Project name: query_structure

Chain sequence(s)	A: VQLVESGGGSVQAGGSLRLSCTASGFTFDDFDMGWYHQAPGNECELVSTISNAGHTYYADSVKGRFAISRDNAKNMVYLQMNNLKPEDTAMYYCAAVGALLGFPLVLARPRGGYNYWGQGTMVTVSS
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -3.0966
• Maximal score value: 2.5849
• Average score: -0.6727
• Total score value: -85.4369

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	V	A	0.9313
2	Q	A	-0.3269
3	L	A	0.0000
4	V	A	0.1598
5	E	A	0.0000
6	S	A	-0.5492
7	G	A	-0.9812
8	G	A	-0.6326
9	G	A	-0.4863
10	S	A	-0.4903
11	V	A	-0.8215
12	Q	A	-1.7687
13	A	A	-1.8863
14	G	A	-1.7968
15	G	A	-1.3733
16	S	A	-1.4644
17	L	A	-1.2569
18	R	A	-2.1254
19	L	A	0.0000
20	S	A	-0.5097
21	C	A	0.0000
22	T	A	-0.4493
23	A	A	0.0000
24	S	A	-0.1827
25	G	A	0.0640
26	F	A	-0.1886
27	T	A	-1.0235
28	F	A	0.0000
29	D	A	-2.9190
30	D	A	-2.3761
31	F	A	-1.0473
32	D	A	0.0000
33	M	A	0.0000
34	G	A	0.0000
35	W	A	0.0000
36	Y	A	0.0000
37	H	A	-1.0177
38	Q	A	-1.6328
39	A	A	-1.6618
40	P	A	-1.1912
41	G	A	-1.6545
42	N	A	-2.7885
43	E	A	-3.0897
44	C	A	-2.3662
45	E	A	-2.5974
46	L	A	-1.1246
47	V	A	0.0000
48	S	A	0.0000
49	T	A	0.0000
50	I	A	0.0000
51	S	A	0.0000
52	N	A	-1.8001
53	A	A	-1.0776
54	G	A	-0.9957
55	H	A	-1.1086
56	T	A	-0.2054
57	Y	A	0.4268
58	Y	A	-0.3881
59	A	A	-1.2785
60	D	A	-2.3422
61	S	A	-1.8018
62	V	A	0.0000
63	K	A	-2.4833
64	G	A	-1.8724
65	R	A	-1.7233
66	F	A	0.0000
67	A	A	-0.6843
68	I	A	0.0000
69	S	A	-0.5836
70	R	A	-1.2382
71	D	A	-1.6876
72	N	A	-2.1801
73	A	A	-1.6276
74	K	A	-2.2997
75	N	A	-2.0514
76	M	A	-0.9951
77	V	A	0.0000
78	Y	A	-0.5792
79	L	A	0.0000
80	Q	A	-1.2180
81	M	A	0.0000
82	N	A	-1.8349
83	N	A	-2.2561
84	L	A	0.0000
85	K	A	-2.5869
86	P	A	-1.8799
87	E	A	-2.3171
88	D	A	0.0000
89	T	A	-0.8949
90	A	A	0.0000
91	M	A	0.0826
92	Y	A	0.0000
93	Y	A	-0.1128
94	C	A	0.0000
95	A	A	0.0000
96	A	A	0.0000
97	V	A	0.0000
98	G	A	-0.1194
99	A	A	0.4866
100	L	A	2.0254
101	L	A	2.4670
102	G	A	1.4616
103	F	A	2.3650
104	P	A	1.8783
105	L	A	2.5849
106	V	A	2.1346
107	L	A	2.1032
108	A	A	-0.0087
109	R	A	-2.2332
110	P	A	-2.5146
111	R	A	-3.0966
112	G	A	-2.0006
113	G	A	-0.8727
114	Y	A	-0.9033
115	N	A	-1.1401
116	Y	A	-0.0591
117	W	A	-0.0097
118	G	A	-0.2473
119	Q	A	-1.0866
120	G	A	0.0000
121	T	A	-0.0383
122	M	A	0.3026
123	V	A	0.0000
124	T	A	-0.5945
125	V	A	0.0000
126	S	A	-1.2144
127	S	A	-0.8867