Project name: query_structure

Chain sequence(s)	A: QVQLVESGGALVQPGGSLRLSCAASSSDFSRNALRWYRQAPGKEREWVCGINWTGSGYAYEDSVKGRFTCSRDDARNTVYLQLNSLKPEDTAVYYCAPLACSNCFPYKHYVYWGQGTQVTVSS
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                                          (00:01:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:41)

• Minimal score value: -3.6344
• Maximal score value: 1.8102
• Average score: -0.7298
• Total score value: -89.7679

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	-1.0987
2	V	A	-0.0212
3	Q	A	-0.8494
4	L	A	0.0000
5	V	A	0.7977
6	E	A	-0.1755
7	S	A	-0.7006
8	G	A	-1.1435
9	G	A	-0.6939
10	A	A	0.0556
11	L	A	1.1517
12	V	A	0.0022
13	Q	A	-1.3711
14	P	A	-1.6713
15	G	A	-1.4423
16	G	A	-0.9554
17	S	A	-1.3066
18	L	A	-1.0037
19	R	A	-2.2185
20	L	A	0.0000
21	S	A	-0.4928
22	C	A	0.0000
23	A	A	-0.4374
24	A	A	-0.5916
25	S	A	-0.7387
26	S	A	-0.8012
27	S	A	-1.4030
28	D	A	-1.9885
29	F	A	0.0000
30	S	A	-2.0588
31	R	A	-2.2472
32	N	A	-1.0385
33	A	A	-0.5581
34	L	A	0.0000
35	R	A	-0.2184
36	W	A	0.0000
37	Y	A	-0.7922
38	R	A	-1.4959
39	Q	A	-2.1904
40	A	A	-2.0810
41	P	A	-1.3854
42	G	A	-1.9329
43	K	A	-3.4155
44	E	A	-3.6344
45	R	A	-2.8939
46	E	A	-2.6012
47	W	A	-1.0507
48	V	A	0.0000
49	C	A	0.0000
50	G	A	0.0482
51	I	A	0.0000
52	N	A	-0.5338
53	W	A	-0.5753
54	T	A	-0.4921
55	G	A	-0.3350
56	S	A	-0.1447
57	G	A	0.0689
58	Y	A	0.6259
59	A	A	-0.0980
60	Y	A	-0.8998
61	E	A	-1.9852
62	D	A	-2.7239
63	S	A	-1.8198
64	V	A	0.0000
65	K	A	-2.7606
66	G	A	-1.8159
67	R	A	-1.3997
68	F	A	0.0000
69	T	A	-0.8157
70	C	A	0.0000
71	S	A	-0.5290
72	R	A	-1.1888
73	D	A	-2.0940
74	D	A	-2.5363
75	A	A	-1.7516
76	R	A	-2.6186
77	N	A	-2.0732
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7883
81	L	A	0.0000
82	Q	A	-1.5047
83	L	A	0.0000
84	N	A	-1.4244
85	S	A	-1.2772
86	L	A	0.0000
87	K	A	-2.5970
88	P	A	-2.0627
89	E	A	-2.4180
90	D	A	0.0000
91	T	A	-0.9381
92	A	A	0.0000
93	V	A	-0.4576
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	P	A	0.0000
99	L	A	0.0000
100	A	A	-0.0850
101	C	A	0.1338
102	S	A	-0.4552
103	N	A	-0.3862
104	C	A	0.5463
105	F	A	1.6603
106	P	A	0.7850
107	Y	A	0.6973
108	K	A	-0.9539
109	H	A	-0.7424
110	Y	A	0.5561
111	V	A	1.8102
112	Y	A	0.9689
113	W	A	0.7813
114	G	A	-0.1445
115	Q	A	-1.0593
116	G	A	-0.6205
117	T	A	0.0000
118	Q	A	-1.0911
119	V	A	0.0000
120	T	A	-0.2237
121	V	A	0.0000
122	S	A	-0.7047
123	S	A	-0.6324