Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWRDLQYHTFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVGRHYTVYDSNPLSAIFTT
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.9672
• Maximal score value: 1.8565
• Average score: -0.7546
• Total score value: -70.1768

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	1.3988
2	P	A	0.3120
3	A	A	-0.3759
4	P	A	-0.8163
5	K	A	-2.1074
6	N	A	-1.8804
7	L	A	-0.2081
8	V	A	1.4054
9	V	A	0.9810
10	S	A	-0.5385
11	R	A	-2.0063
12	V	A	-0.9871
13	T	A	-1.7370
14	E	A	-2.9672
15	D	A	-2.5781
16	S	A	-2.0096
17	A	A	0.0000
18	R	A	-1.1157
19	L	A	0.0000
20	S	A	-0.3328
21	W	A	0.0000
22	R	A	-2.7519
23	D	A	-2.0716
24	L	A	0.0000
25	Q	A	-1.2715
26	Y	A	0.3376
27	H	A	-0.6381
28	T	A	-0.9978
29	F	A	-1.1895
30	D	A	-2.3614
31	S	A	-1.0858
32	F	A	0.0000
33	L	A	0.7243
34	I	A	0.0000
35	Q	A	0.3532
36	Y	A	0.2222
37	Q	A	-1.0665
38	E	A	-2.1023
39	S	A	-1.6234
40	E	A	-2.7818
41	K	A	-2.4589
42	V	A	-0.1448
43	G	A	-1.1232
44	E	A	-1.5849
45	A	A	-0.4345
46	I	A	0.7208
47	V	A	1.4723
48	L	A	1.0981
49	T	A	0.3444
50	V	A	0.0000
51	P	A	-1.1924
52	G	A	-1.5212
53	S	A	-1.4064
54	E	A	-1.8774
55	R	A	-1.7148
56	S	A	-0.9514
57	Y	A	-0.7809
58	D	A	-1.6866
59	L	A	0.0000
60	T	A	-1.3208
61	G	A	-1.4452
62	L	A	0.0000
63	K	A	-2.9663
64	P	A	-2.4948
65	G	A	-1.7836
66	T	A	-2.3789
67	E	A	-1.9010
68	Y	A	0.0000
69	T	A	-0.0569
70	V	A	0.0000
71	S	A	0.1593
72	I	A	0.0000
73	Y	A	-0.1474
74	G	A	0.0000
75	V	A	0.0000
76	G	A	0.0000
77	R	A	-2.3264
78	H	A	-1.3309
79	Y	A	0.2906
80	T	A	0.1061
81	V	A	0.7057
82	Y	A	0.0872
83	D	A	-1.7401
84	S	A	-1.3798
85	N	A	-1.8445
86	P	A	-0.9844
87	L	A	-0.8994
88	S	A	0.0450
89	A	A	1.2729
90	I	A	1.8565
91	F	A	0.0000
92	T	A	-0.7298
93	T	A	-1.8606