Project name: 4d930093d27c1b3

Chain sequence(s)	A: HKCDITLQEIIKTLNSLTEQKTLCTELTVTDIFAASKNTTEKETFCRAATVLRQFYSHHEKDTRCLGATAQQFHRHKQLIRFLKRLDRNLWGLAGLNSCPVKEANQSTLENFLERLKTIMREKYSKCSS
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                                          (00:04:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:50)

• Minimal score value: -3.292
• Maximal score value: 1.299
• Average score: -1.2688
• Total score value: -163.6753

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	H	A	-1.5596
2	K	A	-2.1735
3	C	A	-0.6409
4	D	A	-0.1605
5	I	A	1.2990
6	T	A	-0.1138
7	L	A	0.0000
8	Q	A	-0.5945
9	E	A	-1.3773
10	I	A	0.0000
11	I	A	-1.4286
12	K	A	-2.1717
13	T	A	0.0000
14	L	A	0.0000
15	N	A	-1.8126
16	S	A	-1.2962
17	L	A	0.0000
18	T	A	-2.1356
19	E	A	-2.7439
20	Q	A	-2.3816
21	K	A	-2.6981
22	T	A	-1.6487
23	L	A	-0.2243
24	C	A	0.0000
25	T	A	0.0000
26	E	A	-2.0599
27	L	A	-0.9287
28	T	A	-0.9788
29	V	A	0.0000
30	T	A	-1.0959
31	D	A	-1.1615
32	I	A	0.0000
33	F	A	-0.3515
34	A	A	-0.4699
35	A	A	-1.0795
36	S	A	-1.2679
37	K	A	-2.3749
38	N	A	-2.4705
39	T	A	-2.0747
40	T	A	-2.0576
41	E	A	-3.2920
42	K	A	-3.0513
43	E	A	-2.5478
44	T	A	-1.6901
45	F	A	0.0000
46	C	A	0.0000
47	R	A	-1.0762
48	A	A	0.0000
49	A	A	0.0000
50	T	A	-0.7530
51	V	A	0.0000
52	L	A	0.0000
53	R	A	-2.0918
54	Q	A	-1.8905
55	F	A	0.0000
56	Y	A	0.0000
57	S	A	-2.1113
58	H	A	-2.3179
59	H	A	-2.3858
60	E	A	-3.1455
61	K	A	-3.0686
62	D	A	-2.3195
63	T	A	-1.6608
64	R	A	-2.0649
65	C	A	0.0000
66	L	A	-1.1799
67	G	A	-0.6534
68	A	A	-0.2404
69	T	A	-0.5238
70	A	A	-0.7576
71	Q	A	-1.8689
72	Q	A	-1.4357
73	F	A	-0.7420
74	H	A	-2.1489
75	R	A	-2.6169
76	H	A	0.0000
77	K	A	-2.9421
78	Q	A	-2.1884
79	L	A	0.0000
80	I	A	-2.3542
81	R	A	-2.9103
82	F	A	-1.8461
83	L	A	0.0000
84	K	A	-2.6329
85	R	A	-2.4628
86	L	A	0.0000
87	D	A	0.0000
88	R	A	-2.4002
89	N	A	-1.4712
90	L	A	0.0000
91	W	A	-0.5667
92	G	A	-0.8905
93	L	A	-1.3474
94	A	A	0.0000
95	G	A	-0.8864
96	L	A	-0.8510
97	N	A	-1.2624
98	S	A	-0.8862
99	C	A	-0.9440
100	P	A	-0.8616
101	V	A	-0.8082
102	K	A	-1.8720
103	E	A	-1.4713
104	A	A	-1.2595
105	N	A	-1.8677
106	Q	A	-1.4788
107	S	A	-1.2176
108	T	A	-1.3161
109	L	A	0.0000
110	E	A	-2.7908
111	N	A	-2.2063
112	F	A	0.0000
113	L	A	0.0000
114	E	A	-3.0219
115	R	A	-2.8084
116	L	A	0.0000
117	K	A	-2.1881
118	T	A	-1.9074
119	I	A	-1.4417
120	M	A	0.0000
121	R	A	-2.7095
122	E	A	-2.9428
123	K	A	-2.3597
124	Y	A	-1.3337
125	S	A	-1.8932
126	K	A	-2.3664
127	C	A	-1.3228
128	S	A	-0.8616
129	S	A	-0.6572