Project name: query_structure

Chain sequence(s)	B: AQLHSTVRAVPGNENSLEIEELARFAVDEHNKKENALLEFVRVVKAKEQYEDEHWFPGTMYYLTLEAKDGGKKKLYEAKVWVKNTAAPPSHMNFKELQEFKPV
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                                          (00:02:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:03)

• Minimal score value: -4.2684
• Maximal score value: 1.3106
• Average score: -1.1738
• Total score value: -120.8999

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
2	A	B	-0.9690
3	Q	B	-1.8910
4	L	B	-1.2272
5	H	B	-1.1844
6	S	B	-0.4647
7	T	B	0.1628
8	V	B	0.5536
9	R	B	-0.2824
10	A	B	-0.6581
11	V	B	-1.1293
12	P	B	-1.4329
13	G	B	-1.6060
14	N	B	-2.0958
15	E	B	-1.7333
16	N	B	-1.8316
17	S	B	-1.5507
18	L	B	-0.7791
19	E	B	-2.3390
20	I	B	0.0000
21	E	B	-2.8857
22	E	B	-3.1667
23	L	B	0.0000
24	A	B	0.0000
25	R	B	-3.4622
26	F	B	-2.1582
27	A	B	0.0000
28	V	B	0.0000
29	D	B	-3.4508
30	E	B	-3.2410
31	H	B	-3.1866
32	N	B	-3.1739
33	K	B	-4.0799
34	K	B	-4.2684
35	E	B	-3.8984
36	N	B	-3.2214
37	A	B	-1.7796
38	L	B	-0.2393
39	L	B	0.0000
40	E	B	-2.9187
41	F	B	-2.1136
42	V	B	-1.5331
43	R	B	-2.1176
44	V	B	-1.4490
45	V	B	-0.3035
46	K	B	-1.7843
47	A	B	0.0000
48	K	B	-1.0950
49	E	B	0.0000
50	Q	B	-0.0995
51	Y	B	-0.5485
52	E	B	-1.5948
53	D	B	-2.9782
54	E	B	-2.7429
55	H	B	-1.3494
56	W	B	0.7530
57	F	B	1.2713
58	P	B	-0.3273
59	G	B	0.0000
60	T	B	-0.2749
61	M	B	0.0000
62	Y	B	-0.1300
63	Y	B	-0.6659
64	L	B	0.0000
65	T	B	0.0000
66	L	B	0.0000
67	E	B	-1.7801
68	A	B	0.0000
69	K	B	-3.0757
70	D	B	-2.5633
71	G	B	-1.9553
72	G	B	-2.7402
73	K	B	-3.6956
74	K	B	-3.5683
75	K	B	-1.6968
76	L	B	-0.3491
77	Y	B	0.0000
78	E	B	-0.7655
79	A	B	0.0000
80	K	B	-1.6282
81	V	B	0.0000
82	W	B	-0.7318
83	V	B	0.0000
84	K	B	-0.3304
85	N	B	-0.3781
86	T	B	0.5444
87	A	B	-0.0493
88	A	B	-0.3331
89	P	B	-0.6277
90	P	B	-0.6303
91	S	B	-0.4107
92	H	B	-0.4851
93	M	B	0.5097
94	N	B	0.0124
95	F	B	0.3041
96	K	B	-1.1908
97	E	B	-1.5701
98	L	B	0.0000
99	Q	B	-2.0485
100	E	B	-2.6887
101	F	B	-1.8393
102	K	B	-1.6382
103	P	B	-0.1388
104	V	B	1.3106