Project name: query_structure

Chain sequence(s)	A: DVQLVESGGGSVQAGGSLRLSCAVSGSTYSPCTTGWYRQAPGKEREWVCSISSPGTIYYQDSVKGRFTCSRDNAKNTVYLQMNSLQREDTGMYYCQIQCGVRSIREYWGQGTQVTVSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -3.3282
• Maximal score value: 1.264
• Average score: -0.8054
• Total score value: -95.0354

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	-2.1218
2	V	A	-1.4556
3	Q	A	-1.1923
4	L	A	0.0000
5	V	A	0.7707
6	E	A	0.0000
7	S	A	-0.5428
8	G	A	-1.2451
9	G	A	-1.2095
10	G	A	-0.9360
11	S	A	-0.7026
12	V	A	-0.8768
13	Q	A	-1.7604
14	A	A	-1.8837
15	G	A	-1.4245
16	G	A	-0.9647
17	S	A	-1.1504
18	L	A	-1.1344
19	R	A	-2.1403
20	L	A	0.0000
21	S	A	-0.4731
22	C	A	0.0000
23	A	A	-0.2443
24	V	A	-0.5938
25	S	A	-1.0585
26	G	A	-1.2538
27	S	A	-0.5362
28	T	A	-0.1062
29	Y	A	1.1124
30	S	A	0.4779
31	P	A	0.1132
32	C	A	-0.0744
33	T	A	-0.3602
34	T	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.1800
38	R	A	-1.0677
39	Q	A	-1.9633
40	A	A	-2.0092
41	P	A	-1.6245
42	G	A	-1.9453
43	K	A	-3.2443
44	E	A	-3.3097
45	R	A	-2.2930
46	E	A	-1.2928
47	W	A	-0.0498
48	V	A	0.0000
49	C	A	0.0000
50	S	A	0.5289
51	I	A	0.0000
52	S	A	0.0551
53	S	A	-0.3140
54	P	A	-0.3681
55	G	A	-0.2418
56	T	A	0.3786
57	I	A	1.2640
58	Y	A	0.9714
59	Y	A	-0.2767
60	Q	A	-1.2730
61	D	A	-2.4631
62	S	A	-1.9022
63	V	A	0.0000
64	K	A	-2.5759
65	G	A	-1.8132
66	R	A	-1.4590
67	F	A	0.0000
68	T	A	-0.6452
69	C	A	0.0000
70	S	A	-0.5670
71	R	A	-1.6266
72	D	A	-2.2125
73	N	A	-2.5161
74	A	A	-1.8742
75	K	A	-2.7049
76	N	A	-2.3614
77	T	A	-1.4149
78	V	A	0.0000
79	Y	A	-0.7344
80	L	A	0.0000
81	Q	A	-1.2154
82	M	A	0.0000
83	N	A	-1.3289
84	S	A	-1.0949
85	L	A	0.0000
86	Q	A	-2.6439
87	R	A	-3.3282
88	E	A	-3.0037
89	D	A	0.0000
90	T	A	-1.5939
91	G	A	0.0000
92	M	A	-0.6655
93	Y	A	0.0000
94	Y	A	-0.1707
95	C	A	0.0000
96	Q	A	0.0000
97	I	A	0.0000
98	Q	A	-0.8115
99	C	A	0.0000
100	G	A	0.3297
101	V	A	0.9756
102	R	A	-0.8607
103	S	A	-0.3377
104	I	A	0.5108
105	R	A	-1.7416
106	E	A	-1.8224
107	Y	A	-0.9852
108	W	A	-0.1459
109	G	A	-0.1455
110	Q	A	-0.9088
111	G	A	0.0000
112	T	A	-0.7991
113	Q	A	-1.3722
114	V	A	0.0000
115	T	A	-1.1949
116	V	A	0.0000
117	S	A	-1.4521
118	S	A	-1.1358