Project name: test

Chain sequence(s)	A: SDQAAIKKKVEDLALDAYLKGEKTEDPTIKIESVTQNGKTVQILVYYDKFTGAYYGSAFYYDANGNVVYYSVEVSPLDEYTVRLVTRTWDLGPPENLDYTKEPKVEERVIELPRP
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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -3.453
• Maximal score value: 1.9801
• Average score: -0.9794
• Total score value: -112.6367

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	S	A	-1.1069
2	D	A	-2.0242
3	Q	A	-1.5767
4	A	A	-1.4536
5	A	A	-1.5702
6	I	A	0.0000
7	K	A	-2.0850
8	K	A	-2.9690
9	K	A	-2.4111
10	V	A	0.0000
11	E	A	-2.0453
12	D	A	-2.6976
13	L	A	-1.0323
14	A	A	0.0000
15	L	A	-0.6608
16	D	A	-1.0660
17	A	A	0.0000
18	Y	A	-0.4991
19	L	A	0.2015
20	K	A	-1.7393
21	G	A	-1.5275
22	E	A	-2.1501
23	K	A	-3.3308
24	T	A	-2.8843
25	E	A	-3.4530
26	D	A	-3.1398
27	P	A	-2.1217
28	T	A	-0.7497
29	I	A	-0.3782
30	K	A	0.1987
31	I	A	0.7747
32	E	A	-0.5344
33	S	A	-0.5479
34	V	A	-0.7339
35	T	A	-1.3818
36	Q	A	0.0000
37	N	A	-2.3499
38	G	A	-1.9515
39	K	A	-2.0669
40	T	A	-1.3681
41	V	A	0.0000
42	Q	A	-0.6281
43	I	A	0.0000
44	L	A	0.9034
45	V	A	0.0000
46	Y	A	-0.0236
47	Y	A	-1.2041
48	D	A	-1.1733
49	K	A	-1.8635
50	F	A	0.9789
51	T	A	0.2552
52	G	A	-0.5178
53	A	A	0.0000
54	Y	A	0.0000
55	Y	A	0.4463
56	G	A	0.0000
57	S	A	0.4367
58	A	A	0.0000
59	F	A	1.9801
60	Y	A	0.0000
61	Y	A	-0.0522
62	D	A	-1.2195
63	A	A	-1.0026
64	N	A	-1.5022
65	G	A	-0.9407
66	N	A	-1.2061
67	V	A	0.0000
68	V	A	0.4186
69	Y	A	0.7879
70	Y	A	0.0000
71	S	A	0.0293
72	V	A	0.0000
73	E	A	-0.5704
74	V	A	0.0000
75	S	A	-0.0199
76	P	A	-0.1426
77	L	A	0.2994
78	D	A	-2.1924
79	E	A	-2.7008
80	Y	A	-1.6932
81	T	A	-0.9313
82	V	A	0.0000
83	R	A	-0.8296
84	L	A	0.0000
85	V	A	0.0000
86	T	A	-1.6699
87	R	A	-1.4523
88	T	A	-1.1989
89	W	A	-0.8420
90	D	A	-1.4220
91	L	A	0.0000
92	G	A	-1.2611
93	P	A	-1.6102
94	P	A	-1.4653
95	E	A	-2.5525
96	N	A	-2.1027
97	L	A	-1.0480
98	D	A	-1.1872
99	Y	A	0.1474
100	T	A	-0.5521
101	K	A	-2.0905
102	E	A	-2.6670
103	P	A	-2.0571
104	K	A	-2.2993
105	V	A	-1.2095
106	E	A	-2.8170
107	E	A	-3.0812
108	R	A	-2.2740
109	V	A	0.2078
110	I	A	-0.2084
111	E	A	-1.8698
112	L	A	-0.9565
113	P	A	-1.3143
114	R	A	-2.4308
115	P	A	-1.0425