Project name: Synuclein

Chain sequence(s)	A: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
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]                                                (00:00:00)
[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 A 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                                          (00:02:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:00)

• Minimal score value: -4.0515
• Maximal score value: 3.0562
• Average score: -0.8548
• Total score value: -119.6708

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	M	A	0.8407
2	D	A	0.0838
3	V	A	1.8138
4	F	A	1.9626
5	M	A	0.8057
6	K	A	-0.8530
7	G	A	-0.6581
8	L	A	-0.3578
9	S	A	-1.8919
10	K	A	-2.7982
11	A	A	-1.6857
12	K	A	-1.9480
13	E	A	-2.1535
14	G	A	-0.6656
15	V	A	0.9282
16	V	A	0.8509
17	A	A	-0.5522
18	A	A	-0.8480
19	A	A	-1.1231
20	E	A	-2.9638
21	K	A	-3.2229
22	T	A	-2.1466
23	K	A	-3.3185
24	Q	A	-3.2108
25	G	A	-1.9338
26	V	A	-0.3219
27	A	A	-1.4315
28	E	A	-2.5943
29	A	A	-1.4519
30	A	A	-1.4590
31	G	A	-2.4675
32	K	A	-3.0327
33	T	A	-2.0449
34	K	A	-2.5502
35	E	A	-1.4056
36	G	A	-0.3021
37	V	A	1.6739
38	L	A	2.1494
39	Y	A	2.0180
40	V	A	0.6298
41	G	A	-0.5366
42	S	A	-1.1458
43	K	A	-2.0404
44	T	A	-1.7482
45	K	A	-2.4359
46	E	A	-2.3911
47	G	A	-1.2998
48	V	A	0.5007
49	V	A	0.9630
50	H	A	0.0520
51	G	A	0.9342
52	V	A	2.5242
53	A	A	0.9716
54	T	A	0.4435
55	V	A	0.8150
56	A	A	-0.7904
57	E	A	-2.8842
58	K	A	-3.3661
59	T	A	-2.4563
60	K	A	-3.7033
61	E	A	-4.0515
62	Q	A	-2.9068
63	V	A	-0.5868
64	T	A	-1.6016
65	N	A	-1.5481
66	V	A	0.5837
67	G	A	0.4582
68	G	A	0.6836
69	A	A	1.5849
70	V	A	3.0562
71	V	A	3.0367
72	T	A	1.9625
73	G	A	2.1551
74	V	A	2.9616
75	T	A	1.4555
76	A	A	0.9194
77	V	A	1.3303
78	A	A	0.3225
79	Q	A	-1.1702
80	K	A	-1.5492
81	T	A	-0.6799
82	V	A	0.0319
83	E	A	-1.7249
84	G	A	-0.9811
85	A	A	0.0946
86	G	A	-0.1830
87	S	A	0.3206
88	I	A	1.4864
89	A	A	0.9228
90	A	A	1.2356
91	A	A	1.2745
92	T	A	1.0202
93	G	A	0.9125
94	F	A	1.8629
95	V	A	1.1823
96	K	A	-1.7131
97	K	A	-2.7409
98	D	A	-3.0747
99	Q	A	-2.2090
100	L	A	-0.6707
101	G	A	-1.6529
102	K	A	-2.9237
103	N	A	-3.5657
104	E	A	-3.8963
105	E	A	-3.7178
106	G	A	-2.2185
107	A	A	-1.7389
108	P	A	-1.8909
109	Q	A	-2.4855
110	E	A	-2.4456
111	G	A	-0.7328
112	I	A	1.3057
113	L	A	0.6626
114	E	A	-1.3292
115	D	A	-0.8255
116	M	A	0.4695
117	P	A	0.0503
118	V	A	0.1012
119	D	A	-2.1865
120	P	A	-2.3665
121	D	A	-3.0072
122	N	A	-2.6697
123	E	A	-2.7004
124	A	A	-1.2631
125	Y	A	-0.3340
126	E	A	-2.0128
127	M	A	-0.8401
128	P	A	-1.2946
129	S	A	-1.6610
130	E	A	-2.7938
131	E	A	-2.7542
132	G	A	-2.0398
133	Y	A	-0.6750
134	Q	A	-1.8112
135	D	A	-2.2074
136	Y	A	-1.0889
137	E	A	-2.3465
138	P	A	-1.8129
139	E	A	-2.0778
140	A	A	-1.1262