Project name: query_structure

Chain sequence(s)	A: HVQLVESGGGSVQAGGSLRLTCAASGFTFSNYYMSWVRQAPGKGLEWVSSIYSVGSNGYYADSVKGRSTISRDNAKNTLYLQMNSLKPEDTAVYYCAAEPGGSWWDAYSYWGQGTQVTVSS
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -2.4377
• Maximal score value: 1.2336
• Average score: -0.5202
• Total score value: -62.9456

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	H	A	-1.0514
2	V	A	-0.3224
3	Q	A	-0.9647
4	L	A	0.0000
5	V	A	0.2148
6	E	A	0.0000
7	S	A	-0.6367
8	G	A	-1.1849
9	G	A	-1.1740
10	G	A	-0.9424
11	S	A	-0.7374
12	V	A	-0.7969
13	Q	A	-1.6279
14	A	A	-1.6470
15	G	A	-1.3273
16	G	A	-1.0353
17	S	A	-1.1471
18	L	A	-1.0383
19	R	A	-1.9866
20	L	A	0.0000
21	T	A	-0.4465
22	C	A	0.0000
23	A	A	-0.4503
24	A	A	0.0000
25	S	A	-0.9141
26	G	A	-0.7392
27	F	A	-0.4238
28	T	A	-0.5289
29	F	A	0.0000
30	S	A	-0.5864
31	N	A	-1.2905
32	Y	A	-0.3866
33	Y	A	0.2597
34	M	A	0.0000
35	S	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-0.5902
40	A	A	-1.3073
41	P	A	-1.3471
42	G	A	-1.5873
43	K	A	-2.0741
44	G	A	-0.7966
45	L	A	0.8563
46	E	A	0.3994
47	W	A	1.2336
48	V	A	0.0000
49	S	A	0.0000
50	S	A	0.6809
51	I	A	0.0000
52	Y	A	0.6113
53	S	A	0.4287
54	V	A	1.2115
55	G	A	0.0519
56	S	A	-0.2214
57	N	A	-0.8734
58	G	A	0.1264
59	Y	A	0.8589
60	Y	A	-0.1669
61	A	A	0.0000
62	D	A	-2.1457
63	S	A	-1.6827
64	V	A	0.0000
65	K	A	-2.4377
66	G	A	-1.8015
67	R	A	-1.4427
68	S	A	0.0000
69	T	A	-0.7072
70	I	A	0.0000
71	S	A	-0.0693
72	R	A	0.0000
73	D	A	-0.9471
74	N	A	-1.2296
75	A	A	-1.2938
76	K	A	-2.2419
77	N	A	-1.7442
78	T	A	-1.0009
79	L	A	0.0000
80	Y	A	-0.4385
81	L	A	0.0000
82	Q	A	-1.1737
83	M	A	0.0000
84	N	A	-1.4325
85	S	A	-1.2158
86	L	A	0.0000
87	K	A	-2.2275
88	P	A	-1.8393
89	E	A	-2.3032
90	D	A	0.0000
91	T	A	-1.1596
92	A	A	0.0000
93	V	A	-0.3733
94	Y	A	0.0000
95	Y	A	0.1851
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	E	A	-0.4732
100	P	A	-0.5741
101	G	A	-0.4816
102	G	A	-0.2985
103	S	A	0.1125
104	W	A	1.1950
105	W	A	0.8529
106	D	A	-1.0107
107	A	A	-0.4042
108	Y	A	0.0155
109	S	A	-0.1289
110	Y	A	0.4449
111	W	A	0.4446
112	G	A	-0.1602
113	Q	A	-1.1161
114	G	A	-0.6433
115	T	A	0.0000
116	Q	A	-1.4726
117	V	A	0.0000
118	T	A	-1.0031
119	V	A	0.0000
120	S	A	-1.2161
121	S	A	-0.8883