Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVESRTMYWYRQAPGKEREWVAAIRSHGKMTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCWVWVGSNHYKGQGTQVTVS
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                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:56)

• Minimal score value: -3.5959
• Maximal score value: 0.9795
• Average score: -0.914
• Total score value: -105.1098

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	-1.5562
2	V	A	-1.3031
3	Q	A	-1.4703
4	L	A	0.0000
5	V	A	0.7690
6	E	A	0.0000
7	S	A	-0.5726
8	G	A	-1.1796
9	G	A	-0.8296
10	G	A	-0.0813
11	L	A	0.9795
12	V	A	0.0000
13	Q	A	-1.3295
14	A	A	-1.4772
15	G	A	-1.3710
16	G	A	-0.9169
17	S	A	-1.2235
18	L	A	-0.9267
19	R	A	-2.1306
20	L	A	0.0000
21	S	A	-0.3671
22	C	A	0.0000
23	A	A	-0.1119
24	A	A	0.0000
25	S	A	-0.8021
26	G	A	-1.0843
27	F	A	-0.7158
28	P	A	-1.2972
29	V	A	0.0000
30	E	A	-2.5133
31	S	A	-1.4611
32	R	A	-1.0779
33	T	A	-0.5718
34	M	A	0.0000
35	Y	A	0.2469
36	W	A	0.0000
37	Y	A	-0.1162
38	R	A	0.0000
39	Q	A	-1.8860
40	A	A	-1.9987
41	P	A	-1.4195
42	G	A	-1.9696
43	K	A	-3.3609
44	E	A	-3.5959
45	R	A	-2.7866
46	E	A	-1.7441
47	W	A	-0.4293
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	R	A	-1.3409
53	S	A	-1.7985
54	H	A	-2.4019
55	G	A	-2.0714
56	K	A	-1.8611
57	M	A	-0.3995
58	T	A	0.0479
59	Y	A	0.2198
60	Y	A	-0.5929
61	A	A	0.0000
62	D	A	-2.3502
63	S	A	-1.7615
64	V	A	0.0000
65	K	A	-2.5514
66	G	A	-1.7728
67	R	A	-1.4851
68	F	A	0.0000
69	T	A	-0.8050
70	I	A	0.0000
71	S	A	-0.6359
72	R	A	-1.5674
73	D	A	-2.1216
74	N	A	-2.8340
75	A	A	-1.8808
76	K	A	-2.4627
77	N	A	-2.1048
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6701
81	L	A	0.0000
82	Q	A	-1.2554
83	M	A	0.0000
84	N	A	-1.3869
85	S	A	-1.2175
86	L	A	0.0000
87	K	A	-2.4359
88	P	A	-1.9724
89	E	A	-2.3710
90	D	A	0.0000
91	T	A	-0.9647
92	A	A	0.0000
93	V	A	-0.5173
94	Y	A	0.0000
95	Y	A	-0.4427
96	C	A	0.0000
97	W	A	-0.5016
98	V	A	0.0000
99	W	A	-0.0661
100	V	A	-0.1556
101	G	A	-0.6913
102	S	A	-0.9746
103	N	A	-1.5200
104	H	A	-1.4011
105	Y	A	-1.1447
106	K	A	-1.7511
107	G	A	-1.0480
108	Q	A	-1.4089
109	G	A	0.0000
110	T	A	-0.6943
111	Q	A	-1.1412
112	V	A	0.0000
113	T	A	-0.3510
114	V	A	0.0000
115	S	A	-0.8127