Project name: query_structure

Chain sequence(s)	A: MAVSDVPRKLEVVAATPTSLLISWDYSYYYYYYYRITYGETGGNSPVQEFTVPYGSYTATISGLKPGVDYTITVYAVTYSGSVHYISINYRT
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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.7896
• Maximal score value: 2.821
• Average score: -0.1297
• Total score value: -11.9353

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	M	A	1.4282
2	A	A	1.0372
3	V	A	1.4512
4	S	A	0.2928
5	D	A	0.4335
6	V	A	0.6002
7	P	A	0.0000
8	R	A	-2.0126
9	K	A	-2.7896
10	L	A	0.0000
11	E	A	-1.9552
12	V	A	0.1174
13	V	A	1.5549
14	A	A	0.9162
15	A	A	0.3493
16	T	A	-0.3321
17	P	A	-1.1086
18	T	A	-0.9945
19	S	A	-0.5133
20	L	A	0.0000
21	L	A	0.7921
22	I	A	0.0000
23	S	A	-0.6117
24	W	A	0.0000
25	D	A	-1.9385
26	Y	A	0.1212
27	S	A	0.0000
28	Y	A	2.0899
29	Y	A	2.5648
30	Y	A	2.8210
31	Y	A	0.0000
32	Y	A	2.3632
33	Y	A	1.4202
34	Y	A	0.0000
35	R	A	-0.2196
36	I	A	0.0000
37	T	A	0.0000
38	Y	A	-0.4972
39	G	A	-0.8501
40	E	A	-1.7504
41	T	A	-1.3371
42	G	A	-1.2753
43	G	A	-1.4840
44	N	A	-1.5974
45	S	A	-0.9729
46	P	A	-0.4963
47	V	A	0.0906
48	Q	A	-1.2964
49	E	A	-1.8730
50	F	A	-0.7151
51	T	A	-0.1832
52	V	A	0.4248
53	P	A	0.4649
54	Y	A	1.2901
55	G	A	0.5734
56	S	A	0.1510
57	Y	A	0.1165
58	T	A	0.0165
59	A	A	0.0000
60	T	A	0.3107
61	I	A	0.0000
62	S	A	-0.6402
63	G	A	-1.0256
64	L	A	0.0000
65	K	A	-2.3849
66	P	A	-1.6577
67	G	A	-1.4587
68	V	A	-1.4660
69	D	A	-2.1455
70	Y	A	0.0000
71	T	A	-0.8163
72	I	A	0.0000
73	T	A	0.0000
74	V	A	0.0000
75	Y	A	0.9693
76	A	A	0.0000
77	V	A	0.0000
78	T	A	1.7702
79	Y	A	1.8948
80	S	A	0.4945
81	G	A	0.2718
82	S	A	0.5807
83	V	A	1.4063
84	H	A	1.0673
85	Y	A	1.6237
86	I	A	0.6886
87	S	A	-0.1615
88	I	A	-0.6694
89	N	A	-1.7268
90	Y	A	-1.4832
91	R	A	-2.5481
92	T	A	-1.5063