Project name: query_structure

Chain sequence(s)	A: CGPGRFQCESGQCIPATWVCDGENDCVDDSDEKSCATTAPTCPANQFQCGNGRCIPPAWLCDGVNDCGDGSDESQLCAATGPT
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]                                                (00:00:01)
[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 A 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                                          (00:00:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -3.3762
• Maximal score value: 0.7089
• Average score: -0.8857
• Total score value: -73.516

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	-0.2872
2	G	A	-0.7692
3	P	A	-0.8665
4	G	A	-1.2198
5	R	A	-1.4258
6	F	A	-0.8680
7	Q	A	-1.7656
8	C	A	0.0000
9	E	A	-2.6301
10	S	A	-1.5953
11	G	A	-1.4544
12	Q	A	-1.3189
13	C	A	-0.9721
14	I	A	0.0000
15	P	A	-0.4038
16	A	A	-0.4822
17	T	A	-0.1529
18	W	A	-0.5239
19	V	A	-1.0453
20	C	A	-1.6589
21	D	A	-2.5232
22	G	A	-2.4611
23	E	A	-3.3762
24	N	A	-3.0137
25	D	A	-1.7433
26	C	A	0.0000
27	V	A	0.2759
28	D	A	-1.4805
29	D	A	-2.4054
30	S	A	0.0000
31	D	A	0.0000
32	E	A	-2.5963
33	K	A	-2.5673
34	S	A	-1.1121
35	C	A	-0.8486
36	A	A	-0.4537
37	T	A	-0.2684
38	T	A	-0.0463
39	A	A	-0.1796
40	P	A	-0.8237
41	T	A	-0.5568
42	C	A	0.0000
43	P	A	-0.8701
44	A	A	-0.8946
45	N	A	-1.6404
46	Q	A	-1.2517
47	F	A	-0.5949
48	Q	A	-1.2448
49	C	A	0.0000
50	G	A	-1.8218
51	N	A	-2.4452
52	G	A	-1.8028
53	R	A	-2.0985
54	C	A	-1.0451
55	I	A	0.0000
56	P	A	-0.3704
57	P	A	-0.3060
58	A	A	0.0915
59	W	A	0.6121
60	L	A	0.6104
61	C	A	0.3992
62	D	A	-0.2617
63	G	A	-0.1241
64	V	A	0.7089
65	N	A	-1.1203
66	D	A	-0.8436
67	C	A	0.0000
68	G	A	-1.9032
69	D	A	-2.5908
70	G	A	-1.5902
71	S	A	-1.5173
72	D	A	0.0000
73	E	A	-0.6615
74	S	A	-0.8313
75	Q	A	-0.8181
76	L	A	0.2597
77	C	A	-0.0262
78	A	A	-0.2684
79	A	A	-0.1184
80	T	A	-0.2133
81	G	A	-0.4935
82	P	A	-0.5092
83	T	A	-0.3002