Project name: 6a7fc3d4b1aed9f

Chain sequence(s)	A: GKEITNALSVQMKLGQDINLDIPSFQCSDDIDDIKWEKTSDKKKIAQFRKEKETFKEKDTYELLKNGALKIKHLKTDDQDIYKVSIADTKGKNVLEKIFNLKVII
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:04)

• Minimal score value: -3.8632
• Maximal score value: 1.6403
• Average score: -1.4897
• Total score value: -156.4207

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	G	A	-1.6964
2	K	A	-2.5606
3	E	A	-2.1972
4	I	A	0.3191
5	T	A	-0.4273
6	N	A	-1.5709
7	A	A	-0.4645
8	L	A	0.0158
9	S	A	-0.6465
10	V	A	-1.0037
11	Q	A	-1.8392
12	M	A	-1.2810
13	K	A	-1.5704
14	L	A	-0.9345
15	G	A	-1.5360
16	Q	A	-2.1767
17	D	A	-2.3715
18	I	A	0.0000
19	N	A	-2.2118
20	L	A	0.0000
21	D	A	-2.3397
22	I	A	0.0000
23	P	A	-0.8217
24	S	A	-0.7308
25	F	A	0.0000
26	Q	A	-1.4544
27	C	A	-1.3777
28	S	A	-1.7126
29	D	A	-2.6295
30	D	A	-2.7239
31	I	A	0.0000
32	D	A	-2.5352
33	D	A	-1.4702
34	I	A	0.0000
35	K	A	-1.0674
36	W	A	0.0000
37	E	A	-2.0415
38	K	A	-2.0887
39	T	A	-1.8973
40	S	A	-1.9351
41	D	A	-3.2173
42	K	A	-3.4406
43	K	A	-2.9668
44	K	A	-2.3638
45	I	A	0.0000
46	A	A	0.0000
47	Q	A	-1.2362
48	F	A	-1.3168
49	R	A	-2.4504
50	K	A	-3.3567
51	E	A	-3.5878
52	K	A	-3.8632
53	E	A	-3.2052
54	T	A	-1.7683
55	F	A	-1.2608
56	K	A	-2.5672
57	E	A	-2.7172
58	K	A	-3.5057
59	D	A	-3.4753
60	T	A	-2.7768
61	Y	A	0.0000
62	E	A	-2.6742
63	L	A	-1.0942
64	L	A	-1.3702
65	K	A	-1.9642
66	N	A	-1.8529
67	G	A	0.0000
68	A	A	0.0000
69	L	A	0.0000
70	K	A	-2.0044
71	I	A	0.0000
72	K	A	-3.1682
73	H	A	-2.6041
74	L	A	0.0000
75	K	A	-2.9240
76	T	A	-2.0073
77	D	A	-2.9488
78	D	A	-2.4866
79	Q	A	-2.6229
80	D	A	-1.7153
81	I	A	-0.7097
82	Y	A	0.0000
83	K	A	-1.4240
84	V	A	0.0000
85	S	A	-1.2020
86	I	A	0.0000
87	A	A	-1.8466
88	D	A	0.0000
89	T	A	-2.5402
90	K	A	-2.9013
91	G	A	-2.3766
92	K	A	-2.7988
93	N	A	-2.1410
94	V	A	-0.1854
95	L	A	-0.7395
96	E	A	-1.9616
97	K	A	-1.5067
98	I	A	-0.6935
99	F	A	0.0000
100	N	A	-1.3412
101	L	A	0.0000
102	K	A	-2.1847
103	V	A	0.0000
104	I	A	-0.0158
105	I	A	1.6403