Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVYWNNMYWYRQAPGKEREWVAAINSSGKYTHYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDNGAWWYYYDYWGQGTQVTVS
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -3.7364
• Maximal score value: 2.6815
• Average score: -0.6778
• Total score value: -81.3386

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	-1.4613
2	V	A	-0.7863
3	Q	A	-0.9122
4	L	A	0.0000
5	V	A	0.9760
6	E	A	0.0000
7	S	A	-0.6090
8	G	A	-1.0677
9	G	A	-0.8632
10	G	A	-0.0911
11	L	A	0.9209
12	V	A	0.0000
13	Q	A	-1.3552
14	A	A	-1.5916
15	G	A	-1.4959
16	G	A	-1.0529
17	S	A	-1.4693
18	L	A	-1.1166
19	R	A	-2.3209
20	L	A	0.0000
21	S	A	-0.4490
22	C	A	0.0000
23	A	A	-0.1306
24	A	A	0.0000
25	S	A	-0.6554
26	G	A	-0.9582
27	F	A	-0.0178
28	P	A	0.0593
29	V	A	0.0000
30	Y	A	1.0497
31	W	A	1.3196
32	N	A	0.0315
33	N	A	-0.4742
34	M	A	0.0000
35	Y	A	0.0287
36	W	A	0.0000
37	Y	A	-0.4662
38	R	A	-1.3898
39	Q	A	-2.3066
40	A	A	-2.1487
41	P	A	-1.4947
42	G	A	-2.0067
43	K	A	-3.4684
44	E	A	-3.7364
45	R	A	-3.0960
46	E	A	-2.0595
47	W	A	-0.6418
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	N	A	-0.4632
53	S	A	0.0286
54	S	A	-0.3102
55	G	A	-0.8782
56	K	A	-1.2532
57	Y	A	0.0425
58	T	A	-0.3715
59	H	A	-1.0742
60	Y	A	-1.3306
61	A	A	-1.5650
62	D	A	-2.5521
63	S	A	-1.7766
64	V	A	0.0000
65	K	A	-2.7894
66	G	A	-1.8795
67	R	A	-1.7756
68	F	A	0.0000
69	T	A	-1.1818
70	I	A	0.0000
71	S	A	-0.6880
72	R	A	-1.2271
73	D	A	-1.7341
74	N	A	-1.7631
75	A	A	-1.5112
76	K	A	-2.4112
77	N	A	-1.5408
78	T	A	-0.9467
79	V	A	0.0000
80	Y	A	-0.7472
81	L	A	0.0000
82	Q	A	-1.6402
83	M	A	0.0000
84	N	A	-1.9853
85	S	A	-1.4626
86	L	A	0.0000
87	K	A	-2.6881
88	P	A	-2.0924
89	E	A	-2.4543
90	D	A	0.0000
91	T	A	-1.0693
92	A	A	0.0000
93	V	A	-0.7299
94	Y	A	0.0000
95	Y	A	-0.2111
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.2760
100	D	A	-1.0637
101	N	A	-1.7348
102	G	A	-0.4914
103	A	A	0.7024
104	W	A	2.0555
105	W	A	2.6815
106	Y	A	2.6637
107	Y	A	1.8448
108	Y	A	0.9833
109	D	A	-0.5831
110	Y	A	-0.2877
111	W	A	-0.0067
112	G	A	-0.0836
113	Q	A	-0.9461
114	G	A	0.0000
115	T	A	0.0000
116	Q	A	-1.2037
117	V	A	0.0000
118	T	A	-0.4039
119	V	A	0.0000
120	S	A	-0.8490