Project name: ed0fe62208ad33

Chain sequence(s)	A: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG
Selected Chain(s)	A
Distance of aggregation	5 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.                                          (00:00:36)

• Minimal score value: -2.2853
• Maximal score value: 1.5334
• Average score: -0.6217
• Total score value: -47.2495

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	-0.0191
2	Q	A	-1.0071
3	I	A	0.0000
4	F	A	0.3982
5	V	A	0.0000
6	K	A	-1.2126
7	T	A	0.0646
8	L	A	1.5334
9	T	A	0.1249
10	G	A	-0.7935
11	K	A	-1.7651
12	T	A	-0.4923
13	I	A	0.0000
14	T	A	0.0047
15	L	A	0.0000
16	E	A	-1.9154
17	V	A	0.0000
18	E	A	-1.8327
19	P	A	-0.4671
20	S	A	-0.2927
21	D	A	-0.4038
22	T	A	-0.0861
23	I	A	0.0000
24	E	A	-2.1437
25	N	A	-1.0473
26	V	A	0.0000
27	K	A	0.0000
28	A	A	-0.1655
29	K	A	-0.9202
30	I	A	0.0000
31	Q	A	-0.9480
32	D	A	-2.2853
33	K	A	-2.2397
34	E	A	-1.5479
35	G	A	-0.7150
36	I	A	0.0921
37	P	A	-0.0294
38	P	A	-0.4114
39	D	A	-1.8350
40	Q	A	-0.7074
41	Q	A	0.0000
42	R	A	-0.6305
43	L	A	0.0000
44	I	A	0.1067
45	F	A	0.3399
46	A	A	0.0235
47	G	A	-0.6567
48	K	A	-1.3736
49	Q	A	-1.2470
50	L	A	0.0000
51	E	A	-2.0981
52	D	A	-2.1754
53	G	A	-0.9789
54	R	A	-1.3750
55	T	A	-0.2515
56	L	A	0.0000
57	S	A	-0.6688
58	D	A	-1.7361
59	Y	A	-0.4024
60	N	A	-1.2687
61	I	A	0.0000
62	Q	A	-1.5091
63	K	A	-2.2585
64	E	A	-2.1422
65	S	A	-0.3708
66	T	A	0.0235
67	L	A	0.0000
68	H	A	-0.7801
69	L	A	0.0000
70	V	A	0.4696
71	L	A	0.4430
72	R	A	-1.4483
73	L	A	0.8708
74	R	A	-1.6433
75	G	A	-0.8935
76	G	A	-0.5526