S	A	-0.7030
21	W	A	0.0000
22	D	A	-1.9084
23	D	A	0.0000
24	P	A	-0.0034
25	W	A	1.3959
26	A	A	0.6873
27	F	A	1.1800
28	Y	A	0.0000
29	E	A	-2.2326
30	S	A	-1.5644
31	F	A	0.0000
32	L	A	-0.3305
33	I	A	0.0000
34	Q	A	-0.5575
35	Y	A	-0.6295
36	Q	A	-1.5271
37	E	A	-2.1403
38	S	A	-2.1156
39	E	A	-2.3917
40	K	A	-1.9044
41	V	A	0.0513
42	G	A	-0.9412
43	E	A	-1.9009
44	A	A	-0.9804
45	I	A	-0.4340
46	N	A	-1.0020
47	L	A	-0.0985
48	T	A	-0.1555
49	V	A	0.0000
50	P	A	-1.1681
51	G	A	-1.2554
52	S	A	-1.2919
53	E	A	-1.7359
54	R	A	-1.3166
55	S	A	-1.0071
56	Y	A	-1.0805
57	D	A	-2.1514
58	L	A	0.0000
59	T	A	-1.5034
60	G	A	-1.4839
61	L	A	0.0000
62	K	A	-2.9637
63	P	A	-2.5158
64	G	A	-1.8618
65	T	A	-2.2401
66	E	A	-2.7800
67	Y	A	0.0000
68	T	A	-1.4631
69	V	A	0.0000
70	S	A	0.0000
71	I	A	0.0000
72	Y	A	0.0000
73	G	A	0.0000
74	V	A	-1.1581
75	H	A	-1.3561
76	N	A	-2.3368
77	V	A	-0.5989
78	Y	A	-0.1126
79	K	A	-2.1889
80	D	A	-2.7274
81	T	A	-1.9615
82	N	A	-2.6205
83	M	A	-1.3106
84	R	A	-1.6069
85	G	A	0.0000
86	L	A	1.2933
87	P	A	0.3378
88	L	A	0.0391
89	S	A	-0.2160
90	A	A	-0.5465
91	E	A	-2.1574
92	F	A	0.0000
93	T	A	-1.6409
94	T	A	-1.8989