Project name: 1-jjj

Chain sequence(s)	A: MQVSTAALAVLLCTMALCNQVLSAPLAADTPTACCFSYTSRQIPQNFIADYFETSSQCSKPSVIFLTKRGRQVCADPSEEWVQKYVSDLELSA
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -3.2822
• Maximal score value: 3.5853
• Average score: -0.1785
• Total score value: -16.5987

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	0.9347
2	Q	A	0.0797
3	V	A	1.6167
4	S	A	0.9493
5	T	A	1.1371
6	A	A	1.6244
7	A	A	2.1797
8	L	A	3.1255
9	A	A	2.5661
10	V	A	3.5710
11	L	A	3.5802
12	L	A	3.5853
13	C	A	3.1979
14	T	A	2.4047
15	M	A	2.1000
16	A	A	1.7502
17	L	A	2.2715
18	C	A	1.8505
19	N	A	0.1658
20	Q	A	0.3031
21	V	A	2.0916
22	L	A	2.0831
23	S	A	0.6237
24	A	A	0.6595
25	P	A	0.6519
26	L	A	1.1931
27	A	A	0.1512
28	A	A	-0.4381
29	D	A	-1.4870
30	T	A	-0.7334
31	P	A	-0.7095
32	T	A	-0.5525
33	A	A	-0.1416
34	C	A	0.0496
35	C	A	0.0000
36	F	A	1.7482
37	S	A	0.8009
38	Y	A	0.3041
39	T	A	-0.7059
40	S	A	-1.2960
41	R	A	-2.4572
42	Q	A	-2.4947
43	I	A	-0.9814
44	P	A	-0.8460
45	Q	A	-1.2258
46	N	A	-1.0815
47	F	A	-0.2558
48	I	A	0.0000
49	A	A	-1.2716
50	D	A	-0.8427
51	Y	A	-0.1445
52	F	A	0.1619
53	E	A	-1.2090
54	T	A	-0.9537
55	S	A	-1.0492
56	S	A	-1.2764
57	Q	A	-1.4833
58	C	A	-0.7310
59	S	A	-0.6685
60	K	A	-0.9458
61	P	A	-1.0955
62	S	A	0.0000
63	V	A	0.0000
64	I	A	-0.1786
65	F	A	0.0000
66	L	A	-1.1331
67	T	A	-2.1271
68	K	A	-2.9136
69	R	A	-3.2221
70	G	A	-2.8370
71	R	A	-3.1261
72	Q	A	-2.1615
73	V	A	-0.3840
74	C	A	0.4347
75	A	A	0.0000
76	D	A	-1.0991
77	P	A	-1.6239
78	S	A	-1.4267
79	E	A	-2.5262
80	E	A	-3.2822
81	W	A	0.0000
82	V	A	0.0000
83	Q	A	-2.8817
84	K	A	-3.1679
85	Y	A	0.0000
86	V	A	-1.2063
87	S	A	-1.2091
88	D	A	-1.0123
89	L	A	-0.9046
90	E	A	-1.3329
91	L	A	0.5613
92	S	A	-0.0119
93	A	A	-0.2614