Project name: EV_CACNG1

Chain sequence(s)	E: AVLSPHCEAAHFGLWRICTKRGEKNCSYF
Selected Chain(s)	E
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	Yes

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with E chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:38)
[INFO]       Auto_mut: Residue number 83 from chain E and a score of 2.559 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 82 from chain E and a score of 2.192 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 51 from chain E and a score of 2.178 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 53 from chain E and a score of 2.028 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 34 from chain E and a score of 1.920 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 54 from chain E and a score of 1.690 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 33 from chain E and a score of 1.218 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 52 from chain E and a score of 1.072 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 35 from chain E and a score of 0.558 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 81 from chain E and a score of 0.394 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 50 from chain E and a score of 0.197 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 55 from chain E and a score of 0.188 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 49 from chain E and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[INFO]       Auto_mut: Residue number 56 from chain E and a score of 0.000 omitted from automated  
                       muatation (excluded by the user).                                           (00:00:39)
[CRITICAL]   Auto_mut: Couldn't find residues suitable for automated mutations (exceeding a        
                       threshold of -0.20). No automated mutations performed.                      (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -4.2245
• Maximal score value: 2.5589
• Average score: -0.6949
• Total score value: -20.1522

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
33	A	E	1.2181
34	V	E	1.9198
35	L	E	0.5584
36	S	E	-0.6354
37	P	E	-0.8208
38	H	E	-1.2907
46	C	E	-1.7789
47	E	E	-3.1218
48	A	E	-1.8324
49	A	E	0.0000
50	H	E	0.1971
51	F	E	2.1783
52	G	E	1.0723
53	L	E	2.0283
54	W	E	1.6905
55	R	E	0.1884
56	I	E	0.0000
57	C	E	-0.7994
58	T	E	-2.4951
59	K	E	-4.1269
60	R	E	-3.9645
76	G	E	-2.6251
77	E	E	-4.1754
78	K	E	-4.2245
79	N	E	-3.1692
80	C	E	-1.2879
81	S	E	0.3936
82	Y	E	2.1921
83	F	E	2.5589