Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGYFYSSNYCLGWFRQAPGKEREGVAQINIAPGRIYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCASTAGNMYYGLRGPADFDYWGQGTQVTVSS
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                                          (00:02:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:44)

• Minimal score value: -3.3393
• Maximal score value: 2.2547
• Average score: -0.6002
• Total score value: -76.2202

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	Q	A	-0.9964
2	V	A	0.3281
3	Q	A	-0.4320
4	L	A	0.0000
5	V	A	0.7032
6	E	A	0.0000
7	S	A	-0.5617
8	G	A	-1.0200
9	G	A	-0.7646
10	G	A	-0.0331
11	L	A	1.0184
12	V	A	-0.0597
13	Q	A	-1.3953
14	P	A	-1.8093
15	G	A	-1.6015
16	G	A	-1.1092
17	S	A	-1.5148
18	L	A	-1.1060
19	R	A	-2.3144
20	L	A	0.0000
21	S	A	-0.4759
22	C	A	0.0000
23	A	A	-0.2832
24	A	A	-0.0007
25	S	A	-0.1254
26	G	A	0.1524
27	Y	A	1.0433
28	F	A	0.0000
29	Y	A	0.0000
30	S	A	-0.3440
31	S	A	-0.5156
32	N	A	-0.3375
33	Y	A	-0.0433
34	C	A	0.0000
35	L	A	0.0000
36	G	A	0.0000
37	W	A	0.0000
38	F	A	0.0000
39	R	A	-1.1428
40	Q	A	-1.7987
41	A	A	-1.8497
42	P	A	-1.3471
43	G	A	-1.9074
44	K	A	-3.2279
45	E	A	-3.3393
46	R	A	-2.3771
47	E	A	-1.7434
48	G	A	-0.7561
49	V	A	0.0000
50	A	A	0.0000
51	Q	A	0.0000
52	I	A	0.0000
53	N	A	0.2281
54	I	A	0.1614
55	A	A	-0.0652
56	P	A	-0.4415
57	G	A	-0.8080
58	R	A	-0.8481
59	I	A	0.8268
60	Y	A	0.4721
61	Y	A	-0.2550
62	A	A	0.0000
63	D	A	-2.3984
64	S	A	-1.8057
65	V	A	0.0000
66	K	A	-2.5598
67	G	A	-1.8379
68	R	A	-1.7775
69	F	A	0.0000
70	T	A	-0.8318
71	I	A	0.0000
72	S	A	-0.2841
73	R	A	-0.9241
74	D	A	-1.7092
75	N	A	-1.9513
76	S	A	-1.8270
77	K	A	-2.5233
78	N	A	-1.7740
79	T	A	-1.1632
80	L	A	0.0000
81	Y	A	-0.6306
82	L	A	0.0000
83	Q	A	-1.6447
84	M	A	0.0000
85	N	A	-2.0888
86	S	A	-1.6163
87	L	A	0.0000
88	R	A	-3.0018
89	A	A	-2.0479
90	E	A	-2.4636
91	D	A	0.0000
92	T	A	-0.9614
93	A	A	0.0000
94	V	A	-0.3308
95	Y	A	0.0000
96	Y	A	-0.2089
97	C	A	0.0000
98	A	A	0.0000
99	S	A	0.0000
100	T	A	0.0000
101	A	A	-0.7355
102	G	A	-0.6774
103	N	A	-0.5303
104	M	A	1.2412
105	Y	A	2.2547
106	Y	A	1.8896
107	G	A	1.3718
108	L	A	1.5523
109	R	A	0.3335
110	G	A	-0.5314
111	P	A	-0.9025
112	A	A	-0.9979
113	D	A	-1.5172
114	F	A	0.0000
115	D	A	-1.8941
116	Y	A	-0.5704
117	W	A	-0.1422
118	G	A	-0.0993
119	Q	A	-0.8796
120	G	A	0.0000
121	T	A	-0.7089
122	Q	A	-0.9501
123	V	A	0.0000
124	T	A	-0.3197
125	V	A	0.0000
126	S	A	-0.7532
127	S	A	-0.4744