Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVYHRSMLWYRQAPGKEREWVAAIKSNGAGTWYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCTVGVGTNYWGQGTQVTVS
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                                          (00:02:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:25)

• Minimal score value: -3.5681
• Maximal score value: 1.3366
• Average score: -0.8485
• Total score value: -96.7309

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	Q	A	-1.3750
2	V	A	-0.5926
3	Q	A	-0.7873
4	L	A	0.0000
5	V	A	0.4270
6	E	A	0.0000
7	S	A	-0.7487
8	G	A	-1.0536
9	G	A	-0.8503
10	G	A	-0.0821
11	L	A	1.0045
12	V	A	-0.0235
13	Q	A	-1.2364
14	A	A	-1.3959
15	G	A	-1.3146
16	G	A	-0.8711
17	S	A	-1.2866
18	L	A	-1.0154
19	R	A	-2.2826
20	L	A	0.0000
21	S	A	-0.5571
22	C	A	0.0000
23	A	A	-0.3290
24	A	A	0.0000
25	S	A	-0.6883
26	G	A	-0.9014
27	F	A	-0.5743
28	P	A	-0.8837
29	V	A	0.0000
30	Y	A	-1.2073
31	H	A	-1.9068
32	R	A	-2.3151
33	S	A	-1.4135
34	M	A	0.0000
35	L	A	0.0000
36	W	A	0.0000
37	Y	A	-0.3832
38	R	A	-1.2525
39	Q	A	-2.1384
40	A	A	-2.0629
41	P	A	-1.4641
42	G	A	-1.9763
43	K	A	-3.3782
44	E	A	-3.5681
45	R	A	-2.7762
46	E	A	-1.7708
47	W	A	-0.5594
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	K	A	-2.1003
53	S	A	-2.2033
54	N	A	-2.1598
55	G	A	-1.7063
56	A	A	-0.8279
57	G	A	-0.6695
58	T	A	-0.0636
59	W	A	0.1272
60	Y	A	-0.5253
61	A	A	-1.1764
62	D	A	-2.3363
63	S	A	-1.7646
64	V	A	0.0000
65	K	A	-2.5281
66	G	A	-1.7809
67	R	A	-1.5303
68	F	A	0.0000
69	T	A	-0.8887
70	I	A	0.0000
71	S	A	-0.7588
72	R	A	-1.3820
73	D	A	-1.8416
74	N	A	-2.3351
75	A	A	-1.6178
76	K	A	-2.4513
77	N	A	-1.6486
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7685
81	L	A	0.0000
82	Q	A	-1.5899
83	M	A	0.0000
84	N	A	-1.4553
85	S	A	-1.1886
86	L	A	0.0000
87	K	A	-2.2788
88	P	A	-1.9008
89	E	A	-2.3296
90	D	A	0.0000
91	T	A	-0.9946
92	A	A	0.0000
93	V	A	-0.7153
94	Y	A	0.0000
95	Y	A	-0.2586
96	C	A	0.0000
97	T	A	0.0000
98	V	A	0.0000
99	G	A	0.0024
100	V	A	1.3366
101	G	A	0.1436
102	T	A	-0.1242
103	N	A	-0.7501
104	Y	A	-0.0448
105	W	A	0.1583
106	G	A	-0.2318
107	Q	A	-1.0307
108	G	A	-0.6456
109	T	A	0.0000
110	Q	A	-1.2282
111	V	A	0.0000
112	T	A	-0.3271
113	V	A	0.0000
114	S	A	-0.7492