Project name: 47dbe96ff4f24ea

Chain sequence(s)	A: MKKTAIAIAVALAGFATVAQAAVDNKFNKEAIFASIEIINLPNLNGHQVHAFIRSLSDDPSQSANLLAEAKKLNDAQAPKGQAGQHHHHHHGAYPYDVPDYAS
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.1979
• Maximal score value: 3.1355
• Average score: -0.7015
• Total score value: -72.2567

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	-0.2084
2	K	A	-1.9932
3	K	A	-2.0775
4	T	A	-0.7330
5	A	A	0.6199
6	I	A	2.4151
7	A	A	2.2332
8	I	A	3.1355
9	A	A	2.3509
10	V	A	2.7671
11	A	A	1.8643
12	L	A	2.2693
13	A	A	1.4935
14	G	A	1.1584
15	F	A	2.2619
16	A	A	1.4972
17	T	A	1.0237
18	V	A	1.6966
19	A	A	0.2986
20	Q	A	-0.3331
21	A	A	0.1216
22	A	A	-0.1601
23	V	A	0.2616
24	D	A	-1.8403
25	N	A	-2.3445
26	K	A	-2.0245
27	F	A	-0.4966
28	N	A	-2.2555
29	K	A	-2.1770
30	E	A	-1.8767
31	A	A	0.0000
32	I	A	0.4628
33	F	A	1.2017
34	A	A	0.0000
35	S	A	0.7217
36	I	A	1.6570
37	E	A	-0.1038
38	I	A	0.0000
39	I	A	1.1264
40	N	A	-0.4468
41	L	A	-0.6670
42	P	A	-0.8650
43	N	A	-1.3967
44	L	A	0.0000
45	N	A	-1.8179
46	G	A	-1.5648
47	H	A	-1.9273
48	Q	A	-1.3164
49	V	A	-0.9126
50	H	A	-1.6326
51	A	A	-1.2869
52	F	A	0.0000
53	I	A	-0.6577
54	R	A	-2.5565
55	S	A	-1.9486
56	L	A	0.0000
57	S	A	-1.6538
58	D	A	-2.8458
59	D	A	-2.2111
60	P	A	-1.9398
61	S	A	-1.5161
62	Q	A	-1.8687
63	S	A	0.0000
64	A	A	-1.0471
65	N	A	-1.7993
66	L	A	-1.5004
67	L	A	-1.0180
68	A	A	-1.7744
69	E	A	-2.9415
70	A	A	0.0000
71	K	A	-2.8358
72	K	A	-3.1979
73	L	A	-1.9016
74	N	A	0.0000
75	D	A	-3.0831
76	A	A	-1.7976
77	Q	A	-1.8162
78	A	A	-1.7044
79	P	A	-1.8190
80	K	A	-2.6446
81	G	A	-2.0233
82	Q	A	-2.4630
83	A	A	-1.6511
84	G	A	-1.9862
85	Q	A	-2.6824
86	H	A	-2.8128
87	H	A	-2.8583
88	H	A	-2.8968
89	H	A	-2.7278
90	H	A	-2.4547
91	H	A	-1.9194
92	G	A	-0.8132
93	A	A	0.2979
94	Y	A	1.1195
95	P	A	0.7112
96	Y	A	1.1989
97	D	A	-0.5165
98	V	A	0.8388
99	P	A	-0.1997
100	D	A	-1.0791
101	Y	A	0.6029
102	A	A	0.0182
103	S	A	-0.0606