Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVEAFHMRWYRQAPGKEREWVAAITSKGQHTFYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDYGMWFMYYDYWGQGTQVTVS
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                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:55)

• Minimal score value: -3.6771
• Maximal score value: 2.5233
• Average score: -0.6667
• Total score value: -79.9984

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	-1.5221
2	V	A	-0.9702
3	Q	A	-0.9621
4	L	A	0.0000
5	V	A	0.9313
6	E	A	0.0000
7	S	A	-0.6423
8	G	A	-1.0775
9	G	A	-0.8375
10	G	A	-0.0475
11	L	A	1.0040
12	V	A	-0.0258
13	Q	A	-1.2500
14	A	A	-1.4454
15	G	A	-1.3549
16	G	A	-0.8861
17	S	A	-1.2211
18	L	A	-0.9203
19	R	A	-2.1736
20	L	A	0.0000
21	S	A	-0.5381
22	C	A	0.0000
23	A	A	-0.2190
24	A	A	0.0000
25	S	A	-0.7803
26	G	A	-1.1191
27	F	A	0.0000
28	P	A	-0.8362
29	V	A	0.0000
30	E	A	-1.6922
31	A	A	-0.9099
32	F	A	0.0000
33	H	A	-0.8981
34	M	A	0.0000
35	R	A	-0.1421
36	W	A	0.0000
37	Y	A	-0.4849
38	R	A	-1.2906
39	Q	A	-2.2317
40	A	A	-2.1182
41	P	A	-1.4838
42	G	A	-2.0004
43	K	A	-3.4372
44	E	A	-3.6771
45	R	A	-2.9859
46	E	A	-1.8522
47	W	A	-0.5724
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	T	A	-1.3167
53	S	A	-1.6576
54	K	A	-2.6604
55	G	A	-2.2583
56	Q	A	-2.2259
57	H	A	-1.6780
58	T	A	-0.3216
59	F	A	0.4179
60	Y	A	-0.3610
61	A	A	-1.0895
62	D	A	-2.3230
63	S	A	-1.7885
64	V	A	0.0000
65	K	A	-2.5001
66	G	A	-1.7978
67	R	A	-1.5256
68	F	A	0.0000
69	T	A	-0.7517
70	I	A	0.0000
71	S	A	-0.7860
72	R	A	-1.9127
73	D	A	-2.0574
74	N	A	-2.2692
75	A	A	-1.5883
76	K	A	-2.3610
77	N	A	-1.8735
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.2727
83	M	A	0.0000
84	N	A	-1.4466
85	S	A	-1.2468
86	L	A	0.0000
87	K	A	-2.4313
88	P	A	-1.9621
89	E	A	-2.3860
90	D	A	0.0000
91	T	A	-1.0061
92	A	A	0.0000
93	V	A	-0.7022
94	Y	A	0.0000
95	Y	A	-0.2502
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-0.5161
100	D	A	0.5680
101	Y	A	1.6166
102	G	A	1.3303
103	M	A	2.1119
104	W	A	2.2567
105	F	A	2.2339
106	M	A	2.5233
107	Y	A	2.3874
108	Y	A	1.4500
109	D	A	-0.4006
110	Y	A	-0.1300
111	W	A	0.0449
112	G	A	-0.1890
113	Q	A	-0.9347
114	G	A	0.0000
115	T	A	0.0000
116	Q	A	-1.1945
117	V	A	0.0000
118	T	A	-0.3277
119	V	A	0.0000
120	S	A	-0.7684