Project name: query_structure

Chain sequence(s)	A: AVNFAAVNFAAVNFAAVNFAAVHAVNFAAVHAVNFAAVNFAAVHAVHAVNFAAVNFAAVNFAAVNFAAVNFAAVHAVNFAAVHAVNFAAVNFAAVHAVHAVNFA
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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -0.227
• Maximal score value: 3.1451
• Average score: 1.3338
• Total score value: 138.713

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	A	A	0.8053
2	V	A	1.6883
3	N	A	0.6238
4	F	A	1.9328
5	A	A	0.8927
6	A	A	0.9847
7	V	A	1.2981
8	N	A	0.5508
9	F	A	1.9594
10	A	A	0.9644
11	A	A	1.1832
12	V	A	2.0461
13	N	A	0.7725
14	F	A	2.2309
15	A	A	1.0707
16	A	A	1.2229
17	V	A	2.1628
18	N	A	0.5455
19	F	A	2.2242
20	A	A	1.3483
21	A	A	1.3683
22	V	A	2.4567
23	H	A	1.5368
24	A	A	1.8561
25	V	A	2.7826
26	N	A	1.7654
27	F	A	3.1451
28	A	A	2.0118
29	A	A	1.3013
30	V	A	1.6993
31	H	A	0.4549
32	A	A	0.9921
33	V	A	1.3795
34	N	A	0.6429
35	F	A	2.1808
36	A	A	1.2465
37	A	A	1.0347
38	V	A	1.6714
39	N	A	0.2640
40	F	A	1.3524
41	A	A	0.7892
42	A	A	0.7675
43	V	A	1.8855
44	H	A	0.4802
45	A	A	0.7696
46	V	A	1.5740
47	H	A	0.2465
48	A	A	0.5337
49	V	A	1.8393
50	N	A	0.9111
51	F	A	2.5413
52	A	A	1.3893
53	A	A	0.9058
54	V	A	1.9113
55	N	A	0.4670
56	F	A	2.2270
57	A	A	0.7994
58	A	A	0.9591
59	V	A	1.4712
60	N	A	0.1675
61	F	A	1.7219
62	A	A	1.0634
63	A	A	0.9851
64	V	A	1.8826
65	N	A	0.7179
66	F	A	2.4587
67	A	A	1.2971
68	A	A	1.4380
69	V	A	2.3903
70	N	A	1.1934
71	F	A	2.5863
72	A	A	0.0000
73	A	A	1.0599
74	V	A	1.1900
75	H	A	-0.2270
76	A	A	0.7193
77	V	A	1.7457
78	N	A	1.0372
79	F	A	2.8739
80	A	A	1.6154
81	A	A	1.2466
82	V	A	1.9070
83	H	A	0.0959
84	A	A	0.6483
85	V	A	1.7584
86	N	A	0.9540
87	F	A	2.5044
88	A	A	1.9033
89	A	A	1.5944
90	V	A	2.3488
91	N	A	1.1699
92	F	A	2.1030
93	A	A	0.9555
94	A	A	1.1712
95	V	A	1.9180
96	H	A	0.5567
97	A	A	0.9639
98	V	A	1.5368
99	H	A	0.1267
100	A	A	0.5882
101	V	A	1.5525
102	N	A	0.3728
103	F	A	1.7870
104	A	A	0.9151