Project name: query_structure

Chain sequence(s)	A: CGPGRFQCESGQCIPATWVCDGENDCVDDSDEKSCATTAPTCPPDQFTCNSGRCVPLNWLCDGVNDCADSSDEPPECQPRT
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.3015
• Maximal score value: 0.0768
• Average score: -1.1494
• Total score value: -93.1014

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	-0.1870
2	G	A	-0.7113
3	P	A	-0.8268
4	G	A	-1.1511
5	R	A	-1.2574
6	F	A	-0.7917
7	Q	A	-1.7019
8	C	A	0.0000
9	E	A	-2.7147
10	S	A	-1.6520
11	G	A	-1.4210
12	Q	A	-1.1397
13	C	A	-0.6818
14	I	A	0.0000
15	P	A	-0.3232
16	A	A	-0.4342
17	T	A	-0.1889
18	W	A	-0.4659
19	V	A	-1.0118
20	C	A	-1.6424
21	D	A	-2.5397
22	G	A	-2.4421
23	E	A	-3.3015
24	N	A	-2.9929
25	D	A	-1.6716
26	C	A	0.0000
27	V	A	0.0768
28	D	A	-2.0284
29	D	A	-2.3548
30	S	A	0.0000
31	D	A	0.0000
32	E	A	-2.5623
33	K	A	-2.5877
34	S	A	-1.2901
35	C	A	-0.9288
36	A	A	-0.5486
37	T	A	-0.2821
38	T	A	-0.1032
39	A	A	-0.5345
40	P	A	-0.9479
41	T	A	-0.6149
42	C	A	-0.9720
43	P	A	-1.1051
44	P	A	-1.1704
45	D	A	-2.0259
46	Q	A	-1.1137
47	F	A	-0.4046
48	T	A	-0.7277
49	C	A	0.0000
50	N	A	-1.9646
51	S	A	-1.7044
52	G	A	-1.6381
53	R	A	-2.2744
54	C	A	-0.9441
55	V	A	0.0000
56	P	A	-0.4335
57	L	A	-0.3400
58	N	A	-1.1243
59	W	A	-0.1468
60	L	A	-0.0845
61	C	A	-1.4201
62	D	A	-2.0464
63	G	A	-1.2118
64	V	A	0.0540
65	N	A	-1.1771
66	D	A	-0.9208
67	C	A	0.0000
68	A	A	-1.2110
69	D	A	-1.6597
70	S	A	-1.0866
71	S	A	-1.2061
72	D	A	0.0000
73	E	A	-1.2280
74	P	A	-1.2777
75	P	A	-1.3743
76	E	A	-2.2919
77	C	A	-2.0561
78	Q	A	-2.6258
79	P	A	-2.4033
80	R	A	-2.6045
81	T	A	-1.2230