Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQPGGSLRLSCAASGFTLSTRVMSWVRQAPGKGLEGVASIYSGGDTYYADSVKGRFTISRDNAKNTLYLQMNNLKTEDSAMYYCALGSQKGQGTQVTVSS
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -2.8663
• Maximal score value: 1.0372
• Average score: -0.8367
• Total score value: -92.8792

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	-1.2224
2	V	A	-0.6452
3	Q	A	-1.6832
4	L	A	0.0000
5	Q	A	-1.3151
6	E	A	0.0000
7	S	A	-1.0478
8	G	A	-1.1762
9	G	A	-0.8195
10	G	A	-0.0402
11	L	A	1.0372
12	V	A	-0.0240
13	Q	A	-1.4893
14	P	A	-1.9821
15	G	A	-2.0775
16	G	A	-1.5072
17	S	A	-1.7515
18	L	A	-1.3273
19	R	A	-2.3856
20	L	A	0.0000
21	S	A	-0.8129
22	C	A	0.0000
23	A	A	-0.8421
24	A	A	0.0000
25	S	A	-0.7666
26	G	A	-0.7469
27	F	A	-0.3983
28	T	A	-0.7189
29	L	A	0.0000
30	S	A	-0.9204
31	T	A	-0.6231
32	R	A	-0.7688
33	V	A	0.2094
34	M	A	0.0000
35	S	A	0.1456
36	W	A	0.0000
37	V	A	0.0571
38	R	A	0.0000
39	Q	A	-0.8877
40	A	A	-1.3496
41	P	A	-1.1673
42	G	A	-1.4700
43	K	A	-2.1352
44	G	A	-1.1066
45	L	A	0.1647
46	E	A	-0.3063
47	G	A	-0.0719
48	V	A	0.0000
49	A	A	0.0000
50	S	A	0.4243
51	I	A	0.0000
52	Y	A	0.0729
53	S	A	-0.5840
54	G	A	-0.9816
55	G	A	-1.0501
56	D	A	-1.4913
57	T	A	-0.1770
58	Y	A	0.4620
59	Y	A	-0.3899
60	A	A	0.0000
61	D	A	-2.3284
62	S	A	-1.8254
63	V	A	0.0000
64	K	A	-2.4518
65	G	A	-1.9904
66	R	A	-2.0645
67	F	A	0.0000
68	T	A	-0.9651
69	I	A	0.0000
70	S	A	-0.7332
71	R	A	-1.3348
72	D	A	-2.0187
73	N	A	-2.3563
74	A	A	-1.7392
75	K	A	-2.4606
76	N	A	-1.8172
77	T	A	-1.3968
78	L	A	0.0000
79	Y	A	-0.7960
80	L	A	0.0000
81	Q	A	-1.7692
82	M	A	0.0000
83	N	A	-2.8068
84	N	A	-2.7466
85	L	A	0.0000
86	K	A	-2.8663
87	T	A	-1.9316
88	E	A	-2.3623
89	D	A	0.0000
90	S	A	-0.9701
91	A	A	0.0000
92	M	A	-0.4128
93	Y	A	0.0000
94	Y	A	-0.6297
95	C	A	0.0000
96	A	A	0.0000
97	L	A	0.0000
98	G	A	-0.9569
99	S	A	-1.0149
100	Q	A	-1.4839
101	K	A	-1.8597
102	G	A	-1.5609
103	Q	A	-1.7928
104	G	A	0.0000
105	T	A	-1.0287
106	Q	A	-1.2054
107	V	A	0.0000
108	T	A	-0.3356
109	V	A	0.0000
110	S	A	-0.6879
111	S	A	-0.4913