Project name: 8860a29250b8e20

Chain sequence(s)	A: MPDLSSFITIKNNSNHVFTRTAIYSKYAAVQWSPEPQLSISPGKWDLFILKDILSIRGTSGYVQYRVGDGPGWVRVTFSSLVGADEVAEWSSGDLPDGFVLQKPVRTGSRPLQATFEATKQLEHHHHHH
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                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -2.9829
• Maximal score value: 2.0107
• Average score: -0.6271
• Total score value: -80.8924

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	0.9331
2	P	A	-0.3329
3	D	A	-1.1334
4	L	A	0.0000
5	S	A	0.0000
6	S	A	0.0000
7	F	A	0.2448
8	I	A	0.0000
9	T	A	0.4779
10	I	A	0.0000
11	K	A	-1.0043
12	N	A	0.0000
13	N	A	-1.9193
14	S	A	0.0000
15	N	A	-1.8914
16	H	A	-1.3266
17	V	A	-0.4746
18	F	A	0.0000
19	T	A	-0.4827
20	R	A	-0.3590
21	T	A	-0.3200
22	A	A	0.2852
23	I	A	0.7145
24	Y	A	0.8338
25	S	A	-0.3044
26	K	A	-1.3788
27	Y	A	-0.8785
28	A	A	-0.1328
29	A	A	0.2819
30	V	A	0.0000
31	Q	A	-1.3111
32	W	A	-1.2981
33	S	A	-1.0765
34	P	A	-1.2700
35	E	A	-1.9120
36	P	A	0.0000
37	Q	A	-0.6783
38	L	A	0.5834
39	S	A	0.1248
40	I	A	0.0000
41	S	A	-0.6572
42	P	A	-1.2418
43	G	A	-1.6118
44	K	A	-1.6105
45	W	A	-0.2043
46	D	A	0.0000
47	L	A	0.4721
48	F	A	0.0000
49	I	A	-0.4209
50	L	A	0.0000
51	K	A	-0.6814
52	D	A	0.0620
53	I	A	1.6251
54	L	A	2.0107
55	S	A	1.1861
56	I	A	1.5331
57	R	A	-0.2206
58	G	A	0.0000
59	T	A	0.0000
60	S	A	-0.4652
61	G	A	0.0000
62	Y	A	0.2331
63	V	A	0.0000
64	Q	A	-0.4398
65	Y	A	0.0000
66	R	A	-1.6954
67	V	A	0.0000
68	G	A	-1.2933
69	D	A	-2.1314
70	G	A	-1.6562
71	P	A	-1.3741
72	G	A	0.0000
73	W	A	-0.9368
74	V	A	0.0000
75	R	A	-0.7939
76	V	A	0.0000
77	T	A	-0.0220
78	F	A	0.0000
79	S	A	-0.1275
80	S	A	0.0000
81	L	A	0.0997
82	V	A	0.5403
83	G	A	-0.4108
84	A	A	-0.5629
85	D	A	-1.5835
86	E	A	-0.9791
87	V	A	-0.0910
88	A	A	-0.4084
89	E	A	-0.5604
90	W	A	-0.7521
91	S	A	-0.3641
92	S	A	-0.6128
93	G	A	-1.0603
94	D	A	-1.9233
95	L	A	-0.9869
96	P	A	-1.4876
97	D	A	-2.2753
98	G	A	-1.8885
99	F	A	-1.1615
100	V	A	-0.7713
101	L	A	-0.5865
102	Q	A	-0.9382
103	K	A	-1.7367
104	P	A	-0.6038
105	V	A	0.2670
106	R	A	-1.1675
107	T	A	-0.9787
108	G	A	-1.2787
109	S	A	-1.5212
110	R	A	-1.3349
111	P	A	-1.2331
112	L	A	0.0000
113	Q	A	-0.9720
114	A	A	0.0000
115	T	A	-0.2040
116	F	A	0.0000
117	E	A	-0.8884
118	A	A	0.0000
119	T	A	-1.5728
120	K	A	-2.6771
121	Q	A	-2.0255
122	L	A	-0.7976
123	E	A	-2.5941
124	H	A	-2.5617
125	H	A	-2.7607
126	H	A	-2.9829
127	H	A	-2.7141
128	H	A	-2.4090
129	H	A	-1.9132