Project name: query_structure

Chain sequence(s)	A: CGPGRFQCESGQCIPATWVCDGENDCVDDSDEKSCATTAPTCQADEFQCQSSGKCLPVNWVCDGDNDCGDDSDETNCATTGRT
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -3.6971
• Maximal score value: 0.0
• Average score: -1.3709
• Total score value: -113.7878

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	-0.3250
2	G	A	-0.8311
3	P	A	-0.9343
4	G	A	-1.3238
5	R	A	-1.6256
6	F	A	-0.9657
7	Q	A	-1.8230
8	C	A	0.0000
9	E	A	-2.8177
10	S	A	-1.8100
11	G	A	-1.5376
12	Q	A	-1.4196
13	C	A	-0.9516
14	I	A	0.0000
15	P	A	-0.5585
16	A	A	-0.5788
17	T	A	-0.2018
18	W	A	-0.5795
19	V	A	-1.1370
20	C	A	-1.8424
21	D	A	-2.7194
22	G	A	-2.7103
23	E	A	-3.4112
24	N	A	-3.1884
25	D	A	-1.9162
26	C	A	0.0000
27	V	A	-0.1043
28	D	A	-2.2317
29	D	A	-2.7905
30	S	A	0.0000
31	D	A	0.0000
32	E	A	-2.7252
33	K	A	-2.6558
34	S	A	-1.2660
35	C	A	-0.7888
36	A	A	-0.4089
37	T	A	-0.2904
38	T	A	-0.0553
39	A	A	-0.0810
40	P	A	-0.6145
41	T	A	-0.6549
42	C	A	-1.1377
43	Q	A	-1.7458
44	A	A	-1.1716
45	D	A	-1.8596
46	E	A	-1.5546
47	F	A	-0.7831
48	Q	A	-1.3372
49	C	A	0.0000
50	Q	A	-2.3133
51	S	A	-2.0037
52	S	A	-1.7689
53	G	A	-1.5479
54	K	A	-2.1528
55	C	A	-1.2615
56	L	A	0.0000
57	P	A	-0.8348
58	V	A	-0.7217
59	N	A	-1.2473
60	W	A	-0.8898
61	V	A	0.0000
62	C	A	-2.1545
63	D	A	-2.9419
64	G	A	-2.4895
65	D	A	-3.2793
66	N	A	-3.2389
67	D	A	-2.4494
68	C	A	0.0000
69	G	A	-2.7561
70	D	A	-3.3770
71	D	A	-3.6971
72	S	A	0.0000
73	D	A	0.0000
74	E	A	-2.4329
75	T	A	-1.4744
76	N	A	-1.3100
77	C	A	-1.1126
78	A	A	-0.6390
79	T	A	-0.6558
80	T	A	-0.8713
81	G	A	-1.3532
82	R	A	-2.2824
83	T	A	-1.0654