Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVASYWMEWYRQAPGKEREWVAAIWSYGGNTWYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVHVGAGYTGQGTQVTVS
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)

• Minimal score value: -3.9403
• Maximal score value: 1.0767
• Average score: -0.7266
• Total score value: -82.829

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	-1.2977
2	V	A	-0.4583
3	Q	A	-0.9953
4	L	A	0.0000
5	V	A	0.5358
6	E	A	0.0000
7	S	A	-0.6857
8	G	A	-1.0437
9	G	A	-0.8662
10	G	A	-0.1196
11	L	A	0.9228
12	V	A	0.0000
13	Q	A	-1.3355
14	A	A	-1.5563
15	G	A	-1.4728
16	G	A	-1.0391
17	S	A	-1.4576
18	L	A	-1.0963
19	R	A	-2.3040
20	L	A	0.0000
21	S	A	-0.5158
22	C	A	0.0000
23	A	A	-0.2962
24	A	A	0.0000
25	S	A	-0.7031
26	G	A	-0.8885
27	F	A	-0.3545
28	P	A	-0.7523
29	V	A	0.0000
30	A	A	-0.2200
31	S	A	0.3312
32	Y	A	0.6975
33	W	A	0.4714
34	M	A	0.0000
35	E	A	-0.0043
36	W	A	0.0000
37	Y	A	-0.3940
38	R	A	0.0000
39	Q	A	-2.3281
40	A	A	-2.1766
41	P	A	-1.5231
42	G	A	-2.0624
43	K	A	-3.5341
44	E	A	-3.9403
45	R	A	-3.5039
46	E	A	-2.1082
47	W	A	-0.7263
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	W	A	0.5073
53	S	A	0.0000
54	Y	A	1.0767
55	G	A	-0.1512
56	G	A	-0.4372
57	N	A	-0.7982
58	T	A	-0.2140
59	W	A	0.0490
60	Y	A	-0.5831
61	A	A	0.0000
62	D	A	-2.3416
63	S	A	-1.7725
64	V	A	0.0000
65	K	A	-2.5521
66	G	A	-1.8771
67	R	A	-1.7682
68	F	A	0.0000
69	T	A	-0.9715
70	I	A	0.0000
71	S	A	-0.7601
72	R	A	-1.2953
73	D	A	-1.9581
74	N	A	-2.3434
75	A	A	-1.7389
76	K	A	-2.4792
77	N	A	-1.9079
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7830
81	L	A	0.0000
82	Q	A	-1.6173
83	M	A	0.0000
84	N	A	-1.9951
85	S	A	-1.4567
86	L	A	0.0000
87	K	A	-2.5988
88	P	A	-2.0209
89	E	A	-2.4060
90	D	A	0.0000
91	T	A	-1.0245
92	A	A	0.0000
93	V	A	-0.7443
94	Y	A	0.0000
95	Y	A	-0.3888
96	C	A	0.0000
97	A	A	0.0000
98	V	A	0.0000
99	H	A	-0.4121
100	V	A	0.4238
101	G	A	-0.1891
102	A	A	-0.0360
103	G	A	-0.1021
104	Y	A	0.2774
105	T	A	-0.1251
106	G	A	-0.3211
107	Q	A	-1.1260
108	G	A	-0.6437
109	T	A	0.0000
110	Q	A	-1.2039
111	V	A	0.0000
112	T	A	-0.3945
113	V	A	0.0000
114	S	A	-0.8235