Project name: SNCA_test

Chain sequence(s)	A: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No
Mutated residues	AT53A
Energy difference between WT (input) and mutated protein (by FoldX)	0.816376 kcal/mol

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 minimization                                          (00:00:02)
[INFO]       FoldX:    Building mutant model                                                       (00:03:39)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:03:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:43)

• Minimal score value: -2.3812
• Maximal score value: 2.3919
• Average score: -0.3475
• Total score value: -48.6533

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	M	A	0.7267
2	D	A	-1.2730
3	V	A	1.7999
4	F	A	2.3919
5	M	A	0.8088
6	K	A	-1.6424
7	G	A	-0.5763
8	L	A	0.6230
9	S	A	-0.2977
10	K	A	-1.7088
11	A	A	-0.5522
12	K	A	-1.9521
13	E	A	-2.1809
14	G	A	-0.3562
15	V	A	2.0324
16	V	A	2.1031
17	A	A	0.3216
18	A	A	0.0482
19	A	A	-0.1301
20	E	A	-2.1265
21	K	A	-2.1661
22	T	A	-0.6891
23	K	A	-1.9314
24	Q	A	-1.7545
25	G	A	-0.3044
26	V	A	1.7090
27	A	A	0.0336
28	E	A	-1.8069
29	A	A	-0.2877
30	A	A	-0.0118
31	G	A	-0.8550
32	K	A	-1.7790
33	T	A	-0.7427
34	K	A	-1.9705
35	E	A	-1.4289
36	G	A	-0.3696
37	V	A	1.9693
38	L	A	1.9814
39	Y	A	1.6884
40	V	A	0.6563
41	G	A	-0.4136
42	S	A	-0.6064
43	K	A	-1.7440
44	T	A	-0.6758
45	K	A	-2.0374
46	E	A	-2.1798
47	G	A	-0.3280
48	V	A	1.6734
49	V	A	1.2736
50	H	A	-0.8236
51	G	A	0.0830
52	V	A	1.7194
53	T	A	0.1356	mutated: AT53A
54	T	A	0.2395
55	V	A	1.7650
56	A	A	0.0196
57	E	A	-2.1250
58	K	A	-2.0405
59	T	A	-0.6662
60	K	A	-2.0402
61	E	A	-2.3485
62	Q	A	-1.2862
63	V	A	1.1065
64	T	A	-0.0767
65	N	A	-1.1372
66	V	A	0.5596
67	G	A	-0.0924
68	G	A	-0.4437
69	A	A	0.3804
70	V	A	2.0775
71	V	A	2.0829
72	T	A	0.2069
73	G	A	0.2404
74	V	A	1.7140
75	T	A	0.2627
76	A	A	0.3378
77	V	A	1.5849
78	A	A	0.1464
79	Q	A	-1.4998
80	K	A	-1.7213
81	T	A	-0.0575
82	V	A	1.4278
83	E	A	-1.5505
84	G	A	-0.6231
85	A	A	-0.1087
86	G	A	-0.4997
87	S	A	0.0696
88	I	A	1.9843
89	A	A	0.4364
90	A	A	0.0280
91	A	A	0.0562
92	T	A	-0.1454
93	G	A	-0.1177
94	F	A	2.1792
95	V	A	1.8180
96	K	A	-1.6873
97	K	A	-2.3339
98	D	A	-2.3159
99	Q	A	-1.2453
100	L	A	1.2472
101	G	A	-0.4959
102	K	A	-2.0162
103	N	A	-1.9143
104	E	A	-2.3812
105	E	A	-2.2333
106	G	A	-0.7863
107	A	A	-0.0726
108	P	A	-0.4625
109	Q	A	-1.5759
110	E	A	-2.0906
111	G	A	-0.2533
112	I	A	2.1780
113	L	A	1.2329
114	E	A	-1.7477
115	D	A	-0.9462
116	M	A	0.8618
117	P	A	0.2561
118	V	A	1.4012
119	D	A	-1.7000
120	P	A	-0.8994
121	D	A	-1.9590
122	N	A	-1.3316
123	E	A	-2.1182
124	A	A	-0.0456
125	Y	A	0.9927
126	E	A	-1.3890
127	M	A	0.6769
128	P	A	-0.1069
129	S	A	-0.5863
130	E	A	-2.1858
131	E	A	-2.2327
132	G	A	-0.5593
133	Y	A	1.0138
134	Q	A	-1.2870
135	D	A	-1.7684
136	Y	A	0.6582
137	E	A	-1.6260
138	P	A	-0.9103
139	E	A	-1.8558
140	A	A	-0.2719