Project name: c33004d113134dd

Chain sequence(s)	A: MRFPSIFTAVLFAASSALAAPVNTTTEDETAQIPAEAVIGYSDLEGDFDVAVLPFSNSTNNGLLFINTTIASIAAKEEGVSLEKREEAEAEAEPK
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                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -4.7087
• Maximal score value: 4.0674
• Average score: -0.1542
• Total score value: -14.6464

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	0.4635
2	R	A	-0.3648
3	F	A	1.3346
4	P	A	1.2350
5	S	A	1.3261
6	I	A	2.8424
7	F	A	3.7715
8	T	A	2.9946
9	A	A	2.9869
10	V	A	4.0674
11	L	A	3.9568
12	F	A	3.7449
13	A	A	2.4409
14	A	A	2.0175
15	S	A	1.7232
16	S	A	1.1719
17	A	A	1.0936
18	L	A	1.6585
19	A	A	0.9556
20	A	A	0.7317
21	P	A	0.4805
22	V	A	1.0267
23	N	A	-0.5471
24	T	A	-1.0691
25	T	A	-1.1916
26	T	A	-2.2843
27	E	A	-3.2608
28	D	A	-3.5949
29	E	A	-3.5136
30	T	A	-1.8995
31	A	A	-1.0826
32	Q	A	-0.7306
33	I	A	1.2159
34	P	A	0.4479
35	A	A	0.4777
36	E	A	-0.3629
37	A	A	0.9905
38	V	A	2.4968
39	I	A	1.8366
40	G	A	0.3691
41	Y	A	1.5069
42	S	A	0.2870
43	D	A	-1.6746
44	L	A	-1.1698
45	E	A	-2.6292
46	G	A	-1.7494
47	D	A	-1.7610
48	F	A	0.5507
49	D	A	0.4720
50	V	A	1.1121
51	A	A	1.7796
52	V	A	3.0511
53	L	A	2.7708
54	P	A	1.9163
55	F	A	1.6418
56	S	A	-0.6691
57	N	A	-1.8271
58	S	A	-1.4470
59	T	A	-1.4902
60	N	A	-2.2071
61	N	A	-1.6228
62	G	A	0.3192
63	L	A	2.8928
64	L	A	3.2042
65	F	A	3.3044
66	I	A	2.2445
67	N	A	0.9679
68	T	A	1.2857
69	T	A	1.3220
70	I	A	2.3554
71	A	A	0.9459
72	S	A	0.3942
73	I	A	0.9808
74	A	A	-0.1833
75	A	A	-1.0951
76	K	A	-2.3902
77	E	A	-2.4148
78	E	A	-2.6350
79	G	A	-1.8242
80	V	A	-1.6714
81	S	A	-1.3240
82	L	A	-1.1835
83	E	A	-3.1291
84	K	A	-3.7735
85	R	A	-3.6681
86	E	A	-4.5944
87	E	A	-4.7087
88	A	A	-3.8556
89	E	A	-4.3312
90	A	A	-3.6413
91	E	A	-3.9747
92	A	A	-3.0718
93	E	A	-3.3420
94	P	A	-2.3030
95	K	A	-2.5460