Project name: d2bc0d23ae6f053

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

• Minimal score value: -2.5088
• Maximal score value: 4.1662
• Average score: 1.0117
• Total score value: 102.1828

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
19	S	A	1.2483
20	V	A	2.6749
21	L	A	2.4020
22	G	A	1.5086
23	L	A	2.1492
24	G	A	0.7603
25	G	A	0.2641
26	S	A	0.5440
27	A	A	1.6234
28	V	A	3.6980
29	L	A	4.1662
30	V	A	3.6692
31	G	A	1.3481
32	P	A	-0.0765
33	G	A	-0.8214
34	N	A	-1.2670
35	P	A	-0.8390
36	G	A	0.1491
37	A	A	1.5220
38	V	A	3.3284
39	V	A	2.6681
40	K	A	-0.3071
41	G	A	-0.9336
42	P	A	-0.9941
43	A	A	-1.2973
44	A	A	-0.8466
45	A	A	-0.9588
46	G	A	-0.2637
47	S	A	1.5514
48	V	A	3.3961
49	I	A	3.3381
50	G	A	1.0838
51	P	A	-0.5231
52	D	A	-1.6738
53	G	A	-0.1648
54	S	A	1.1222
55	V	A	3.3539
56	V	A	3.2603
57	S	A	1.2597
58	G	A	-0.4344
59	G	A	-1.4651
60	G	A	-1.7342
61	D	A	-2.5088
62	T	A	-1.8657
63	G	A	-0.9827
64	G	A	0.6010
65	I	A	3.1747
66	V	A	3.4039
67	A	A	2.0369
68	G	A	0.6512
69	P	A	0.0233
70	I	A	0.8811
71	P	A	0.2111
72	G	A	0.5012
73	G	A	1.4889
74	V	A	3.7819
75	V	A	3.8665
76	T	A	2.3179
77	G	A	1.0876
78	A	A	0.8659
79	V	A	1.5949
80	A	A	0.6668
81	P	A	0.3534
82	G	A	-0.0308
83	G	A	0.4717
84	I	A	2.1090
85	A	A	1.4336
86	V	A	1.7502
87	G	A	-0.0082
88	H	A	-0.8889
89	G	A	-0.7441
90	G	A	-0.2638
91	L	A	1.1777
92	G	A	0.8722
93	L	A	1.7207
94	G	A	1.1250
95	L	A	1.7067
96	G	A	1.1212
97	L	A	1.7275
98	G	A	0.8725
99	L	A	1.5369
100	G	A	0.8693
101	G	A	1.2034
102	I	A	2.7045
103	V	A	2.4287
104	A	A	1.4962
105	P	A	1.0146
106	G	A	1.2547
107	I	A	2.5742
108	V	A	2.4631
109	A	A	1.4608
110	P	A	0.9414
111	G	A	1.2939
112	V	A	2.7309
113	V	A	3.0171
114	L	A	2.3668
115	G	A	0.5007
116	G	A	-0.4887
117	H	A	-1.0943
118	G	A	-0.5529
119	W	A	0.6694