Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSCAASGSISSITYLGWFRQAPGKEREGVAALNTSSGQTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAATYGVSWPLVWWLYGYWGQGTQVTV
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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.834
• Maximal score value: 1.8893
• Average score: -0.6405
• Total score value: -78.7757

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	-1.2322
2	V	A	-0.4670
3	Q	A	-0.6716
4	L	A	0.0000
5	V	A	1.0847
6	E	A	0.0086
7	S	A	-0.5349
8	G	A	-1.2384
9	G	A	-1.2080
10	G	A	-0.8716
11	S	A	-0.5618
12	V	A	-0.5293
13	Q	A	-1.3098
14	A	A	-1.4070
15	G	A	-1.2881
16	G	A	-1.0256
17	S	A	-1.3441
18	L	A	-1.3399
19	R	A	-2.2748
20	L	A	0.0000
21	S	A	-0.4115
22	C	A	0.0000
23	A	A	-0.1308
24	A	A	0.0000
25	S	A	-0.5624
26	G	A	-0.9632
27	S	A	-0.9676
28	I	A	0.0000
29	S	A	-0.7417
30	S	A	-0.2731
31	I	A	0.0000
32	T	A	0.0073
33	Y	A	0.0000
34	L	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.4922
39	Q	A	-2.3289
40	A	A	-2.1273
41	P	A	-1.4956
42	G	A	-2.0354
43	K	A	-3.4827
44	E	A	-3.8340
45	R	A	-3.3093
46	E	A	-2.0086
47	G	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	L	A	0.0000
52	N	A	-0.8622
53	T	A	-0.8785
54	S	A	-0.8088
55	S	A	-0.9967
56	G	A	-1.2417
57	Q	A	-1.5717
58	T	A	-0.6389
59	Y	A	-0.4498
60	Y	A	-0.7968
61	A	A	0.0000
62	D	A	-2.4146
63	S	A	-1.7686
64	V	A	0.0000
65	K	A	-2.5917
66	G	A	-1.8532
67	R	A	-1.6944
68	F	A	0.0000
69	T	A	-0.9947
70	V	A	0.0000
71	S	A	-0.5122
72	L	A	-0.7494
73	D	A	-1.6911
74	N	A	-2.2052
75	A	A	-1.6792
76	K	A	-2.4156
77	N	A	-1.9315
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.5919
81	L	A	0.0000
82	Q	A	-1.5783
83	M	A	0.0000
84	N	A	-1.9287
85	S	A	-1.3758
86	L	A	0.0000
87	K	A	-2.2172
88	P	A	-1.7430
89	E	A	-2.2694
90	D	A	0.0000
91	T	A	-1.0426
92	A	A	0.0000
93	L	A	-0.6460
94	Y	A	0.0000
95	Y	A	-0.3637
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	T	A	0.5430
101	Y	A	1.1373
102	G	A	0.4194
103	V	A	0.8669
104	S	A	0.3717
105	W	A	0.5967
106	P	A	0.7710
107	L	A	1.6814
108	V	A	0.0000
109	W	A	1.3582
110	W	A	1.8893
111	L	A	1.7007
112	Y	A	0.0000
113	G	A	0.4695
114	Y	A	0.3449
115	W	A	0.3489
116	G	A	-0.0047
117	Q	A	-0.8719
118	G	A	-0.6087
119	T	A	0.0000
120	Q	A	-1.3090
121	V	A	0.0000
122	T	A	-0.7530
123	V	A	-0.8564