Project name: d346ac084083571

Chain sequence(s)	A: DAITIHSILDWIEDNLESPLSLEKVSERSGYSKWHLQRMFKKETGHSLGQYIRSRKMTEIAQKLKESNEPILYLAERYGFESQQTLTRTFKNYFDVPPHKYRMTNMQGESRFLHPL
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                                          (00:02:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:44)

• Minimal score value: -3.6128
• Maximal score value: 0.9804
• Average score: -1.0877
• Total score value: -126.1719

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
9	D	A	-1.8848
10	A	A	-0.5856
11	I	A	0.9804
12	T	A	-0.1987
13	I	A	0.0000
14	H	A	-0.7838
15	S	A	-0.6020
16	I	A	0.0000
17	L	A	0.0000
18	D	A	-1.9979
19	W	A	-0.8571
20	I	A	0.0000
21	E	A	-1.8557
22	D	A	-2.5486
23	N	A	-1.6590
24	L	A	0.0000
25	E	A	-1.8720
26	S	A	-1.1850
27	P	A	-0.1295
28	L	A	0.5931
29	S	A	0.1469
30	L	A	-0.1720
31	E	A	-1.3408
32	K	A	-2.1204
33	V	A	-0.8822
34	S	A	0.0000
35	E	A	-2.0149
36	R	A	-2.4176
37	S	A	-1.1819
38	G	A	-0.7120
39	Y	A	0.3751
40	S	A	-0.6615
41	K	A	-1.1887
42	W	A	-0.0318
43	H	A	-0.7754
44	L	A	0.0000
45	Q	A	-1.8298
46	R	A	-3.0880
47	M	A	0.0000
48	F	A	0.0000
49	K	A	-3.2349
50	K	A	-3.6128
51	E	A	-2.8706
52	T	A	-1.4445
53	G	A	-2.0266
54	H	A	-1.4740
55	S	A	-1.6768
56	L	A	0.0000
57	G	A	-1.2980
58	Q	A	-1.9753
59	Y	A	0.0000
60	I	A	0.0000
61	R	A	-2.0735
62	S	A	0.0000
63	R	A	0.0000
64	K	A	0.0000
65	M	A	0.0000
66	T	A	0.0000
67	E	A	-0.9817
68	I	A	0.0000
69	A	A	0.0000
70	Q	A	-1.7739
71	K	A	-2.0366
72	L	A	0.0000
73	K	A	-2.6459
74	E	A	-2.9177
75	S	A	-2.3372
76	N	A	-2.3744
77	E	A	-1.5705
78	P	A	-0.5180
79	I	A	-0.1875
80	L	A	0.3666
81	Y	A	0.1050
82	L	A	0.0000
83	A	A	0.0000
84	E	A	-2.0448
85	R	A	-1.4208
86	Y	A	0.0000
87	G	A	-0.7745
88	F	A	-1.1850
89	E	A	-2.2141
90	S	A	-1.5330
91	Q	A	-1.3935
92	Q	A	-2.0020
93	T	A	-1.8262
94	L	A	0.0000
95	T	A	-1.8591
96	R	A	-3.1068
97	T	A	-2.2572
98	F	A	0.0000
99	K	A	-3.0048
100	N	A	-2.6630
101	Y	A	-1.8473
102	F	A	0.0000
103	D	A	-2.6281
104	V	A	-2.1086
105	P	A	-2.2367
106	P	A	0.0000
107	H	A	-1.7575
108	K	A	-2.0637
109	Y	A	0.0000
110	R	A	-1.8134
111	M	A	-0.3403
112	T	A	-0.7562
113	N	A	-0.9005
114	M	A	0.0446
115	Q	A	-1.0221
116	G	A	-1.6428
117	E	A	-2.3558
118	S	A	-1.8852
119	R	A	-2.2448
120	F	A	-1.3811
121	L	A	-0.7963
122	H	A	-0.7005
123	P	A	-0.1712
124	L	A	0.7604