Project name: csga-abeta (cluster3)

Chain sequence(s)	A: SSQITFNTTQQGDMYTIIPEVTLTQSCLCRVQILSLREGSSGQSQTKQEKTLSLPANQPIALTKLSLNISPDDRVKIVVTVSDGQSLHLSQQWPP; B: LVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A,B
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 all 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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -3.357
• Maximal score value: 2.8007
• Average score: -0.4944
• Total score value: -59.8229

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
3	S	A	0.7571
4	S	A	0.0000
5	Q	A	0.4561
6	I	A	0.0000
7	T	A	0.0000
8	F	A	0.0000
9	N	A	-1.4077
10	T	A	-0.8649
11	T	A	-0.9107
12	Q	A	-2.1202
13	Q	A	-2.3913
14	G	A	-2.2207
15	D	A	-2.7114
16	M	A	-1.8206
17	Y	A	-1.4530
18	T	A	-1.2909
19	I	A	0.0000
20	I	A	-0.7538
21	P	A	0.0000
22	E	A	-0.3724
23	V	A	0.0000
24	T	A	0.0000
25	L	A	0.0000
26	T	A	0.3896
27	Q	A	-0.9193
28	S	A	-0.7613
29	C	A	0.0974
30	L	A	1.1306
31	C	A	0.0000
32	R	A	-1.2683
33	V	A	0.0000
34	Q	A	-2.1152
35	I	A	0.0000
36	L	A	-1.0803
37	S	A	0.0000
38	L	A	-1.2066
39	R	A	0.0000
40	E	A	-2.2424
41	G	A	-2.0226
42	S	A	-1.2961
43	S	A	-1.0488
44	G	A	-1.3024
45	Q	A	-2.1251
46	S	A	-1.4564
47	Q	A	-1.6944
48	T	A	-1.4904
49	K	A	-2.7676
50	Q	A	-3.0769
51	E	A	-3.3570
52	K	A	-2.1051
53	T	A	-0.8044
54	L	A	0.2020
55	S	A	0.4053
56	L	A	0.0000
57	P	A	-0.5215
58	A	A	-0.4685
59	N	A	0.4806
60	Q	A	-0.3091
61	P	A	0.2073
62	I	A	0.2175
63	A	A	-0.1771
64	L	A	-0.2018
65	T	A	-0.8754
66	K	A	-1.7495
67	L	A	0.0000
68	S	A	-0.8984
69	L	A	0.0000
70	N	A	-1.9968
71	I	A	-1.7914
72	S	A	-1.7440
73	P	A	-1.7902
74	D	A	-2.5789
75	D	A	0.0000
76	R	A	-2.7467
77	V	A	-1.8614
78	K	A	-0.8340
79	I	A	0.0000
80	V	A	0.0158
81	V	A	0.0000
82	T	A	-0.4970
83	V	A	0.0000
84	S	A	-1.2803
85	D	A	-1.6847
86	G	A	-1.6800
87	Q	A	-1.9379
88	S	A	-1.2388
89	L	A	-1.0988
90	H	A	-1.0669
91	L	A	0.0000
92	S	A	0.3816
93	Q	A	0.0000
94	Q	A	0.4131
95	W	A	0.0000
96	P	A	0.0000
97	P	A	-0.0008
17	L	B	2.2431
18	V	B	2.7425
19	F	B	1.7815
20	F	B	1.0879
21	A	B	-0.0808
22	E	B	-1.6500
23	D	B	-1.1554
24	V	B	-0.3155
25	G	B	-1.1312
26	S	B	-1.0977
27	N	B	-1.9227
28	K	B	-1.7875
29	G	B	-0.5609
30	A	B	0.4874
31	I	B	2.0273
32	I	B	1.4724
33	G	B	1.2485
34	L	B	2.1388
35	M	B	1.5756
36	V	B	1.6898
37	G	B	0.6218
38	G	B	0.7346
39	V	B	1.4151
40	V	B	2.6239
41	I	B	2.8007
42	A	B	1.5220