Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSSAASGRTFSNYNMGWLRQAPGNEREFVAAITSSGTSTYYADSVNGRFTISRDNAKNTVYLQMNSLNPEDTAVYYSAAGRYNNLRDVSGYLYRGQGTQVTVSS
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                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -3.6836
• Maximal score value: 1.3525
• Average score: -0.931
• Total score value: -114.5119

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	-1.7571
2	V	A	-1.4831
3	Q	A	-2.1412
4	L	A	0.0000
5	Q	A	-1.9532
6	E	A	0.0000
7	S	A	-1.1928
8	G	A	-1.0331
9	G	A	-0.8460
10	G	A	-0.0738
11	L	A	1.0245
12	V	A	0.0469
13	Q	A	-1.1925
14	A	A	-1.3734
15	G	A	-1.3225
16	G	A	-0.9134
17	S	A	-1.3842
18	L	A	-1.0844
19	R	A	-2.2986
20	L	A	0.0000
21	S	A	-0.8431
22	S	A	0.0000
23	A	A	-1.1454
24	A	A	0.0000
25	S	A	-1.5512
26	G	A	-1.9527
27	R	A	-2.4621
28	T	A	-1.7034
29	F	A	0.0000
30	S	A	-1.7732
31	N	A	-2.1271
32	Y	A	0.0000
33	N	A	-1.1050
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	L	A	0.0000
38	R	A	-1.4636
39	Q	A	-2.1609
40	A	A	-2.0248
41	P	A	-1.3386
42	G	A	-1.8194
43	N	A	-3.0465
44	E	A	-3.6836
45	R	A	-3.3868
46	E	A	-2.0381
47	F	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	T	A	-0.8131
53	S	A	-1.1647
54	S	A	-0.7669
55	G	A	-0.6587
56	T	A	-0.3310
57	S	A	-0.2031
58	T	A	-0.1218
59	Y	A	-0.3184
60	Y	A	-0.7909
61	A	A	0.0000
62	D	A	-2.2382
63	S	A	-1.6685
64	V	A	0.0000
65	N	A	-2.1536
66	G	A	-1.6791
67	R	A	-1.5369
68	F	A	0.0000
69	T	A	-0.9360
70	I	A	0.0000
71	S	A	-0.4677
72	R	A	-0.9961
73	D	A	-1.5066
74	N	A	-1.8885
75	A	A	-1.4234
76	K	A	-2.3011
77	N	A	-2.0454
78	T	A	-1.3135
79	V	A	0.0000
80	Y	A	-0.6068
81	L	A	0.0000
82	Q	A	-1.6247
83	M	A	0.0000
84	N	A	-1.9621
85	S	A	-1.3452
86	L	A	0.0000
87	N	A	-1.9721
88	P	A	-1.6713
89	E	A	-2.1612
90	D	A	0.0000
91	T	A	-0.8734
92	A	A	0.0000
93	V	A	-0.7738
94	Y	A	0.0000
95	Y	A	-0.9731
96	S	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	G	A	0.0000
100	R	A	-1.7603
101	Y	A	-0.8039
102	N	A	-1.7590
103	N	A	-1.7221
104	L	A	-1.3482
105	R	A	-2.0790
106	D	A	-1.4940
107	V	A	-0.2718
108	S	A	0.0233
109	G	A	0.0000
110	Y	A	0.0000
111	L	A	1.3525
112	Y	A	0.2000
113	R	A	-1.2345
114	G	A	-1.6995
115	Q	A	-1.8821
116	G	A	-1.2849
117	T	A	0.0000
118	Q	A	-1.0862
119	V	A	0.0000
120	T	A	-0.2722
121	V	A	0.0000
122	S	A	-0.7108
123	S	A	-0.7889