Project name: f86bfefe9a51119

Chain sequence(s)	A: MIEIICNDRLGKKIRIKCNTDDTIGDLKKLIAAQTGTRWNKIILKKWYTIFKDHISLGDYEIHDGMNLELYYQ
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                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:22)

• Minimal score value: -3.2146
• Maximal score value: 1.9749
• Average score: -1.1784
• Total score value: -86.02

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	-0.4283
2	I	A	-1.4423
3	E	A	-2.5806
4	I	A	0.0000
5	I	A	-2.1934
6	C	A	0.0000
7	N	A	-2.3789
8	D	A	0.0000
9	R	A	-1.8036
10	L	A	-0.2900
11	G	A	-1.6101
12	K	A	-2.5854
13	K	A	-3.2146
14	I	A	-2.2739
15	R	A	-2.9193
16	I	A	0.0000
17	K	A	-2.4460
18	C	A	0.0000
19	N	A	-2.0877
20	T	A	-2.3262
21	D	A	-2.5027
22	D	A	-1.8409
23	T	A	-1.8500
24	I	A	0.0000
25	G	A	0.0000
26	D	A	-1.4212
27	L	A	0.0000
28	K	A	0.0000
29	K	A	-1.7591
30	L	A	-0.5737
31	I	A	0.0000
32	A	A	-1.6438
33	A	A	-1.0301
34	Q	A	-1.5189
35	T	A	-1.0520
36	G	A	-1.1733
37	T	A	-1.6989
38	R	A	-2.8301
39	W	A	-1.9463
40	N	A	-2.6073
41	K	A	-2.3492
42	I	A	0.0000
43	I	A	-0.3551
44	L	A	0.0000
45	K	A	-0.0571
46	K	A	0.2623
47	W	A	1.5488
48	Y	A	1.9749
49	T	A	1.1372
50	I	A	0.8580
51	F	A	0.0000
52	K	A	-1.5651
53	D	A	-1.8062
54	H	A	-1.6305
55	I	A	-1.4045
56	S	A	-2.0942
57	L	A	0.0000
58	G	A	-2.5619
59	D	A	-2.5938
60	Y	A	-1.8089
61	E	A	-2.8285
62	I	A	0.0000
63	H	A	-2.5812
64	D	A	-2.9739
65	G	A	-2.1153
66	M	A	-1.4884
67	N	A	-1.7884
68	L	A	0.0000
69	E	A	-1.7097
70	L	A	0.0000
71	Y	A	-0.2679
72	Y	A	-0.3385
73	Q	A	-1.4543