Project name: query_structure

Chain sequence(s)	A: MAASSVPTKLEVVAATPTSLLISWDAPAVTVDHYVITYGETGGGWYGQEFEVPGSKSTATISGLKPGVDYTITVYAYEFYSGEYSHFSPISINYRT
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -2.574
• Maximal score value: 1.9539
• Average score: -0.4516
• Total score value: -43.3559

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	1.0721
2	A	A	0.5285
3	A	A	0.4347
4	S	A	0.2499
5	S	A	0.1368
6	V	A	0.1574
7	P	A	0.0000
8	T	A	-1.2106
9	K	A	-2.3395
10	L	A	0.0000
11	E	A	-1.7980
12	V	A	0.0963
13	V	A	1.5155
14	A	A	0.8730
15	A	A	0.2796
16	T	A	-0.5463
17	P	A	-1.1414
18	T	A	-1.0173
19	S	A	-0.5576
20	L	A	0.0000
21	L	A	0.6959
22	I	A	0.0000
23	S	A	-0.7684
24	W	A	0.0000
25	D	A	-1.6649
26	A	A	-0.7290
27	P	A	0.0000
28	A	A	0.2226
29	V	A	0.4152
30	T	A	0.4224
31	V	A	0.0643
32	D	A	-0.4767
33	H	A	-1.1215
34	Y	A	0.0000
35	V	A	0.0000
36	I	A	0.0000
37	T	A	-1.1235
38	Y	A	0.0000
39	G	A	-0.8583
40	E	A	-1.4953
41	T	A	-1.2662
42	G	A	-0.9221
43	G	A	-0.5830
44	G	A	-0.0675
45	W	A	0.9722
46	Y	A	0.9902
47	G	A	-0.3971
48	Q	A	-1.6430
49	E	A	-2.3380
50	F	A	-1.5780
51	E	A	-1.9938
52	V	A	0.0000
53	P	A	-1.5476
54	G	A	-1.4961
55	S	A	-1.3701
56	K	A	-2.0149
57	S	A	-1.2196
58	T	A	-0.6510
59	A	A	0.0000
60	T	A	0.2728
61	I	A	0.0000
62	S	A	-0.6689
63	G	A	-1.1516
64	L	A	0.0000
65	K	A	-2.3846
66	P	A	-1.6579
67	G	A	-1.4452
68	V	A	-1.4412
69	D	A	-2.1459
70	Y	A	0.0000
71	T	A	-1.0774
72	I	A	0.0000
73	T	A	-0.2820
74	V	A	0.0000
75	Y	A	-0.1966
76	A	A	0.0000
77	Y	A	0.1625
78	E	A	0.0000
79	F	A	1.9539
80	Y	A	1.5586
81	S	A	0.2516
82	G	A	-0.3450
83	E	A	-0.6247
84	Y	A	0.9937
85	S	A	0.2374
86	H	A	-0.3877
87	F	A	0.0222
88	S	A	-0.1533
89	P	A	0.0354
90	I	A	0.1905
91	S	A	-0.2990
92	I	A	-0.4721
93	N	A	-1.7509
94	Y	A	-1.5087
95	R	A	-2.5740
96	T	A	-1.6581