Project name: HIL4

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]                                                (00:00:00)
[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                                          (00:03:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:32)

• Minimal score value: -3.6381
• Maximal score value: 0.9742
• Average score: -1.2749
• Total score value: -164.4639

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	-1.6625
2	K	A	-2.1678
3	C	A	-0.6746
4	D	A	-0.6386
5	I	A	0.9742
6	T	A	-0.3492
7	L	A	0.0000
8	Q	A	-1.0787
9	E	A	-1.6154
10	I	A	0.0000
11	I	A	0.0000
12	K	A	-2.4518
13	T	A	0.0000
14	L	A	0.0000
15	N	A	-2.1197
16	S	A	-1.4574
17	L	A	0.0000
18	T	A	-2.2637
19	E	A	-2.6026
20	Q	A	-2.4694
21	K	A	-2.6670
22	T	A	-1.2659
23	L	A	0.1679
24	C	A	0.0000
25	T	A	0.0000
26	E	A	-1.9993
27	L	A	-0.8904
28	T	A	-1.0782
29	V	A	0.0000
30	T	A	-0.9952
31	D	A	0.0000
32	I	A	0.0000
33	F	A	-0.5021
34	A	A	-0.7748
35	A	A	-1.2310
36	S	A	-1.3062
37	K	A	-2.3734
38	N	A	-2.2717
39	T	A	-2.0609
40	T	A	-2.0580
41	E	A	-2.7329
42	K	A	-2.7625
43	E	A	-2.3523
44	T	A	-1.7006
45	F	A	0.0000
46	C	A	0.0000
47	R	A	0.0000
48	A	A	0.0000
49	A	A	0.0000
50	T	A	-0.7472
51	V	A	0.0000
52	L	A	0.0000
53	R	A	-2.0214
54	Q	A	-1.6091
55	F	A	0.0000
56	Y	A	-2.0528
57	S	A	-2.0537
58	H	A	-2.2335
59	H	A	-2.3515
60	E	A	-3.0983
61	K	A	-3.0998
62	D	A	-2.2399
63	T	A	-1.5637
64	R	A	-1.6032
65	C	A	0.0000
66	L	A	-1.4561
67	G	A	-1.0630
68	A	A	-0.4349
69	T	A	-0.8072
70	A	A	-0.9987
71	Q	A	-2.2576
72	Q	A	-2.2079
73	F	A	-1.3763
74	H	A	-2.6537
75	R	A	-3.3680
76	H	A	0.0000
77	K	A	-3.6381
78	Q	A	-2.8843
79	L	A	0.0000
80	I	A	0.0000
81	R	A	-3.5181
82	F	A	-2.2298
83	L	A	0.0000
84	K	A	-3.3721
85	R	A	-3.2577
86	L	A	0.0000
87	D	A	0.0000
88	R	A	-2.8754
89	N	A	0.0000
90	L	A	0.0000
91	W	A	-1.0881
92	G	A	-1.0803
93	L	A	0.0000
94	A	A	0.0000
95	G	A	-1.0495
96	L	A	-0.9911
97	N	A	-1.4130
98	S	A	-0.9237
99	C	A	0.0000
100	P	A	-0.8633
101	V	A	-0.7425
102	K	A	-1.8039
103	E	A	-1.3949
104	A	A	-1.2153
105	N	A	-1.8470
106	Q	A	-1.4873
107	S	A	-1.3023
108	T	A	-1.4255
109	L	A	0.0000
110	E	A	-2.9178
111	N	A	-2.2141
112	F	A	0.0000
113	L	A	0.0000
114	E	A	-2.6970
115	R	A	-2.1709
116	L	A	0.0000
117	K	A	-2.1895
118	T	A	-1.7641
119	I	A	-1.3193
120	M	A	0.0000
121	R	A	-2.7513
122	E	A	-2.9504
123	K	A	-2.2832
124	Y	A	-1.4842
125	S	A	-1.8437
126	K	A	-2.3399
127	C	A	-1.3175
128	S	A	-0.5510
129	S	A	-0.5376