Project name: query_structure

Chain sequence(s)	F: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFHIEYAEPWVWGEAIVLTVPGSERSYDLTGLKPGTEYVVFIGGVKGGHNSTPLSAIFTTGGHHH
Selected Chain(s)	F
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 F 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                                          (00:01:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:40)

• Minimal score value: -3.3552
• Maximal score value: 2.4757
• Average score: -0.6802
• Total score value: -64.6161

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	M	F	0.5711
2	L	F	-0.0334
3	P	F	-0.2986
4	A	F	-0.4800
5	P	F	0.0000
6	K	F	-1.9557
7	N	F	-1.4169
8	L	F	0.0515
9	V	F	1.5557
10	V	F	0.8692
11	S	F	-0.5175
12	R	F	-1.8202
13	V	F	-1.0785
14	T	F	-1.7298
15	E	F	-3.1629
16	D	F	-2.9999
17	S	F	-2.1561
18	A	F	0.0000
19	R	F	-1.0748
20	L	F	0.0000
21	S	F	-0.2702
22	W	F	0.0000
23	T	F	-1.1938
24	A	F	-1.3455
25	P	F	-1.2942
26	D	F	-2.0359
27	A	F	-1.3348
28	A	F	-1.1282
29	F	F	0.0000
30	D	F	-2.6788
31	S	F	-1.7174
32	F	F	0.0000
33	H	F	-0.2850
34	I	F	0.0000
35	E	F	0.5873
36	Y	F	0.7152
37	A	F	0.0000
38	E	F	-0.6434
39	P	F	0.3800
40	W	F	1.3284
41	V	F	0.8950
42	W	F	0.9445
43	G	F	-0.3121
44	E	F	-1.0329
45	A	F	0.6279
46	I	F	2.3370
47	V	F	2.4757
48	L	F	1.2646
49	T	F	0.1859
50	V	F	-0.6129
51	P	F	-1.2221
52	G	F	0.0000
53	S	F	-1.7252
54	E	F	-2.0255
55	R	F	-1.0889
56	S	F	-0.5895
57	Y	F	-0.6348
58	D	F	-1.4793
59	L	F	0.0000
60	T	F	-1.4201
61	G	F	-1.6024
62	L	F	0.0000
63	K	F	-3.3552
64	P	F	-3.1662
65	G	F	-2.6073
66	T	F	0.0000
67	E	F	-1.4723
68	Y	F	0.0000
69	V	F	0.0000
70	V	F	0.0000
71	F	F	0.4176
72	I	F	0.0000
73	G	F	-0.5986
74	G	F	0.0000
75	V	F	-1.9210
76	K	F	-2.5889
77	G	F	-2.1104
78	G	F	-1.9534
79	H	F	-1.9041
80	N	F	-2.0847
81	S	F	0.0000
82	T	F	-0.1332
83	P	F	-0.6078
84	L	F	-0.3662
85	S	F	0.4239
86	A	F	1.4595
87	I	F	1.9323
88	F	F	0.0000
89	T	F	-0.8812
90	T	F	0.0000
91	G	F	-2.1434
92	G	F	-2.3697
93	H	F	-2.4293
94	H	F	-2.5790
95	H	F	-1.9693