Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSLRLSWTYDRDGYDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVHNVYKDTNMRGLPLSAEFTT
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -3.5317
• Maximal score value: 1.31
• Average score: -1.1244
• Total score value: -105.6939

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	0.6091
2	P	A	-0.1567
3	A	A	-0.1380
4	P	A	0.0000
5	K	A	-2.2658
6	N	A	-1.3256
7	L	A	-0.1320
8	V	A	0.8983
9	V	A	0.0923
10	S	A	-0.6413
11	E	A	-1.7926
12	V	A	-0.9163
13	T	A	-1.7435
14	E	A	-2.8344
15	D	A	-2.8200
16	S	A	-2.1271
17	L	A	0.0000
18	R	A	-1.4243
19	L	A	0.0000
20	S	A	-0.4845
21	W	A	0.0000
22	T	A	-1.6381
23	Y	A	-2.4718
24	D	A	-3.3422
25	R	A	-3.5317
26	D	A	-3.4420
27	G	A	-2.5046
28	Y	A	0.0000
29	D	A	-2.7556
30	S	A	-1.8265
31	F	A	0.0000
32	L	A	-0.3760
33	I	A	0.0000
34	Q	A	-0.5230
35	Y	A	-0.6477
36	Q	A	-1.5542
37	E	A	-2.2395
38	S	A	-2.1502
39	E	A	-2.6155
40	K	A	-1.9945
41	V	A	-0.0307
42	G	A	-0.9491
43	E	A	-2.1034
44	A	A	-0.9846
45	I	A	-0.4368
46	N	A	-1.0167
47	L	A	-0.1237
48	T	A	-0.1903
49	V	A	0.0000
50	P	A	-1.1805
51	G	A	-1.7679
52	S	A	-1.5636
53	E	A	-1.4399
54	R	A	-1.1281
55	S	A	-0.8002
56	Y	A	-0.8704
57	D	A	-1.7995
58	L	A	0.0000
59	T	A	-1.4389
60	G	A	-1.5254
61	L	A	0.0000
62	K	A	-3.0058
63	P	A	-2.5356
64	G	A	-1.8459
65	T	A	-2.2364
66	E	A	-2.7451
67	Y	A	0.0000
68	T	A	-1.4767
69	V	A	0.0000
70	S	A	0.0000
71	I	A	0.0000
72	Y	A	0.1813
73	G	A	0.0000
74	V	A	0.0000
75	H	A	-1.7684
76	N	A	-2.4681
77	V	A	-0.6214
78	Y	A	-0.1356
79	K	A	-2.1839
80	D	A	-2.6729
81	T	A	-1.8982
82	N	A	-2.5342
83	M	A	-1.1622
84	R	A	-1.5376
85	G	A	0.1591
86	L	A	1.3100
87	P	A	0.3944
88	L	A	0.0274
89	S	A	-0.4020
90	A	A	-0.6814
91	E	A	-2.1569
92	F	A	0.0000
93	T	A	-1.6333
94	T	A	-1.8993