Project name: query_structure

Chain sequence(s)	A: DVQLQASGGGLVQAGGSLRLSCAASSGTFSSYTMGWFRQAPGKERELVARLSQSLTTLYADSVKGRFTISRDNAENTVYLQMNSLKPEDTGVYYCAAHPGTYGSAWLISPHDYAYWGQGTQVTVS
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                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -3.7465
• Maximal score value: 2.0114
• Average score: -0.749
• Total score value: -93.6261

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	-1.9130
2	V	A	-1.0440
3	Q	A	-1.6819
4	L	A	0.0000
5	Q	A	-1.7088
6	A	A	-1.1906
7	S	A	-1.1973
8	G	A	-1.1267
9	G	A	-0.7853
10	G	A	0.0322
11	L	A	1.1121
12	V	A	0.0650
13	Q	A	-1.2233
14	A	A	-1.4978
15	G	A	-1.3941
16	G	A	-0.9221
17	S	A	-1.2333
18	L	A	-0.9992
19	R	A	-2.0903
20	L	A	0.0000
21	S	A	-0.8481
22	C	A	0.0000
23	A	A	-1.1254
24	A	A	-1.1684
25	S	A	-1.1301
26	S	A	-0.8712
27	G	A	-1.0085
28	T	A	-0.5369
29	F	A	0.0000
30	S	A	-1.1800
31	S	A	-0.8546
32	Y	A	-0.5090
33	T	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.7793
39	Q	A	-2.4389
40	A	A	-2.2380
41	P	A	-1.6135
42	G	A	-1.9415
43	K	A	-3.4670
44	E	A	-3.7465
45	R	A	-3.1591
46	E	A	-2.9657
47	L	A	-1.0406
48	V	A	0.0000
49	A	A	0.0000
50	R	A	0.0000
51	L	A	0.0000
52	S	A	0.0000
53	Q	A	-0.9085
54	S	A	-0.0522
55	L	A	1.0078
56	T	A	0.6536
57	T	A	0.4629
58	L	A	0.4382
59	Y	A	-0.5678
60	A	A	-1.4196
61	D	A	-2.4054
62	S	A	-1.8455
63	V	A	0.0000
64	K	A	-2.5508
65	G	A	-1.7699
66	R	A	-1.5176
67	F	A	0.0000
68	T	A	-0.7770
69	I	A	0.0000
70	S	A	-0.3084
71	R	A	-1.1567
72	D	A	-2.0256
73	N	A	-2.4566
74	A	A	-1.8343
75	E	A	-2.6118
76	N	A	-2.0164
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.6333
80	L	A	0.0000
81	Q	A	-1.2095
82	M	A	0.0000
83	N	A	-1.4411
84	S	A	-1.2802
85	L	A	0.0000
86	K	A	-2.5771
87	P	A	-2.0348
88	E	A	-2.4736
89	D	A	0.0000
90	T	A	-1.0519
91	G	A	0.0000
92	V	A	-0.7412
93	Y	A	0.0000
94	Y	A	-0.7588
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	H	A	-0.3945
99	P	A	-0.3258
100	G	A	-0.3573
101	T	A	0.3033
102	Y	A	0.9553
103	G	A	0.4387
104	S	A	0.8891
105	A	A	1.0676
106	W	A	1.9284
107	L	A	2.0114
108	I	A	0.7907
109	S	A	-0.0893
110	P	A	-1.0757
111	H	A	-1.4907
112	D	A	-1.2013
113	Y	A	0.0000
114	A	A	-0.1099
115	Y	A	0.1242
116	W	A	0.0156
117	G	A	-0.9031
118	Q	A	-1.5070
119	G	A	-1.0806
120	T	A	-1.1441
121	Q	A	-1.0950
122	V	A	0.0000
123	T	A	-0.3056
124	V	A	0.0000
125	S	A	-0.7867