Project name: Test2

Chain sequence(s)	A: STSLTQSSDTTVTPGGTATFSNTVGGGPFNYITIRWVRKKPNGPEEFLAGIVPGLEAVNLNPEYNGRVQVSSDKSTKSVYLTISVSEDDTATYYAGRDQDVENNTKFGSTVAVWGQGTLLTVSN
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                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)

• Minimal score value: -3.1723
• Maximal score value: 0.9603
• Average score: -0.74
• Total score value: -91.7611

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	-0.4928
2	T	A	-0.5223
3	S	A	-0.3915
4	L	A	0.0000
5	T	A	-0.4084
6	Q	A	0.0000
7	S	A	-0.6527
8	S	A	-1.1503
9	D	A	-1.6940
10	T	A	-0.7651
11	T	A	-0.4090
12	V	A	-0.3826
13	T	A	-0.9039
14	P	A	-1.4181
15	G	A	-0.8287
16	G	A	-0.3590
17	T	A	-0.3352
18	A	A	0.0000
19	T	A	-0.1617
20	F	A	0.0000
21	S	A	0.0284
22	N	A	0.0000
23	T	A	-0.5499
24	V	A	0.0000
25	G	A	-0.8758
26	G	A	-1.0667
27	G	A	-0.8346
28	P	A	-0.5565
29	F	A	0.0000
30	N	A	-0.3628
31	Y	A	0.9603
32	I	A	0.0000
33	T	A	-0.1534
34	I	A	0.0000
35	R	A	0.1633
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	K	A	-2.0536
40	K	A	-2.0645
41	P	A	-1.5814
42	N	A	-2.0066
43	G	A	-1.8740
44	P	A	-1.8782
45	E	A	-2.5091
46	E	A	-1.5094
47	F	A	-0.5061
48	L	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	V	A	0.6506
53	P	A	0.0000
54	G	A	-0.1891
55	L	A	0.9292
56	E	A	-0.9418
57	A	A	0.2505
58	V	A	0.7576
59	N	A	-0.0006
60	L	A	-0.4903
61	N	A	-0.9887
62	P	A	-1.7870
63	E	A	-2.4226
64	Y	A	0.0000
65	N	A	-2.4652
66	G	A	-1.8362
67	R	A	-1.7914
68	V	A	0.0000
69	Q	A	-1.2824
70	V	A	-0.3706
71	S	A	-0.4772
72	S	A	-1.3275
73	D	A	-2.0630
74	K	A	-2.4943
75	S	A	-1.5065
76	T	A	-1.3680
77	K	A	-2.1414
78	S	A	0.0000
79	V	A	0.0000
80	Y	A	0.0372
81	L	A	0.0000
82	T	A	-0.4884
83	I	A	0.0000
84	S	A	-0.7007
85	V	A	0.0000
86	S	A	-1.7782
87	E	A	-2.9641
88	D	A	-2.7490
89	D	A	0.0000
90	T	A	-1.0090
91	A	A	0.0000
92	T	A	-0.6662
93	Y	A	0.0000
94	Y	A	-0.1274
95	A	A	0.0000
96	G	A	0.0000
97	R	A	-0.4472
98	D	A	0.0000
99	Q	A	-1.7706
100	D	A	-2.6083
101	V	A	-2.2267
102	E	A	-3.1723
103	N	A	-2.9571
104	N	A	-2.7401
105	T	A	-2.0485
106	K	A	-2.1690
107	F	A	-0.3805
108	G	A	-0.5770
109	S	A	-0.7539
110	T	A	-0.4426
111	V	A	-0.1345
112	A	A	-0.1956
113	V	A	0.3999
114	W	A	0.4483
115	G	A	0.0000
116	Q	A	-0.9704
117	G	A	-0.7009
118	T	A	0.0000
119	L	A	-0.3268
120	L	A	0.0000
121	T	A	-0.5069
122	V	A	-0.9660
123	S	A	-1.0413
124	N	A	-1.5655