Project name: query_structure

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

• Minimal score value: -2.9833
• Maximal score value: 1.8605
• Average score: -0.468
• Total score value: -59.4401

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	-1.4410
2	V	A	-0.4738
3	Q	A	-0.9913
4	L	A	0.0000
5	V	A	1.1288
6	E	A	0.0294
7	S	A	-0.6761
8	G	A	-1.1487
9	G	A	-0.8597
10	G	A	-0.0543
11	L	A	1.0056
12	V	A	-0.0940
13	Q	A	-1.4509
14	P	A	-1.8607
15	G	A	-1.6002
16	G	A	-1.0905
17	S	A	-1.3437
18	L	A	-0.9582
19	R	A	-2.1912
20	L	A	0.0000
21	S	A	-0.4556
22	S	A	0.0000
23	A	A	0.0682
24	A	A	0.1851
25	S	A	-0.2215
26	G	A	-0.4658
27	Y	A	0.4961
28	F	A	1.0669
29	Y	A	0.0000
30	S	A	0.1775
31	S	A	-0.1989
32	N	A	-0.5824
33	Y	A	-0.0364
34	S	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	0.0000
40	Q	A	-1.0233
41	A	A	-1.4236
42	P	A	-1.3500
43	G	A	-1.5118
44	K	A	-2.2261
45	G	A	-1.2595
46	L	A	-0.1987
47	E	A	-0.4727
48	G	A	-0.1583
49	V	A	0.0000
50	A	A	0.0000
51	Q	A	0.0000
52	I	A	0.6256
53	N	A	0.0000
54	I	A	0.5146
55	A	A	0.1951
56	P	A	-0.1151
57	G	A	-0.4791
58	R	A	-0.6607
59	I	A	1.0348
60	Y	A	0.6630
61	Y	A	-0.1502
62	A	A	0.0000
63	D	A	-2.3913
64	S	A	-1.7602
65	V	A	0.0000
66	K	A	-2.5375
67	G	A	-1.7612
68	R	A	-1.5397
69	F	A	0.0000
70	T	A	-0.6225
71	I	A	0.0000
72	S	A	-0.2734
73	R	A	-0.8999
74	D	A	-1.7108
75	N	A	-1.3577
76	S	A	-1.3806
77	K	A	-2.1016
78	N	A	-1.1120
79	T	A	0.0000
80	L	A	0.0000
81	Y	A	0.0000
82	L	A	0.0000
83	Q	A	-1.3169
84	M	A	0.0000
85	N	A	-1.5613
86	S	A	-1.4753
87	L	A	0.0000
88	R	A	-2.9833
89	A	A	-2.0637
90	E	A	-2.4937
91	D	A	0.0000
92	T	A	-1.0156
93	A	A	0.0000
94	V	A	-0.4583
95	Y	A	0.0000
96	Y	A	0.0293
97	S	A	0.0000
98	A	A	0.0000
99	S	A	0.0000
100	T	A	0.0000
101	A	A	-1.0533
102	G	A	-1.1331
103	N	A	-0.9442
104	M	A	0.5850
105	Y	A	1.7872
106	Y	A	1.8605
107	G	A	1.4747
108	L	A	1.7461
109	R	A	0.5662
110	G	A	-0.2243
111	P	A	-0.4569
112	A	A	-0.8497
113	D	A	-1.2548
114	F	A	0.0000
115	D	A	-1.8121
116	Y	A	-0.6746
117	W	A	-0.0863
118	G	A	-0.0590
119	Q	A	-0.8699
120	G	A	-0.5492
121	T	A	0.0000
122	Q	A	-1.0943
123	V	A	0.0000
124	T	A	-0.3710
125	V	A	0.0000
126	S	A	-0.7303
127	S	A	-0.4763