Project name: test

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]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -2.9538
• Maximal score value: 0.8646
• Average score: -0.7045
• Total score value: -87.3518

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	-0.5111
2	T	A	-0.5152
3	S	A	-0.3423
4	L	A	0.0000
5	T	A	-0.3895
6	Q	A	0.0000
7	S	A	-0.6502
8	S	A	-1.1517
9	D	A	-1.6984
10	T	A	-0.7604
11	T	A	-0.3971
12	V	A	-0.3756
13	T	A	-0.8917
14	P	A	-1.4100
15	G	A	-0.8313
16	G	A	-0.3614
17	T	A	-0.3459
18	A	A	0.0000
19	T	A	-0.1583
20	F	A	0.0000
21	S	A	0.0029
22	N	A	0.0000
23	T	A	-0.4163
24	V	A	0.0000
25	G	A	-0.7391
26	G	A	-0.9305
27	G	A	-0.7900
28	P	A	-0.5011
29	F	A	0.0000
30	N	A	-0.4313
31	Y	A	0.8646
32	I	A	0.0000
33	T	A	0.0366
34	I	A	0.0000
35	R	A	0.2342
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	K	A	-2.0494
40	K	A	-2.0134
41	P	A	-1.5457
42	N	A	-2.0027
43	G	A	-1.8954
44	P	A	-1.8936
45	E	A	-2.5472
46	E	A	-1.4526
47	F	A	-0.2739
48	L	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	V	A	0.0000
53	P	A	0.0000
54	G	A	-0.2378
55	L	A	0.7790
56	E	A	-1.0529
57	A	A	-0.0430
58	V	A	0.2881
59	N	A	-0.1177
60	L	A	-0.5383
61	N	A	-1.0014
62	P	A	-1.7487
63	E	A	-2.4016
64	Y	A	0.0000
65	N	A	-2.4767
66	G	A	-1.8910
67	R	A	-1.8268
68	V	A	0.0000
69	Q	A	-1.3263
70	V	A	-0.4389
71	S	A	-0.5461
72	S	A	-1.3172
73	D	A	-1.9738
74	K	A	-2.5342
75	S	A	-1.4687
76	T	A	-1.2299
77	K	A	-1.8238
78	S	A	0.0000
79	V	A	0.0000
80	Y	A	0.0718
81	L	A	0.0000
82	T	A	-0.4927
83	I	A	0.0000
84	S	A	-0.7350
85	V	A	0.0000
86	S	A	-1.7723
87	E	A	-2.9538
88	D	A	-2.7273
89	D	A	0.0000
90	T	A	-0.9881
91	A	A	0.0000
92	T	A	-0.6640
93	Y	A	0.0000
94	Y	A	-0.1046
95	A	A	0.0000
96	G	A	0.0000
97	R	A	0.0000
98	D	A	0.0000
99	Q	A	-1.7521
100	D	A	-2.1963
101	V	A	-1.6618
102	E	A	-2.6897
103	N	A	-2.6271
104	N	A	-2.3253
105	T	A	-1.3854
106	K	A	-1.4186
107	F	A	-0.1314
108	G	A	-0.4440
109	S	A	-0.2569
110	T	A	-0.2220
111	V	A	-0.1442
112	A	A	-0.3398
113	V	A	0.3055
114	W	A	0.4297
115	G	A	0.0000
116	Q	A	-0.9941
117	G	A	-0.7031
118	T	A	0.0000
119	L	A	-0.3246
120	L	A	0.0000
121	T	A	-0.4953
122	V	A	-0.9492
123	S	A	-1.0338
124	N	A	-1.5646