Project name: F12W

Chain sequence(s)	A: TAEVMSHVTAHWGKTLEECREESGLSVDILDEFKHFWSDDFDVVHRELGCAIICMSNKFSLMDDDVRMHHVNMDEYIKSFPNGQVLAEKMVKLIHNCEKQFDTETDDCTRVVKVAACFKEDSRKEGIAPEVAMVEAVIEKY
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]                                                (00:00:01)
[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                                          (00:02:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:16)

• Minimal score value: -3.5727
• Maximal score value: 0.6327
• Average score: -1.1493
• Total score value: -162.045

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	T	A	-0.9425
2	A	A	-1.5292
3	E	A	-2.2394
4	V	A	0.0000
5	M	A	0.0000
6	S	A	0.0000
7	H	A	-0.7788
8	V	A	0.0000
9	T	A	0.0000
10	A	A	0.0000
11	H	A	-0.4554
12	W	A	-0.6955
13	G	A	-1.2808
14	K	A	-2.3935
15	T	A	0.0000
16	L	A	0.0000
17	E	A	-3.4561
18	E	A	-3.5727
19	C	A	0.0000
20	R	A	0.0000
21	E	A	-3.5667
22	E	A	-3.1718
23	S	A	0.0000
24	G	A	-1.8425
25	L	A	0.0000
26	S	A	-0.4762
27	V	A	-0.0065
28	D	A	-1.1314
29	I	A	-0.5131
30	L	A	0.0000
31	D	A	-1.8072
32	E	A	-1.8475
33	F	A	0.0000
34	K	A	-1.2086
35	H	A	-1.7408
36	F	A	0.0000
37	W	A	0.0000
38	S	A	-2.1030
39	D	A	-3.1523
40	D	A	-3.0442
41	F	A	-1.8142
42	D	A	-1.9389
43	V	A	0.0000
44	V	A	0.4865
45	H	A	-0.7861
46	R	A	-1.8538
47	E	A	-1.5572
48	L	A	0.0000
49	G	A	0.0000
50	C	A	-0.9024
51	A	A	0.0000
52	I	A	0.0000
53	I	A	-0.2886
54	C	A	-0.9709
55	M	A	0.0000
56	S	A	0.0000
57	N	A	-1.9044
58	K	A	-1.9862
59	F	A	-0.8863
60	S	A	-1.1862
61	L	A	0.0000
62	M	A	-1.6416
63	D	A	-2.3941
64	D	A	-3.0027
65	D	A	-2.9422
66	V	A	-1.7259
67	R	A	-1.8804
68	M	A	0.0000
69	H	A	-0.9736
70	H	A	-0.7663
71	V	A	0.6327
72	N	A	-0.5924
73	M	A	-0.8211
74	D	A	-1.8266
75	E	A	-2.2328
76	Y	A	-1.0736
77	I	A	0.0000
78	K	A	-2.6353
79	S	A	-1.5686
80	F	A	-1.1935
81	P	A	-1.3192
82	N	A	-1.8532
83	G	A	0.0000
84	Q	A	-2.0602
85	V	A	-0.1603
86	L	A	0.0000
87	A	A	0.0000
88	E	A	-2.7904
89	K	A	-2.2327
90	M	A	0.0000
91	V	A	0.0000
92	K	A	-2.8150
93	L	A	0.0000
94	I	A	-1.3480
95	H	A	-2.2150
96	N	A	-2.6390
97	C	A	0.0000
98	E	A	-2.5444
99	K	A	-3.3124
100	Q	A	-2.8460
101	F	A	-2.0640
102	D	A	-2.7891
103	T	A	-1.4940
104	E	A	-1.4270
105	T	A	-1.0295
106	D	A	-1.4204
107	D	A	-1.6405
108	C	A	-1.1300
109	T	A	-1.0840
110	R	A	0.0000
111	V	A	0.0000
112	V	A	0.0000
113	K	A	-0.8860
114	V	A	0.0000
115	A	A	-0.2366
116	A	A	-0.6496
117	C	A	-1.0482
118	F	A	-1.1280
119	K	A	0.0000
120	E	A	-2.8539
121	D	A	-2.8112
122	S	A	0.0000
123	R	A	-2.9131
124	K	A	-3.4645
125	E	A	-3.0292
126	G	A	-1.9490
127	I	A	0.0000
128	A	A	-1.8804
129	P	A	0.0000
130	E	A	-2.2689
131	V	A	-1.1507
132	A	A	-0.6110
133	M	A	-0.8360
134	V	A	0.0000
135	E	A	-1.5346
136	A	A	-0.8950
137	V	A	0.0000
138	I	A	-0.7804
139	E	A	-2.0862
140	K	A	-1.8038
141	Y	A	0.1680