Project name: query_structure

Chain sequence(s)	A: CGADQFRCGNGSCVPRAWRCDGVDDCGDGSDEAPEICETPTCQSNEFRCRSGRCIPQHWLCDGLNDCGDGSDESQQCSAPASEPPGSLSL
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -3.195
• Maximal score value: 1.7929
• Average score: -1.3159
• Total score value: -118.4266

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	C	A	-0.2643
2	G	A	-0.9785
3	A	A	-1.0810
4	D	A	-2.4101
5	Q	A	-1.8839
6	F	A	-1.6155
7	R	A	-2.4172
8	C	A	0.0000
9	G	A	-2.0879
10	N	A	-2.5595
11	G	A	-1.7685
12	S	A	-1.4074
13	C	A	-1.0087
14	V	A	0.0000
15	P	A	-1.3315
16	R	A	-2.1118
17	A	A	-0.9873
18	W	A	-0.7141
19	R	A	-1.3918
20	C	A	-0.9707
21	D	A	-1.6699
22	G	A	-0.8656
23	V	A	-0.1033
24	D	A	-2.2094
25	D	A	-1.7217
26	C	A	0.0000
27	G	A	-2.2375
28	D	A	-3.1151
29	G	A	-2.1187
30	S	A	-2.1610
31	D	A	0.0000
32	E	A	-1.6697
33	A	A	-1.5876
34	P	A	-1.6392
35	E	A	-2.3045
36	I	A	-1.0106
37	C	A	-1.4253
38	E	A	-2.3409
39	T	A	-1.6031
40	P	A	-1.6318
41	T	A	-1.0775
42	C	A	0.0000
43	Q	A	-2.0032
44	S	A	-1.4242
45	N	A	-1.9543
46	E	A	-2.1432
47	F	A	-1.7799
48	R	A	-2.8072
49	C	A	0.0000
50	R	A	-3.1950
51	S	A	-2.5965
52	G	A	-2.6024
53	R	A	-2.9276
54	C	A	-2.0652
55	I	A	0.0000
56	P	A	-1.3384
57	Q	A	-2.0447
58	H	A	-1.5509
59	W	A	-0.5601
60	L	A	-0.8008
61	C	A	-1.0581
62	D	A	-1.6873
63	G	A	-0.7521
64	L	A	0.1079
65	N	A	-1.5540
66	D	A	-1.3178
67	C	A	0.0000
68	G	A	-2.2049
69	D	A	-2.8668
70	G	A	-1.9364
71	S	A	0.0000
72	D	A	0.0000
73	E	A	-1.4601
74	S	A	-1.7110
75	Q	A	-1.8520
76	Q	A	-1.7770
77	C	A	-1.1585
78	S	A	-0.9689
79	A	A	-0.6668
80	P	A	-0.8654
81	A	A	-0.7757
82	S	A	-1.5393
83	E	A	-2.2907
84	P	A	-1.5587
85	P	A	-1.0707
86	G	A	-0.7495
87	S	A	-0.0524
88	L	A	1.5368
89	S	A	1.2856
90	L	A	1.7929