Project name: query_structure

Chain sequence(s)	A: DVQLQESGGGLVQPGGSLRLSCAASGFLFSDTYMTWARQAPGKGLEWLGGISKDGSGTLYEDSVEGRFTISRDNAKNTLYLQMNSLKSEDTALYYCSTGALLPTRPQGQGTQVTVSS
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]                                                (00:00:01)
[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 A 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                                          (00:01:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -3.1154
• Maximal score value: 2.2357
• Average score: -0.8271
• Total score value: -96.7715

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	D	A	-1.7707
2	V	A	-0.5768
3	Q	A	-1.5212
4	L	A	0.0000
5	Q	A	-1.4441
6	E	A	0.0000
7	S	A	-1.1849
8	G	A	-1.2075
9	G	A	-0.8463
10	G	A	-0.0508
11	L	A	1.0440
12	V	A	-0.0232
13	Q	A	-1.3432
14	P	A	-1.6983
15	G	A	-1.5532
16	G	A	-1.0920
17	S	A	-1.5479
18	L	A	-1.1388
19	R	A	-2.3393
20	L	A	0.0000
21	S	A	-0.8360
22	C	A	0.0000
23	A	A	-0.9282
24	A	A	0.0000
25	S	A	-0.5782
26	G	A	-0.5680
27	F	A	0.3126
28	L	A	0.8053
29	F	A	0.0000
30	S	A	-1.8365
31	D	A	-2.1302
32	T	A	-1.1718
33	Y	A	-1.0498
34	M	A	0.0000
35	T	A	0.0000
36	W	A	0.0000
37	A	A	-0.3295
38	R	A	-0.9204
39	Q	A	-1.4396
40	A	A	0.0000
41	P	A	-1.1940
42	G	A	-1.5666
43	K	A	-2.4592
44	G	A	-1.6578
45	L	A	-0.9790
46	E	A	-1.0891
47	W	A	0.0967
48	L	A	0.0000
49	G	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	S	A	-1.4849
53	K	A	-2.8493
54	D	A	-3.1154
55	G	A	-1.8567
56	S	A	-1.2182
57	G	A	-0.5506
58	T	A	0.4737
59	L	A	0.7311
60	Y	A	-0.6171
61	E	A	-1.9403
62	D	A	-2.7729
63	S	A	-1.9231
64	V	A	0.0000
65	E	A	-2.8020
66	G	A	-2.0314
67	R	A	-1.7082
68	F	A	0.0000
69	T	A	-0.9652
70	I	A	0.0000
71	S	A	-0.4650
72	R	A	-1.3721
73	D	A	-1.6917
74	N	A	-2.1287
75	A	A	-1.3949
76	K	A	-2.2854
77	N	A	-1.4889
78	T	A	-1.2541
79	L	A	0.0000
80	Y	A	-0.6212
81	L	A	0.0000
82	Q	A	-1.6741
83	M	A	0.0000
84	N	A	-2.1951
85	S	A	-1.5610
86	L	A	0.0000
87	K	A	-2.4010
88	S	A	-1.9578
89	E	A	-2.3349
90	D	A	0.0000
91	T	A	-0.9755
92	A	A	0.0000
93	L	A	-0.5136
94	Y	A	0.0000
95	Y	A	-0.8263
96	C	A	0.0000
97	S	A	-0.5240
98	T	A	0.1874
99	G	A	0.3032
100	A	A	1.0880
101	L	A	2.2357
102	L	A	1.8790
103	P	A	0.2599
104	T	A	-0.4315
105	R	A	-1.8659
106	P	A	-1.5608
107	Q	A	-1.5457
108	G	A	-1.5242
109	Q	A	-1.7295
110	G	A	-1.1840
111	T	A	0.0000
112	Q	A	-1.2288
113	V	A	0.0000
114	T	A	-0.3062
115	V	A	0.0000
116	S	A	-0.6782
117	S	A	-0.5606