Project name: WT_1X69

Chain sequence(s)	A: GSSGSSGTYDEYENDLGITAVALYDYQAAGDDEISFDPDDIITNIEMIDDGWWRGVCKGRYGLFPANYVELRQSGPSSG
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -2.9812
• Maximal score value: 0.418
• Average score: -0.9734
• Total score value: -76.8954

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	G	A	-0.6144
2	S	A	-0.6387
3	S	A	-0.7281
4	G	A	-0.8525
5	S	A	-0.7470
6	S	A	-0.8944
7	G	A	-0.7044
8	T	A	-0.3131
9	Y	A	-0.0966
10	D	A	-2.0379
11	E	A	-2.1919
12	Y	A	-1.2247
13	E	A	-2.7066
14	N	A	-2.6168
15	D	A	-2.2148
16	L	A	-0.2174
17	G	A	-0.5462
18	I	A	0.2127
19	T	A	-0.0537
20	A	A	0.0000
21	V	A	-0.6780
22	A	A	0.0000
23	L	A	-0.1624
24	Y	A	0.0185
25	D	A	-2.1278
26	Y	A	-1.2622
27	Q	A	-1.8651
28	A	A	-1.4469
29	A	A	-1.1790
30	G	A	-1.9956
31	D	A	-2.9812
32	D	A	-2.9034
33	E	A	-1.9943
34	I	A	0.0000
35	S	A	-1.8678
36	F	A	0.0000
37	D	A	-2.7478
38	P	A	-1.5196
39	D	A	-1.8711
40	D	A	-1.0259
41	I	A	0.4180
42	I	A	0.0000
43	T	A	0.2527
44	N	A	-0.2512
45	I	A	0.0000
46	E	A	-0.8187
47	M	A	0.2027
48	I	A	0.3440
49	D	A	-1.5103
50	D	A	-2.0955
51	G	A	-1.3283
52	W	A	-0.6821
53	W	A	0.0000
54	R	A	-0.6499
55	G	A	0.0000
56	V	A	-0.1062
57	C	A	0.0000
58	K	A	-2.2088
59	G	A	-1.7705
60	R	A	-2.3185
61	Y	A	-0.7942
62	G	A	0.0000
63	L	A	-0.6497
64	F	A	0.0000
65	P	A	0.0000
66	A	A	-0.9694
67	N	A	-1.1596
68	Y	A	-0.2053
69	V	A	0.0000
70	E	A	-1.8653
71	L	A	-1.3849
72	R	A	-2.2253
73	Q	A	-2.3732
74	S	A	-1.5537
75	G	A	-1.1671
76	P	A	-0.9671
77	S	A	-0.6984
78	S	A	-0.7016
79	G	A	-0.8619