Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGWTQPFQISWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVSLRPYWYSGTLQVEATVNVKIFQ
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -3.0366
• Maximal score value: 1.9444
• Average score: -0.5984
• Total score value: -61.0339

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	L	A	0.9065
2	Q	A	-0.9373
3	V	A	0.0000
4	D	A	-1.2769
5	I	A	0.0000
6	V	A	1.0820
7	P	A	0.1957
8	S	A	-0.5792
9	Q	A	-1.6422
10	G	A	0.0000
11	E	A	-2.4458
12	I	A	0.0000
13	S	A	-0.9274
14	V	A	-0.2765
15	G	A	-1.3237
16	E	A	-2.2861
17	S	A	-1.0872
18	K	A	-0.4779
19	F	A	1.9444
20	F	A	0.0000
21	L	A	0.9602
22	C	A	0.0000
23	Q	A	-1.3464
24	V	A	0.0000
25	A	A	-0.4039
26	G	A	-0.1249
27	W	A	0.1557
28	T	A	-0.3121
29	Q	A	-0.3296
30	P	A	-1.0426
31	F	A	-1.2098
32	Q	A	-1.6932
33	I	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.0894
37	S	A	-1.1772
38	P	A	-1.1177
39	N	A	-1.9648
40	G	A	-2.0665
41	E	A	-2.9184
42	K	A	-2.1721
43	L	A	0.0000
44	T	A	-1.0689
45	P	A	-1.0007
46	N	A	-2.2174
47	Q	A	-2.5483
48	Q	A	-2.3998
49	R	A	-1.7937
50	I	A	0.0000
51	S	A	-0.4397
52	V	A	0.0000
53	V	A	0.9082
54	W	A	-0.2071
55	N	A	-1.6910
56	D	A	-2.9110
57	D	A	-3.0366
58	S	A	-1.9439
59	S	A	-1.5359
60	S	A	0.0000
61	T	A	0.8205
62	L	A	0.0000
63	T	A	0.8520
64	I	A	0.0000
65	Y	A	-0.7175
66	N	A	-2.0282
67	A	A	0.0000
68	N	A	-1.0165
69	I	A	0.0616
70	D	A	-1.5355
71	D	A	0.0000
72	A	A	-0.5330
73	G	A	-0.1342
74	I	A	0.6037
75	Y	A	0.0000
76	K	A	-0.9563
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	S	A	-1.2615
81	L	A	0.0000
82	R	A	-1.4865
83	P	A	0.0000
84	Y	A	1.5945
85	W	A	1.8489
86	Y	A	1.2489
87	S	A	0.3226
88	G	A	-0.1436
89	T	A	-0.7002
90	L	A	-0.4411
91	Q	A	-1.5227
92	V	A	-0.9382
93	E	A	-1.9912
94	A	A	-1.2213
95	T	A	-0.5391
96	V	A	0.0000
97	N	A	-0.9650
98	V	A	0.0000
99	K	A	-1.2952
100	I	A	0.0000
101	F	A	0.1810
102	Q	A	-0.2707