Project name: fapc-asyn (cluster1)

Chain sequence(s)	A: AAGAGNQQSNTLTLG; B: VLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQ
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]                                                (00:00:01)
[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 all 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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -3.65
• Maximal score value: 3.7251
• Average score: -0.0956
• Total score value: -7.4564

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	A	A	-0.5116
2	A	A	0.1487
3	G	A	0.2404
4	A	A	-0.1833
5	G	A	-0.9466
6	N	A	-1.9442
7	Q	A	-1.9215
8	Q	A	-1.5386
9	S	A	-1.2358
10	N	A	-1.0930
11	T	A	-0.2034
12	L	A	0.9646
13	T	A	1.9580
14	L	A	3.0120
15	G	A	2.0925
37	V	B	3.3174
38	L	B	3.7251
39	Y	B	3.6790
40	V	B	3.2113
41	G	B	1.0831
42	S	B	0.5635
43	K	B	-1.4606
44	T	B	-1.0472
45	K	B	-1.2741
46	E	B	-1.4869
47	G	B	-1.0116
48	V	B	-0.2261
49	V	B	-0.5953
50	H	B	-1.0168
51	G	B	-0.8664
52	V	B	-0.0480
53	A	B	0.3428
54	T	B	0.5717
55	V	B	0.8702
56	A	B	-0.6209
57	E	B	-2.3567
58	K	B	-3.3304
59	T	B	-2.5248
60	K	B	-3.6500
61	E	B	-3.3729
62	Q	B	-2.0842
63	V	B	0.0802
64	T	B	-0.1893
65	N	B	-0.2856
66	V	B	0.7583
67	G	B	0.1054
68	G	B	0.2999
69	A	B	0.7830
70	V	B	1.6460
71	V	B	1.8931
72	T	B	0.9350
73	G	B	0.4234
74	V	B	1.5746
75	T	B	0.9666
76	A	B	0.4784
77	V	B	1.3407
78	A	B	0.0325
79	Q	B	-0.9114
80	K	B	-1.7103
81	T	B	-0.8649
82	V	B	0.1991
83	E	B	-1.2251
84	G	B	-1.0305
85	A	B	-0.5250
86	G	B	-0.5610
87	S	B	0.2403
88	I	B	1.5794
89	A	B	1.3271
90	A	B	0.7383
91	A	B	0.9167
92	T	B	0.8019
93	G	B	1.0324
94	F	B	2.0228
95	V	B	1.3737
96	K	B	-1.6288
97	K	B	-3.2845
98	D	B	-3.5852
99	Q	B	-2.4330