Project name: HF2

Chain sequence(s)	X: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Selected Chain(s)	X
Distance of aggregation	5 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 X 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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -2.3068
• Maximal score value: 1.9619
• Average score: -0.4573
• Total score value: -58.9913

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	K	X	-1.6326
2	V	X	0.4591
3	F	X	1.9619
4	G	X	-0.0777
5	R	X	-0.7627
6	C	X	-0.2506
7	E	X	-1.7837
8	L	X	0.0000
9	A	X	0.0000
10	A	X	-0.0618
11	A	X	-0.2075
12	M	X	0.0000
13	K	X	-1.0646
14	R	X	-2.0070
15	H	X	-0.6553
16	G	X	-0.5644
17	L	X	0.0000
18	D	X	-1.1730
19	N	X	-1.3622
20	Y	X	-0.1488
21	R	X	-1.8600
22	G	X	-0.7741
23	Y	X	-0.0817
24	S	X	-0.2868
25	L	X	0.0000
26	G	X	0.0000
27	N	X	-0.1643
28	W	X	0.0000
29	V	X	0.0000
30	C	X	0.0000
31	A	X	0.0000
32	A	X	0.0000
33	K	X	-0.9184
34	F	X	0.3366
35	E	X	-0.2621
36	S	X	-0.3162
37	N	X	-1.2880
38	F	X	0.0404
39	N	X	-0.9744
40	T	X	-0.4070
41	Q	X	-1.1989
42	A	X	-0.2163
43	T	X	-0.2442
44	N	X	-1.6150
45	R	X	-2.3068
46	N	X	-1.6767
47	T	X	-0.6097
48	D	X	-1.8846
49	G	X	-0.9315
50	S	X	-0.2547
51	T	X	0.0000
52	D	X	-0.2309
53	Y	X	0.1988
54	G	X	0.0000
55	I	X	0.0000
56	L	X	0.0000
57	Q	X	-0.2725
58	I	X	0.0000
59	N	X	-0.2706
60	S	X	-0.4203
61	R	X	-1.6336
62	W	X	0.8706
63	W	X	0.4744
64	C	X	0.0000
65	N	X	-0.5039
66	D	X	-1.8675
67	G	X	-0.9148
68	R	X	-1.9039
69	T	X	-0.4316
70	P	X	-0.3969
71	G	X	-0.2691
72	S	X	-0.5988
73	R	X	-1.9101
74	N	X	-0.2684
75	L	X	1.0864
76	C	X	0.0000
77	N	X	-0.9427
78	I	X	0.0456
79	P	X	-0.0047
80	C	X	0.0343
81	S	X	-0.1962
82	A	X	-0.0236
83	L	X	0.0000
84	L	X	0.3826
85	S	X	-0.0558
86	S	X	-0.5379
87	D	X	-1.8260
88	I	X	0.0000
89	T	X	-0.0375
90	A	X	0.0000
91	S	X	0.0000
92	V	X	0.0000
93	N	X	-0.5647
94	C	X	0.0000
95	A	X	0.0000
96	K	X	-0.5637
97	K	X	-0.5532
98	I	X	0.0000
99	V	X	0.0000
100	S	X	-0.5878
101	D	X	-1.8748
102	G	X	-0.7960
103	N	X	-1.3171
104	G	X	0.0000
105	M	X	0.0000
106	N	X	-0.5848
107	A	X	-0.0034
108	W	X	0.5644
109	V	X	1.8163
110	A	X	0.3302
111	W	X	0.0000
112	R	X	-2.0862
113	N	X	-1.9549
114	R	X	-2.0727
115	C	X	0.0000
116	K	X	-1.7824
117	G	X	-0.7793
118	T	X	-0.4732
119	D	X	-1.7215
120	V	X	-0.1076
121	Q	X	-1.1124
122	A	X	-0.3571
123	W	X	0.2175
124	I	X	0.0433
125	R	X	-1.8646
126	G	X	-0.8036
127	C	X	0.0000
128	R	X	-1.5526
129	L	X	1.2005