Project name: F118E

Chain sequence(s)	A: TAEVMSHVTAHFGKTLEECREESGLSVDILDEFKHFWSDDFDVVHRELGCAIICMSNKFSLMDDDVRMHHVNMDEYIKSFPNGQVLAEKMVKLIHNCEKQFDTETDDCTRVVKVAACEKEDSRKEGIAPEVAMVEAVIEKY
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                                          (00:02:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:23)

• Minimal score value: -3.8495
• Maximal score value: 0.6578
• Average score: -1.2021
• Total score value: -169.4936

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	-1.0730
2	A	A	-1.5635
3	E	A	-2.2275
4	V	A	0.0000
5	M	A	0.0000
6	S	A	0.0000
7	H	A	-0.7596
8	V	A	0.0000
9	T	A	0.0000
10	A	A	0.0000
11	H	A	-0.5882
12	F	A	-0.6255
13	G	A	-1.3171
14	K	A	-2.4192
15	T	A	0.0000
16	L	A	0.0000
17	E	A	-3.5192
18	E	A	-3.5653
19	C	A	0.0000
20	R	A	0.0000
21	E	A	-3.5646
22	E	A	-3.1587
23	S	A	0.0000
24	G	A	-1.8378
25	L	A	0.0000
26	S	A	-0.5676
27	V	A	-0.1913
28	D	A	-1.2487
29	I	A	-0.6486
30	L	A	0.0000
31	D	A	-2.2704
32	E	A	-2.2006
33	F	A	0.0000
34	K	A	-1.4287
35	H	A	-1.9045
36	F	A	0.0000
37	W	A	0.0000
38	S	A	-2.1609
39	D	A	-3.1698
40	D	A	-3.0563
41	F	A	-1.8337
42	D	A	-1.9519
43	V	A	0.0000
44	V	A	0.4573
45	H	A	-0.8287
46	R	A	-1.8940
47	E	A	-1.5415
48	L	A	0.0000
49	G	A	0.0000
50	C	A	-0.8412
51	A	A	0.0000
52	I	A	0.0160
53	I	A	-0.2107
54	C	A	-0.8737
55	M	A	0.0000
56	S	A	0.0000
57	N	A	-1.8391
58	K	A	-1.9108
59	F	A	-0.8532
60	S	A	-1.1362
61	L	A	0.0000
62	M	A	-1.6275
63	D	A	-2.3858
64	D	A	-3.0047
65	D	A	-2.9480
66	V	A	-1.7463
67	R	A	-1.9012
68	M	A	0.0000
69	H	A	-0.9580
70	H	A	-0.7417
71	V	A	0.6578
72	N	A	-0.5593
73	M	A	-0.7891
74	D	A	-1.7616
75	E	A	-2.1779
76	Y	A	-1.0258
77	I	A	0.0000
78	K	A	-2.5664
79	S	A	-1.5112
80	F	A	-1.1539
81	P	A	-1.3325
82	N	A	-1.9135
83	G	A	0.0000
84	Q	A	-2.1646
85	V	A	-0.4590
86	L	A	0.0000
87	A	A	0.0000
88	E	A	-2.7732
89	K	A	-2.2045
90	M	A	0.0000
91	V	A	0.0000
92	K	A	-2.7991
93	L	A	0.0000
94	I	A	-1.4958
95	H	A	-2.2978
96	N	A	-2.7802
97	C	A	0.0000
98	E	A	-2.6175
99	K	A	-3.3541
100	Q	A	-2.8481
101	F	A	-2.0271
102	D	A	-2.7857
103	T	A	-1.5299
104	E	A	-1.4683
105	T	A	-1.0677
106	D	A	-1.4782
107	D	A	-1.5288
108	C	A	-1.1228
109	T	A	-1.0995
110	R	A	0.0000
111	V	A	0.0000
112	V	A	0.0000
113	K	A	-0.9136
114	V	A	-1.2651
115	A	A	0.0000
116	A	A	-0.8122
117	C	A	-1.3171
118	E	A	-1.6444
119	K	A	0.0000
120	E	A	-3.2034
121	D	A	-3.4343
122	S	A	0.0000
123	R	A	-3.2234
124	K	A	-3.8495
125	E	A	-3.5564
126	G	A	-2.2226
127	I	A	0.0000
128	A	A	-2.0534
129	P	A	0.0000
130	E	A	-2.3062
131	V	A	-1.2147
132	A	A	-0.6148
133	M	A	-0.8271
134	V	A	0.0000
135	E	A	-1.4250
136	A	A	-0.8163
137	V	A	-0.8120
138	I	A	-0.7312
139	E	A	-2.0426
140	K	A	-1.7553
141	Y	A	0.2035