Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWHTATNSFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVDVDYNPTGRPVSSNPLSAIFTT
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.                                          (00:00:56)

• Minimal score value: -3.0281
• Maximal score value: 1.8151
• Average score: -0.7435
• Total score value: -71.3807

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	0.3805
2	P	A	-0.3762
3	A	A	-0.8357
4	P	A	0.0000
5	K	A	-1.9034
6	N	A	-1.5804
7	L	A	-0.2724
8	V	A	1.0871
9	V	A	0.6698
10	S	A	-0.6007
11	R	A	-2.0003
12	V	A	-0.9878
13	T	A	-1.7648
14	E	A	-3.0281
15	D	A	-2.6705
16	S	A	-2.0368
17	A	A	0.0000
18	R	A	-1.1840
19	L	A	0.0000
20	S	A	-0.5005
21	W	A	0.0000
22	H	A	-1.8703
23	T	A	-1.3893
24	A	A	-0.6833
25	T	A	-0.7617
26	N	A	-1.8600
27	S	A	-1.2186
28	F	A	0.0000
29	D	A	-2.1860
30	S	A	-1.0115
31	F	A	0.0000
32	L	A	0.7321
33	I	A	0.0000
34	Q	A	0.5196
35	Y	A	0.3818
36	Q	A	-0.8741
37	E	A	-1.8398
38	S	A	-1.5254
39	E	A	-2.7107
40	K	A	-2.3575
41	V	A	-0.0934
42	G	A	-1.0637
43	E	A	-1.5276
44	A	A	-0.3320
45	I	A	0.8894
46	V	A	1.6429
47	L	A	1.2848
48	T	A	0.4902
49	V	A	0.0000
50	P	A	-1.1085
51	G	A	0.0000
52	S	A	-1.5152
53	E	A	-1.7942
54	R	A	-1.1985
55	S	A	-0.7804
56	Y	A	-0.7344
57	D	A	-1.6555
58	L	A	0.0000
59	T	A	-1.4146
60	G	A	-1.4830
61	L	A	0.0000
62	K	A	-3.0084
63	P	A	-2.6041
64	G	A	-1.8665
65	T	A	-2.2360
66	E	A	-1.9758
67	Y	A	0.0000
68	T	A	0.0147
69	V	A	0.0000
70	S	A	0.2618
71	I	A	0.0000
72	Y	A	0.0224
73	G	A	0.0000
74	V	A	-0.2424
75	D	A	-0.7194
76	V	A	-0.7740
77	D	A	-1.6313
78	Y	A	-0.0863
79	N	A	-0.9776
80	P	A	-0.9181
81	T	A	-1.1338
82	G	A	-1.5764
83	R	A	-2.1226
84	P	A	-1.0346
85	V	A	-0.0674
86	S	A	-0.0420
87	S	A	0.0000
88	N	A	-1.1828
89	P	A	-0.7211
90	L	A	-0.5305
91	S	A	0.1360
92	A	A	1.1880
93	I	A	1.8151
94	F	A	0.0000
95	T	A	-0.7952
96	T	A	-1.9198