Project name: OGtop

Chain sequence(s)	B: FGKRPTDLALSVILVFMLGGGGGGGRLKNIGGGGGYDGDLKDKVPYKGIVISLVLVGGGGGGGNVQLCSTILNVAFPPEVIGPLFFFPLLYM
Selected Chain(s)	B
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 B 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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -3.1125
• Maximal score value: 4.5667
• Average score: 0.4585
• Total score value: 42.1814

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	F	B	0.5212
2	G	B	-0.9258
3	K	B	-2.3164
4	R	B	-2.4971
5	P	B	-1.1444
6	T	B	-0.6113
7	D	B	-0.6724
8	L	B	0.7615
9	A	B	1.4040
10	L	B	2.3119
11	S	B	2.4514
12	V	B	3.3763
13	I	B	4.2584
14	L	B	4.1908
15	V	B	4.5667
16	F	B	4.5026
17	M	B	3.4512
18	L	B	3.1386
19	G	B	1.5062
20	G	B	0.3310
21	G	B	0.0554
22	G	B	-0.5988
23	G	B	-1.0170
24	G	B	-1.1466
25	G	B	-1.5112
26	R	B	-1.9957
27	L	B	-0.7200
28	K	B	-2.0308
29	N	B	-1.9959
30	I	B	-0.4288
31	G	B	-1.0712
32	G	B	-1.3388
33	G	B	-1.2266
34	G	B	-1.1541
35	G	B	-1.4533
36	Y	B	-0.9340
37	D	B	-2.0078
38	G	B	-1.8926
39	D	B	-3.0095
40	L	B	-1.9436
41	K	B	-3.1125
42	D	B	-2.7209
43	K	B	-1.3883
44	V	B	-0.1405
45	P	B	0.1047
46	Y	B	0.9251
47	K	B	0.0904
48	G	B	1.0799
49	I	B	2.6335
50	V	B	3.6955
51	I	B	3.4227
52	S	B	3.1120
53	L	B	3.9288
54	V	B	4.3024
55	L	B	3.8247
56	V	B	2.9606
57	G	B	1.3465
58	G	B	-0.1280
59	G	B	-0.3561
60	G	B	-0.9660
61	G	B	-1.2976
62	G	B	-1.4291
63	G	B	-1.2603
64	N	B	-1.4437
65	V	B	0.1390
66	Q	B	-0.8527
67	L	B	-0.0614
68	C	B	0.4422
69	S	B	0.6223
70	T	B	0.3833
71	I	B	0.4802
72	L	B	1.1037
73	N	B	0.7163
74	V	B	1.3763
75	A	B	0.2462
76	F	B	0.7529
77	P	B	-0.0568
78	P	B	-0.4935
79	E	B	-1.1591
80	V	B	0.7849
81	I	B	0.0000
82	G	B	-0.2318
83	P	B	0.1394
84	L	B	0.0000
85	F	B	1.6141
86	F	B	2.6599
87	F	B	2.7712
88	P	B	0.0000
89	L	B	3.2652
90	L	B	3.6833
91	Y	B	3.1319
92	M	B	2.3571