Project name: query_structure

Chain sequence(s)	A: YHPIETLVDIFQEYPDEIEYIFKPSAVPLMRGGSNDEGLEVPTEESNITMQIMRIKPHQGQHIGEMSFLQHNKRPKKD
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                                          (00:02:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:24)

• Minimal score value: -3.6979
• Maximal score value: 1.182
• Average score: -1.1482
• Total score value: -89.5566

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	Y	A	0.4003
2	H	A	-0.3635
3	P	A	-0.5492
4	I	A	0.5257
5	E	A	-0.9573
6	T	A	-0.0568
7	L	A	0.9426
8	V	A	0.0000
9	D	A	-0.4039
10	I	A	0.0000
11	F	A	0.6487
12	Q	A	-1.0450
13	E	A	-1.1543
14	Y	A	-0.3782
15	P	A	-0.8044
16	D	A	-1.5907
17	E	A	-0.4220
18	I	A	1.0239
19	E	A	-0.7238
20	Y	A	0.0627
21	I	A	1.1820
22	F	A	0.0000
23	K	A	-1.4337
24	P	A	-1.3434
25	S	A	-0.3457
26	A	A	-0.1816
27	V	A	0.0000
28	P	A	0.0601
29	L	A	0.0000
30	M	A	-0.8624
31	R	A	-1.7866
32	G	A	-1.5804
33	G	A	-1.2800
34	S	A	-1.9883
35	N	A	-2.4344
36	D	A	-3.2539
37	E	A	-3.0510
38	G	A	-1.6433
39	L	A	-0.6580
40	E	A	-1.6439
41	V	A	-1.5432
42	P	A	-1.8833
43	T	A	-2.3640
44	E	A	-2.7801
45	E	A	-3.1287
46	S	A	-1.7588
47	N	A	-1.4132
48	I	A	-0.4986
49	T	A	-0.8151
50	M	A	-1.0736
51	Q	A	-1.6459
52	I	A	0.0000
53	M	A	-0.5574
54	R	A	-0.8731
55	I	A	-0.7490
56	K	A	-1.4206
57	P	A	-1.4797
58	H	A	-1.9804
59	Q	A	-2.2724
60	G	A	-2.0097
61	Q	A	-1.7053
62	H	A	-0.8020
63	I	A	0.3612
64	G	A	-0.7921
65	E	A	-1.8737
66	M	A	0.0000
67	S	A	-0.8838
68	F	A	0.0000
69	L	A	-0.9218
70	Q	A	-1.5513
71	H	A	-2.4624
72	N	A	-2.4473
73	K	A	-2.8957
74	R	A	-3.2723
75	P	A	-2.5382
76	K	A	-3.6479
77	K	A	-3.6979
78	D	A	-3.0896