Project name: 8cda9123e1327ea

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVFFYVITYGETGHGVGAFQAFKVPGSKSTATISGLKPGVDYTITVYARGYSKQGPYKPSPISINYRT
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -2.6232
• Maximal score value: 2.1495
• Average score: -0.4418
• Total score value: -41.9744

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	V	A	1.7949
2	S	A	0.7219
3	S	A	0.0000
4	V	A	0.2569
5	P	A	0.0000
6	T	A	-1.5058
7	K	A	-2.5730
8	L	A	0.0000
9	E	A	-1.8977
10	V	A	0.1517
11	V	A	1.5733
12	A	A	0.9309
13	A	A	0.3210
14	T	A	-0.1573
15	P	A	-1.0801
16	T	A	-0.9679
17	S	A	-0.4990
18	L	A	0.0000
19	L	A	0.8287
20	I	A	0.0000
21	S	A	-0.9513
22	W	A	0.0000
23	D	A	-2.6144
24	A	A	-1.2236
25	P	A	0.0391
26	A	A	0.3569
27	V	A	1.0350
28	T	A	0.8191
29	V	A	1.3083
30	F	A	2.1495
31	F	A	0.6934
32	Y	A	0.0000
33	V	A	-0.2384
34	I	A	0.0000
35	T	A	0.0116
36	Y	A	-0.0005
37	G	A	0.0000
38	E	A	-1.5565
39	T	A	-1.2847
40	G	A	-1.1212
41	H	A	-1.1882
42	G	A	-0.3461
43	V	A	1.0027
44	G	A	0.0565
45	A	A	-0.1831
46	F	A	0.0405
47	Q	A	-0.5538
48	A	A	-0.3561
49	F	A	-0.3938
50	K	A	-1.0764
51	V	A	0.0000
52	P	A	-0.4747
53	G	A	0.0202
54	S	A	-0.6641
55	K	A	-2.0162
56	S	A	-1.4578
57	T	A	-0.7234
58	A	A	0.0000
59	T	A	0.1189
60	I	A	0.0000
61	S	A	-0.6412
62	G	A	-1.0246
63	L	A	0.0000
64	K	A	-2.3505
65	P	A	-1.6071
66	G	A	-1.3270
67	V	A	-1.4782
68	D	A	-2.3689
69	Y	A	0.0000
70	T	A	-1.0878
71	I	A	0.0000
72	T	A	0.0487
73	V	A	0.0000
74	Y	A	0.0474
75	A	A	0.0000
76	R	A	0.4113
77	G	A	0.0000
78	Y	A	0.7083
79	S	A	-0.6476
80	K	A	-2.0473
81	Q	A	-1.8675
82	G	A	-1.0948
83	P	A	-0.6432
84	Y	A	-0.7418
85	K	A	-1.5718
86	P	A	-0.8371
87	S	A	-0.3787
88	P	A	-0.0802
89	I	A	0.1738
90	S	A	-0.5294
91	I	A	-0.6924
92	N	A	-1.8070
93	Y	A	-1.4970
94	R	A	-2.6232
95	T	A	-1.5455