Project name: sup35-asyn (cluster1)

Chain sequence(s)	A: NNQQNY; 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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -3.5859
• Maximal score value: 3.6216
• Average score: -0.2164
• Total score value: -14.9332

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	N	A	-2.0626
2	N	A	-2.2289
3	Q	A	-3.1558
4	Q	A	-2.1728
5	N	A	-2.0220
6	Y	A	0.4120
37	V	B	3.2057
38	L	B	3.6216
39	Y	B	3.2838
40	V	B	2.9339
41	G	B	0.3549
42	S	B	0.1458
43	K	B	-2.4005
44	T	B	-2.6402
45	K	B	-2.9398
46	E	B	-2.4979
47	G	B	-1.1930
48	V	B	0.1652
49	V	B	1.0409
50	H	B	0.1461
51	G	B	0.1931
52	V	B	1.4870
53	A	B	1.0482
54	T	B	1.2360
55	V	B	1.1498
56	A	B	-0.4357
57	E	B	-2.4045
58	K	B	-3.3626
59	T	B	-2.5277
60	K	B	-3.5307
61	E	B	-3.3347
62	Q	B	-2.0110
63	V	B	0.0791
64	T	B	-0.1192
65	N	B	-0.2757
66	V	B	0.7962
67	G	B	0.0933
68	G	B	0.3486
69	A	B	0.8154
70	V	B	1.7022
71	V	B	2.0320
72	T	B	0.8680
73	G	B	0.5896
74	V	B	1.8322
75	T	B	1.1637
76	A	B	1.2959
77	V	B	1.7558
78	A	B	0.3023
79	Q	B	-1.1632
80	K	B	-1.5530
81	T	B	-0.6664
82	V	B	0.0805
83	E	B	-1.3752
84	G	B	-0.9618
85	A	B	-0.4215
86	G	B	-0.5331
87	S	B	0.2421
88	I	B	1.5540
89	A	B	1.1450
90	A	B	0.7247
91	A	B	0.9088
92	T	B	0.9461
93	G	B	0.9001
94	F	B	2.0278
95	V	B	1.3646
96	K	B	-1.6345
97	K	B	-3.2835
98	D	B	-3.5859
99	Q	B	-2.4318