Project name: query_structure

Chain sequence(s)	A: YHPIETLVDIFQEYPDEIEYIFKPSAVPLMRGGANDEGLEVPTEESNITMQIMRIKPHQGQHIGEMSFLQHNKRPK
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -3.4898
• Maximal score value: 1.2246
• Average score: -1.0808
• Total score value: -82.1385

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	0.6345
2	H	A	-0.5297
3	P	A	-0.6974
4	I	A	0.0970
5	E	A	-1.1863
6	T	A	-0.2015
7	L	A	0.8321
8	V	A	-0.0010
9	D	A	-0.4395
10	I	A	0.0000
11	F	A	0.3861
12	Q	A	-1.1054
13	E	A	-1.0856
14	Y	A	-0.4205
15	P	A	-0.8331
16	D	A	-1.5623
17	E	A	-0.3345
18	I	A	1.0697
19	E	A	-0.4694
20	Y	A	0.1685
21	I	A	1.2246
22	F	A	0.0000
23	K	A	-1.4525
24	P	A	-1.3552
25	S	A	-0.4126
26	A	A	-0.2276
27	V	A	0.0000
28	P	A	0.0175
29	L	A	0.0000
30	M	A	-0.9709
31	R	A	-1.6033
32	G	A	-1.5820
33	G	A	-1.2035
34	A	A	-1.6295
35	N	A	-2.4069
36	D	A	-3.1258
37	E	A	-3.1731
38	G	A	-1.9915
39	L	A	-1.2048
40	E	A	-1.8250
41	V	A	-1.3891
42	P	A	-1.8735
43	T	A	-2.6704
44	E	A	-3.4898
45	E	A	-3.3970
46	S	A	-1.8428
47	N	A	-1.4761
48	I	A	-0.3766
49	T	A	-0.7586
50	M	A	-1.0730
51	Q	A	-1.6951
52	I	A	0.0000
53	M	A	-0.4701
54	R	A	-0.5958
55	I	A	-0.4480
56	K	A	-1.1462
57	P	A	-1.3060
58	H	A	-1.9341
59	Q	A	-2.2217
60	G	A	-1.9530
61	Q	A	-1.4629
62	H	A	-0.5441
63	I	A	0.4466
64	G	A	-0.7407
65	E	A	-1.9483
66	M	A	0.0000
67	S	A	-0.8171
68	F	A	0.0000
69	L	A	-0.8090
70	Q	A	-1.5131
71	H	A	-2.6825
72	N	A	-2.5238
73	K	A	-2.8579
74	R	A	-3.4656
75	P	A	-2.0908
76	K	A	-2.4120