Project name: query_structure

Chain sequence(s)	A: DVQLQESGGGLVRPGGSLRLSCAASGFLFSGTYMTWARQAPGKGLEWLCGINKDGSGTLYADSVEGRFTCSRDNAKNTLYLQMNSLKSEDTALYYCSTGALLPTRPQGQGTQVTVSS
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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -2.7876
• Maximal score value: 2.2462
• Average score: -0.7608
• Total score value: -89.009

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	D	A	-1.4864
2	V	A	0.1011
3	Q	A	-1.4266
4	L	A	0.0000
5	Q	A	-1.8811
6	E	A	0.0000
7	S	A	-1.2151
8	G	A	-1.1853
9	G	A	-0.8419
10	G	A	-0.0599
11	L	A	0.8973
12	V	A	-0.3592
13	R	A	-1.9706
14	P	A	-1.9665
15	G	A	-1.7007
16	G	A	-1.2644
17	S	A	-1.6413
18	L	A	-1.1424
19	R	A	-2.3343
20	L	A	0.0000
21	S	A	-0.8576
22	C	A	0.0000
23	A	A	-1.1255
24	A	A	0.0000
25	S	A	-0.6200
26	G	A	-0.3945
27	F	A	0.6111
28	L	A	1.3131
29	F	A	0.0000
30	S	A	-1.1931
31	G	A	-0.7539
32	T	A	-0.4219
33	Y	A	-0.4758
34	M	A	0.0000
35	T	A	0.0000
36	W	A	0.0000
37	A	A	0.1540
38	R	A	0.0000
39	Q	A	-1.1446
40	A	A	-1.4955
41	P	A	-1.1629
42	G	A	-1.5488
43	K	A	-2.3186
44	G	A	-1.4628
45	L	A	-0.6381
46	E	A	-0.3843
47	W	A	0.3610
48	L	A	0.0000
49	C	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	N	A	-1.4017
53	K	A	-2.1030
54	D	A	-2.7876
55	G	A	-1.8396
56	S	A	-1.2257
57	G	A	-0.6291
58	T	A	0.3071
59	L	A	0.9038
60	Y	A	-0.1874
61	A	A	-1.0337
62	D	A	-2.2867
63	S	A	-1.5765
64	V	A	0.0000
65	E	A	-2.5576
66	G	A	-1.9600
67	R	A	-1.7577
68	F	A	0.0000
69	T	A	-0.9778
70	C	A	0.0000
71	S	A	-0.4521
72	R	A	-1.3578
73	D	A	-1.7063
74	N	A	-1.9728
75	A	A	-1.4145
76	K	A	-2.2860
77	N	A	-1.5055
78	T	A	-1.3041
79	L	A	0.0000
80	Y	A	-0.6180
81	L	A	0.0000
82	Q	A	-1.6969
83	M	A	0.0000
84	N	A	-2.2351
85	S	A	-1.6570
86	L	A	0.0000
87	K	A	-2.6436
88	S	A	-2.1163
89	E	A	-2.3838
90	D	A	0.0000
91	T	A	-0.9926
92	A	A	0.0000
93	L	A	-0.4877
94	Y	A	0.0000
95	Y	A	-0.7524
96	C	A	0.0000
97	S	A	-0.4137
98	T	A	-0.0122
99	G	A	0.3405
100	A	A	1.1462
101	L	A	2.2462
102	L	A	1.9215
103	P	A	0.3690
104	T	A	-0.4307
105	R	A	-1.8284
106	P	A	-1.4535
107	Q	A	-1.3665
108	G	A	-1.5374
109	Q	A	-1.7029
110	G	A	-1.2134
111	T	A	0.0000
112	Q	A	-1.2237
113	V	A	0.0000
114	T	A	-0.4442
115	V	A	0.0000
116	S	A	-0.9164
117	S	A	-0.7577