Project name: query_structure

Chain sequence(s)	A: CGPGRFQCESGQCIPATWVCDGENDCVDDSDEKSCATTAPTCGSGQFRCSNGNCLPLRLGCDGVDDCGDSSDEPLDPCAATVRT
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -3.3144
• Maximal score value: 1.0652
• Average score: -1.0014
• Total score value: -84.1214

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	-0.2709
2	G	A	-0.8173
3	P	A	-0.9328
4	G	A	-1.3179
5	R	A	-1.5943
6	F	A	-0.9576
7	Q	A	-1.7842
8	C	A	0.0000
9	E	A	-2.5025
10	S	A	-1.3937
11	G	A	-1.3019
12	Q	A	-1.0122
13	C	A	-0.8359
14	I	A	0.0000
15	P	A	-0.4808
16	A	A	-0.5788
17	T	A	-0.2133
18	W	A	-0.6029
19	V	A	-1.0668
20	C	A	-1.5897
21	D	A	-2.4888
22	G	A	-2.4557
23	E	A	-3.3144
24	N	A	-2.8521
25	D	A	-1.5155
26	C	A	0.0000
27	V	A	0.5661
28	D	A	-1.0021
29	D	A	-1.9902
30	S	A	0.0000
31	D	A	0.0000
32	E	A	-2.4479
33	K	A	-2.4450
34	S	A	-1.2853
35	C	A	-0.8248
36	A	A	-0.4564
37	T	A	-0.3095
38	T	A	-0.0619
39	A	A	-0.2364
40	P	A	-0.8299
41	T	A	-0.4184
42	C	A	-0.6240
43	G	A	-0.5313
44	S	A	-0.4138
45	G	A	-0.6192
46	Q	A	-0.8016
47	F	A	-0.7501
48	R	A	-1.5073
49	C	A	0.0000
50	S	A	-1.8513
51	N	A	-2.4684
52	G	A	-1.9215
53	N	A	-2.1723
54	C	A	-1.0355
55	L	A	-0.6550
56	P	A	-0.4788
57	L	A	-0.2199
58	R	A	-1.6036
59	L	A	-1.1564
60	G	A	0.0000
61	C	A	-0.6637
62	D	A	-2.1350
63	G	A	-1.2427
64	V	A	-0.7170
65	D	A	-2.6274
66	D	A	-2.2993
67	C	A	0.0000
68	G	A	-2.2618
69	D	A	-2.9903
70	S	A	-2.0548
71	S	A	-1.8832
72	D	A	0.0000
73	E	A	-1.2992
74	P	A	-0.4404
75	L	A	0.7499
76	D	A	-1.1938
77	P	A	-0.7029
78	C	A	0.0000
79	A	A	0.1782
80	A	A	0.0310
81	T	A	0.2465
82	V	A	1.0652
83	R	A	-1.0164
84	T	A	-0.4326