Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLLLSCAASGFPVSETYMEWYRQAPGKEREWVAAINSWGWYTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVEVGEWYYGQGTQVTVS
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                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)

• Minimal score value: -3.8891
• Maximal score value: 2.4543
• Average score: -0.61
• Total score value: -69.5432

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	-1.4168
2	V	A	-0.6029
3	Q	A	-1.1045
4	L	A	0.0000
5	V	A	0.5207
6	E	A	0.0000
7	S	A	-0.2731
8	G	A	-0.1796
9	G	A	-0.3097
10	G	A	0.1760
11	L	A	0.9211
12	V	A	0.0000
13	Q	A	-1.3305
14	A	A	-1.4761
15	G	A	-1.3785
16	G	A	-0.9318
17	S	A	-0.6155
18	L	A	0.4844
19	L	A	0.8220
20	L	A	0.0000
21	S	A	0.2499
22	C	A	0.0000
23	A	A	-0.2782
24	A	A	0.0000
25	S	A	-0.6900
26	G	A	-0.8865
27	F	A	-0.6436
28	P	A	-1.2596
29	V	A	0.0000
30	S	A	-1.1454
31	E	A	-1.5286
32	T	A	-0.4542
33	Y	A	0.7524
34	M	A	0.0000
35	E	A	0.1759
36	W	A	0.0000
37	Y	A	-0.3650
38	R	A	-1.3694
39	Q	A	-2.3357
40	A	A	-2.1800
41	P	A	-1.5144
42	G	A	-2.0486
43	K	A	-3.5164
44	E	A	-3.8891
45	R	A	-3.3960
46	E	A	-1.9925
47	W	A	-0.5531
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.8895
51	I	A	0.0000
52	N	A	1.1520
53	S	A	0.3160
54	W	A	1.2975
55	G	A	0.9427
56	W	A	2.0731
57	Y	A	2.4543
58	T	A	1.7412
59	Y	A	1.2457
60	Y	A	-0.2250
61	A	A	-1.0182
62	D	A	-2.2650
63	S	A	-1.7675
64	V	A	0.0000
65	K	A	-2.4293
66	G	A	-1.7693
67	R	A	-1.4705
68	F	A	0.0000
69	T	A	-0.3346
70	I	A	0.0000
71	S	A	-0.4191
72	R	A	-1.1034
73	D	A	-1.9488
74	N	A	-2.4421
75	A	A	-1.7299
76	K	A	-2.4522
77	N	A	-1.8285
78	T	A	-1.1554
79	V	A	0.0000
80	Y	A	0.0624
81	L	A	0.0000
82	Q	A	-0.0703
83	M	A	0.0000
84	N	A	-1.0192
85	S	A	-1.2343
86	L	A	0.0000
87	K	A	-2.4224
88	P	A	-2.0061
89	E	A	-2.3862
90	D	A	0.0000
91	T	A	-1.0382
92	A	A	0.0000
93	V	A	-0.7752
94	Y	A	0.0000
95	Y	A	-0.2746
96	C	A	0.0000
97	A	A	0.0000
98	V	A	0.0000
99	E	A	-1.5777
100	V	A	-0.8296
101	G	A	-1.3558
102	E	A	-2.0332
103	W	A	-0.6532
104	Y	A	-0.1264
105	Y	A	0.2664
106	G	A	-0.1603
107	Q	A	-1.0629
108	G	A	-0.6116
109	T	A	0.0000
110	Q	A	-1.2194
111	V	A	0.0000
112	T	A	-0.3895
113	V	A	0.0000
114	S	A	-0.8162