Project name: 277a0cb591795d0

Chain sequence(s)	A: PGSPPSRLGGGGSDDDDKLDKIAQKAFVQWLIAGGPSSGAPPPSGKRLDKIAQKAFVQWLIAGGPS
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -4.7059
• Maximal score value: 1.2812
• Average score: -1.0488
• Total score value: -69.2186

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
23	P	A	-0.5968
24	G	A	-0.7630
25	S	A	-0.4458
26	P	A	-0.6797
27	P	A	-0.6957
28	S	A	-1.4633
29	R	A	-2.2314
30	L	A	-0.6641
31	G	A	-0.5333
32	G	A	-0.8946
33	G	A	0.0000
34	G	A	-2.4460
35	S	A	0.0000
36	D	A	-3.9216
37	D	A	-4.4688
38	D	A	-4.7059
39	D	A	-4.5445
40	K	A	-3.9143
41	L	A	0.0000
42	D	A	-1.7114
43	K	A	-2.0380
44	I	A	-1.1736
45	A	A	-1.0040
46	Q	A	-1.7984
47	K	A	-2.1898
48	A	A	-0.8511
49	F	A	-0.5653
50	V	A	-1.0022
51	Q	A	-0.6846
52	W	A	0.9221
53	L	A	0.9373
54	I	A	1.2812
55	A	A	0.6723
56	G	A	0.0265
57	G	A	-0.1844
58	P	A	-0.0279
59	S	A	-0.2773
60	S	A	-0.5491
61	G	A	-0.6243
62	A	A	-0.3593
63	P	A	-0.5938
64	P	A	-0.6183
65	P	A	-1.0798
66	S	A	-1.1270
67	G	A	-0.9364
68	K	A	-2.2628
69	R	A	-2.9258
70	L	A	-1.8176
71	D	A	-2.6282
72	K	A	-1.9147
73	I	A	0.4620
74	A	A	-0.5648
75	Q	A	-1.2835
76	K	A	-1.1125
77	A	A	-0.2310
78	F	A	0.7169
79	V	A	0.0000
80	Q	A	-1.1667
81	W	A	0.1410
82	L	A	0.0000
83	I	A	-0.7222
84	A	A	-0.5121
85	G	A	-0.9009
86	G	A	-1.1901
87	P	A	-1.4689
88	S	A	-1.3113