Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWHATFGDPFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVGRHYTVYDSNPLSAIFTT
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -2.9999
• Maximal score value: 1.7815
• Average score: -0.6476
• Total score value: -60.2306

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	1.0592
2	P	A	0.0485
3	A	A	-0.7226
4	P	A	0.0000
5	K	A	-2.0321
6	N	A	-1.6417
7	L	A	-0.2944
8	V	A	1.1339
9	V	A	0.6863
10	S	A	-0.5924
11	R	A	-1.9839
12	V	A	-0.9691
13	T	A	-1.7458
14	E	A	-2.9975
15	D	A	-2.6630
16	S	A	-2.0392
17	A	A	0.0000
18	R	A	-1.1929
19	L	A	0.0000
20	S	A	-0.5568
21	W	A	0.0000
22	H	A	-1.5786
23	A	A	0.0000
24	T	A	0.2110
25	F	A	1.4324
26	G	A	0.2170
27	D	A	-0.2802
28	P	A	-1.2252
29	F	A	0.0000
30	D	A	-2.4661
31	S	A	-1.1794
32	F	A	0.0000
33	L	A	0.6023
34	I	A	0.0000
35	Q	A	0.4275
36	Y	A	0.3506
37	Q	A	-0.8662
38	E	A	-1.7964
39	S	A	-1.5593
40	E	A	-2.3967
41	K	A	-1.8731
42	V	A	0.0650
43	G	A	-0.9430
44	E	A	-1.5910
45	A	A	-0.3324
46	I	A	0.8579
47	V	A	1.6872
48	L	A	1.1896
49	T	A	0.3764
50	V	A	0.0000
51	P	A	-1.1504
52	G	A	-1.2553
53	S	A	-0.9867
54	E	A	-1.4492
55	R	A	-1.2707
56	S	A	-0.8160
57	Y	A	-0.8130
58	D	A	-1.7160
59	L	A	0.0000
60	T	A	-1.3564
61	G	A	-1.4824
62	L	A	0.0000
63	K	A	-2.9999
64	P	A	-2.5517
65	G	A	-1.8825
66	T	A	-2.3124
67	E	A	-2.0790
68	Y	A	0.0000
69	T	A	-0.0322
70	V	A	0.0000
71	S	A	0.2376
72	I	A	0.0000
73	Y	A	-0.1713
74	G	A	0.0000
75	V	A	0.0000
76	G	A	0.0000
77	R	A	-2.4258
78	H	A	-1.4026
79	Y	A	0.1727
80	T	A	-0.2312
81	V	A	0.1745
82	Y	A	-0.0769
83	D	A	-1.6514
84	S	A	-0.8518
85	N	A	-1.5232
86	P	A	-0.9857
87	L	A	-0.4175
88	S	A	0.1213
89	A	A	1.2244
90	I	A	1.7815
91	F	A	0.0000
92	T	A	-0.9073
93	T	A	-1.9699