Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSLRLSWDDPRGFYESFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVHNVYKDTNMRGLPLSAEFTT
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -2.9572
• Maximal score value: 1.2285
• Average score: -0.9886
• Total score value: -92.9304

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	0.7183
2	P	A	0.1345
3	A	A	-0.0870
4	P	A	0.0000
5	K	A	-1.9858
6	N	A	-1.3915
7	L	A	-0.1408
8	V	A	0.9655
9	V	A	0.1019
10	S	A	-0.6793
11	E	A	-1.8554
12	V	A	-0.9224
13	T	A	-1.5319
14	E	A	-2.7755
15	D	A	-2.7051
16	S	A	-2.1370
17	L	A	0.0000
18	R	A	-1.6341
19	L	A	0.0000
20	S	A	-0.6658
21	W	A	0.0000
22	D	A	-2.2051
23	D	A	0.0000
24	P	A	-1.5192
25	R	A	-1.7738
26	G	A	-0.9870
27	F	A	0.3614
28	Y	A	0.0000
29	E	A	-1.4977
30	S	A	-1.2003
31	F	A	0.0000
32	L	A	-0.3385
33	I	A	0.0000
34	Q	A	-0.5495
35	Y	A	-0.6078
36	Q	A	-1.4627
37	E	A	-2.0763
38	S	A	-2.0585
39	E	A	-2.5016
40	K	A	-1.7965
41	V	A	0.0816
42	G	A	-0.9022
43	E	A	-2.0400
44	A	A	-0.9322
45	I	A	-0.3965
46	N	A	-0.9873
47	L	A	-0.1036
48	T	A	-0.2044
49	V	A	0.0000
50	P	A	-0.9849
51	G	A	-0.9889
52	S	A	-1.2455
53	E	A	-1.6601
54	R	A	-1.3803
55	S	A	-1.0270
56	Y	A	-1.0889
57	D	A	-2.1386
58	L	A	0.0000
59	T	A	-1.4927
60	G	A	-1.4820
61	L	A	0.0000
62	K	A	-2.9572
63	P	A	-2.5026
64	G	A	-1.8560
65	T	A	-2.2025
66	E	A	-2.7593
67	Y	A	0.0000
68	T	A	-1.4589
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	-0.9321
75	H	A	-1.1493
76	N	A	-2.3471
77	V	A	-1.0598
78	Y	A	-0.3413
79	K	A	-2.2915
80	D	A	-2.8027
81	T	A	-2.0485
82	N	A	-2.6224
83	M	A	-1.5236
84	R	A	-1.5862
85	G	A	0.0202
86	L	A	1.2285
87	P	A	0.3699
88	L	A	0.1252
89	S	A	-0.2151
90	A	A	-0.5505
91	E	A	-2.1576
92	F	A	0.0000
93	T	A	-1.6381
94	T	A	-1.8939