Project name: query_structure

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

• Minimal score value: -3.025
• Maximal score value: 1.8184
• Average score: -0.6837
• Total score value: -62.9036

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	1.3999
2	P	A	0.2592
3	A	A	0.1336
4	P	A	-0.8645
5	K	A	-1.9994
6	N	A	-1.1434
7	L	A	0.3207
8	V	A	1.7201
9	V	A	0.9612
10	S	A	-0.5522
11	R	A	-2.0154
12	V	A	-1.0164
13	T	A	-1.7623
14	E	A	-3.0032
15	D	A	-2.6738
16	S	A	-2.0573
17	A	A	0.0000
18	R	A	-1.1358
19	L	A	0.0000
20	S	A	-0.0271
21	W	A	0.0000
22	A	A	-0.7226
23	F	A	-0.6205
24	Q	A	-1.1577
25	W	A	0.1310
26	H	A	-0.5621
27	I	A	-0.1942
28	F	A	0.0000
29	D	A	-2.3724
30	S	A	-1.0639
31	F	A	0.0000
32	L	A	0.6832
33	I	A	0.0000
34	Q	A	0.4360
35	Y	A	0.3028
36	Q	A	-1.0349
37	E	A	-2.1624
38	S	A	-1.6961
39	E	A	-2.8331
40	K	A	-2.4791
41	V	A	-0.1272
42	G	A	-1.1006
43	E	A	-1.5605
44	A	A	-0.3746
45	I	A	0.7979
46	V	A	1.5951
47	L	A	1.1908
48	T	A	0.3732
49	V	A	0.0000
50	P	A	-1.2856
51	G	A	-1.4201
52	S	A	-1.3034
53	E	A	-1.9012
54	R	A	-1.4929
55	S	A	-0.8661
56	Y	A	-0.8697
57	D	A	-1.7216
58	L	A	0.0000
59	T	A	-1.3505
60	G	A	-1.6194
61	L	A	0.0000
62	K	A	-3.0250
63	P	A	-2.5276
64	G	A	-1.8513
65	T	A	-2.5349
66	E	A	-2.2136
67	Y	A	0.0000
68	T	A	-0.0944
69	V	A	0.0000
70	S	A	-0.0224
71	I	A	0.0000
72	Y	A	-0.2622
73	G	A	0.0000
74	V	A	0.0000
75	G	A	0.0000
76	R	A	-2.2554
77	H	A	-1.3879
78	Y	A	0.2133
79	T	A	-0.0192
80	V	A	0.4483
81	Y	A	0.0021
82	D	A	-1.7902
83	S	A	-1.3885
84	N	A	-1.8432
85	P	A	-1.0486
86	L	A	0.0000
87	S	A	0.1369
88	A	A	1.3945
89	I	A	1.8184
90	F	A	0.0000
91	T	A	-0.8704
92	T	A	-1.9438