Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVYTRWMRWYRQAPGKEREWVAAIESSGNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDSGFNWFWYDYWGQGTQVTVS
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                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:27)

• Minimal score value: -3.5885
• Maximal score value: 2.7016
• Average score: -0.5857
• Total score value: -69.696

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	-1.5531
2	V	A	-1.0682
3	Q	A	-1.0431
4	L	A	0.0000
5	V	A	1.1680
6	E	A	0.0000
7	S	A	-0.4299
8	G	A	-1.0525
9	G	A	-0.8032
10	G	A	-0.0734
11	L	A	1.0141
12	V	A	0.0036
13	Q	A	-1.2197
14	A	A	-1.3802
15	G	A	-1.3080
16	G	A	-0.8554
17	S	A	-1.1933
18	L	A	-0.9171
19	R	A	-2.1373
20	L	A	0.0000
21	S	A	-0.3610
22	C	A	0.0000
23	A	A	-0.0768
24	A	A	0.0000
25	S	A	-0.7942
26	G	A	-1.1841
27	F	A	0.0000
28	P	A	-0.2916
29	V	A	0.0000
30	Y	A	0.4034
31	T	A	-0.5092
32	R	A	-1.7726
33	W	A	-0.9179
34	M	A	0.0000
35	R	A	-0.0154
36	W	A	0.0000
37	Y	A	-0.4377
38	R	A	-1.2248
39	Q	A	-2.1454
40	A	A	-2.0594
41	P	A	-1.4487
42	G	A	-1.9903
43	K	A	-3.3995
44	E	A	-3.5885
45	R	A	-2.7682
46	E	A	-1.8043
47	W	A	-0.6134
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	E	A	-1.0815
53	S	A	-0.9094
54	S	A	-0.8844
55	G	A	-1.1662
56	N	A	-1.0399
57	T	A	-0.2661
58	Y	A	0.0753
59	Y	A	-0.5071
60	A	A	-1.1599
61	D	A	-2.3293
62	S	A	-1.7087
63	V	A	0.0000
64	K	A	-2.5072
65	G	A	-1.7643
66	R	A	-1.4360
67	F	A	0.0000
68	T	A	-0.7597
69	I	A	0.0000
70	S	A	-0.6407
71	R	A	-0.9525
72	D	A	-1.4655
73	N	A	-1.3839
74	A	A	-1.2771
75	K	A	-2.2460
76	N	A	-1.3956
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.6573
80	L	A	0.0000
81	Q	A	-1.2201
82	M	A	0.0000
83	N	A	-1.3976
84	S	A	-1.1897
85	L	A	0.0000
86	K	A	-2.2421
87	P	A	-1.9121
88	E	A	-2.3312
89	D	A	0.0000
90	T	A	-0.9478
91	A	A	0.0000
92	V	A	-0.4790
93	Y	A	0.0000
94	Y	A	-0.1504
95	C	A	0.0000
96	N	A	0.0000
97	V	A	0.0000
98	K	A	-0.4505
99	D	A	0.1535
100	S	A	0.6732
101	G	A	1.4399
102	F	A	1.8887
103	N	A	0.7781
104	W	A	2.0719
105	F	A	2.7016
106	W	A	1.8390
107	Y	A	1.5350
108	D	A	0.2279
109	Y	A	0.1317
110	W	A	0.2322
111	G	A	-0.0756
112	Q	A	-0.8876
113	G	A	0.0000
114	T	A	-0.6432
115	Q	A	-1.1197
116	V	A	0.0000
117	T	A	-0.2695
118	V	A	0.0000
119	S	A	-0.7413