Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVTHSYMAWYRQAPGKEREWVAAITSWGEKTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDSGYQWQWYDYWGQGTQVTVS
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                                          (00:01:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:42)

• Minimal score value: -3.4776
• Maximal score value: 1.2604
• Average score: -0.7275
• Total score value: -87.3028

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	-1.4454
2	V	A	-0.7999
3	Q	A	-0.8457
4	L	A	0.0000
5	V	A	1.2604
6	E	A	0.0000
7	S	A	-0.5315
8	G	A	-1.0281
9	G	A	-0.7770
10	G	A	-0.0455
11	L	A	1.0266
12	V	A	-0.0086
13	Q	A	-1.2364
14	A	A	-1.4303
15	G	A	-1.3510
16	G	A	-0.8867
17	S	A	-1.2176
18	L	A	-0.9055
19	R	A	-2.1320
20	L	A	0.0000
21	S	A	-0.3575
22	C	A	0.0000
23	A	A	-0.0144
24	A	A	0.0000
25	S	A	-0.5854
26	G	A	-0.9969
27	F	A	-0.6134
28	P	A	-0.8892
29	V	A	0.0000
30	T	A	-0.5105
31	H	A	-0.8808
32	S	A	0.0000
33	Y	A	-0.3860
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	Y	A	-0.1893
38	R	A	0.0000
39	Q	A	-1.9763
40	A	A	-1.9792
41	P	A	-1.4032
42	G	A	-1.9685
43	K	A	-3.3432
44	E	A	-3.4776
45	R	A	-2.5368
46	E	A	-1.6670
47	W	A	-0.3980
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	T	A	-0.8804
53	S	A	-0.6723
54	W	A	-0.1504
55	G	A	-1.3821
56	E	A	-2.4073
57	K	A	-2.2944
58	T	A	-0.9645
59	Y	A	-0.0549
60	Y	A	-0.5524
61	A	A	-1.2089
62	D	A	-2.3813
63	S	A	-1.7984
64	V	A	0.0000
65	K	A	-2.5629
66	G	A	-1.8134
67	R	A	-1.5320
68	F	A	0.0000
69	T	A	-0.7915
70	I	A	0.0000
71	S	A	-0.5137
72	R	A	-0.9300
73	D	A	-1.6893
74	N	A	-1.7463
75	A	A	-1.4648
76	K	A	-2.2836
77	N	A	-1.6589
78	T	A	-0.9457
79	V	A	0.0000
80	Y	A	-0.6647
81	L	A	0.0000
82	Q	A	-1.2378
83	M	A	0.0000
84	N	A	-1.4722
85	S	A	-1.2540
86	L	A	0.0000
87	K	A	-2.3830
88	P	A	-1.9352
89	E	A	-2.3676
90	D	A	0.0000
91	T	A	-0.9263
92	A	A	0.0000
93	V	A	-0.3622
94	Y	A	0.0000
95	Y	A	-0.0074
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.0588
100	D	A	-0.6264
101	S	A	-0.2587
102	G	A	0.2489
103	Y	A	0.7855
104	Q	A	-0.2768
105	W	A	0.6274
106	Q	A	-0.4054
107	W	A	0.4426
108	Y	A	0.0588
109	D	A	-1.2282
110	Y	A	-0.3110
111	W	A	0.0321
112	G	A	0.0674
113	Q	A	-0.8753
114	G	A	0.0000
115	T	A	-0.5985
116	Q	A	-1.0774
117	V	A	0.0000
118	T	A	-0.2696
119	V	A	0.0000
120	S	A	-0.7622