Project name: query_structure

Chain sequence(s)	A: MASTSGVSDVPRDLEVVAATPTSLLISWDAPAVTVHSYYITYQELQHHSVPQGFQVPGSKSTATISGLKPGVAYQIAVYAFTGPGLPPSDAPPIVIYYRTEGSGS
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: -3.6302
• Maximal score value: 1.5272
• Average score: -0.4845
• Total score value: -50.872

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	1.0207
2	A	A	0.3932
3	S	A	-0.0797
4	T	A	-0.0404
5	S	A	-0.1776
6	G	A	0.1402
7	V	A	1.4080
8	S	A	0.2007
9	D	A	-0.1315
10	V	A	-0.4405
11	P	A	0.0000
12	R	A	-3.5512
13	D	A	-3.6302
14	L	A	0.0000
15	E	A	-1.8539
16	V	A	0.3626
17	V	A	1.5272
18	A	A	0.8840
19	A	A	0.0127
20	T	A	-0.7378
21	P	A	-1.7151
22	T	A	-1.2333
23	S	A	-0.6895
24	L	A	0.0000
25	L	A	0.7201
26	I	A	0.0000
27	S	A	-1.1533
28	W	A	0.0000
29	D	A	-3.4140
30	A	A	-1.7116
31	P	A	0.0000
32	A	A	0.1207
33	V	A	0.4836
34	T	A	-0.2111
35	V	A	-0.5645
36	H	A	-1.3015
37	S	A	0.0000
38	Y	A	0.0000
39	Y	A	0.3813
40	I	A	0.0000
41	T	A	-0.4197
42	Y	A	-0.0318
43	Q	A	-0.6177
44	E	A	-1.0917
45	L	A	-0.3256
46	Q	A	-1.5498
47	H	A	-1.6483
48	H	A	-1.2729
49	S	A	-0.4175
50	V	A	0.7958
51	P	A	-0.2609
52	Q	A	-0.9355
53	G	A	-0.5628
54	F	A	-0.2282
55	Q	A	-0.7822
56	V	A	0.0000
57	P	A	-1.1395
58	G	A	-1.1449
59	S	A	-1.1243
60	K	A	-1.8185
61	S	A	-1.2971
62	T	A	-0.6817
63	A	A	0.0000
64	T	A	0.2878
65	I	A	0.0000
66	S	A	-0.6510
67	G	A	-1.0070
68	L	A	0.0000
69	K	A	-2.4641
70	P	A	-2.0622
71	G	A	-1.8016
72	V	A	0.0000
73	A	A	-1.1898
74	Y	A	0.0000
75	Q	A	0.2044
76	I	A	0.0000
77	A	A	0.0000
78	V	A	0.0000
79	Y	A	0.6302
80	A	A	0.0000
81	F	A	0.0000
82	T	A	-0.3079
83	G	A	-0.4659
84	P	A	-0.4626
85	G	A	-0.0679
86	L	A	1.2313
87	P	A	0.0722
88	P	A	-0.7089
89	S	A	-0.9396
90	D	A	-2.0397
91	A	A	-0.9439
92	P	A	-0.6002
93	P	A	0.1922
94	I	A	0.3022
95	V	A	1.0359
96	I	A	0.8786
97	Y	A	1.1987
98	Y	A	-0.0239
99	R	A	-1.9385
100	T	A	0.0000
101	E	A	-2.7532
102	G	A	-1.9520
103	S	A	-1.3553
104	G	A	-1.1118
105	S	A	-0.5220