Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVYQKYMEWYRQAPGKEREWVAAIESNGWWTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDYGNNWQYYDYWGQGTQVTVS
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                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:27)

• Minimal score value: -3.374
• Maximal score value: 1.5765
• Average score: -0.6394
• Total score value: -76.733

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	-1.2964
2	V	A	-0.4761
3	Q	A	-0.7065
4	L	A	0.0000
5	V	A	1.1105
6	E	A	0.0000
7	S	A	-0.5776
8	G	A	-1.0428
9	G	A	-0.7907
10	G	A	-0.0139
11	L	A	1.0307
12	V	A	0.0250
13	Q	A	-1.2213
14	A	A	-1.4173
15	G	A	-1.3403
16	G	A	-0.8865
17	S	A	-1.2221
18	L	A	-0.9232
19	R	A	-2.1415
20	L	A	0.0000
21	S	A	-0.3750
22	C	A	0.0000
23	A	A	-0.0814
24	A	A	0.0000
25	S	A	-0.5355
26	G	A	-0.8188
27	F	A	-0.3866
28	P	A	-0.6215
29	V	A	0.0000
30	Y	A	-0.2865
31	Q	A	-1.1571
32	K	A	-0.7003
33	Y	A	-0.1918
34	M	A	0.0000
35	E	A	0.0076
36	W	A	0.0000
37	Y	A	-0.2838
38	R	A	-1.0701
39	Q	A	-1.9445
40	A	A	-1.9710
41	P	A	-1.4036
42	G	A	-1.9382
43	K	A	-3.2891
44	E	A	-3.3740
45	R	A	-2.3629
46	E	A	-1.5571
47	W	A	-0.4127
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.4611
51	I	A	0.0000
52	E	A	-0.0612
53	S	A	-0.5237
54	N	A	-0.8055
55	G	A	-0.1562
56	W	A	1.1700
57	W	A	1.5765
58	T	A	1.1602
59	Y	A	0.6783
60	Y	A	-0.4751
61	A	A	-1.1298
62	D	A	-2.3231
63	S	A	-1.7673
64	V	A	0.0000
65	K	A	-2.5157
66	G	A	-1.8005
67	R	A	-1.5164
68	F	A	0.0000
69	T	A	-0.7667
70	I	A	0.0000
71	S	A	-0.4819
72	R	A	-1.2074
73	D	A	-1.7764
74	N	A	-2.0844
75	A	A	-1.5631
76	K	A	-2.4646
77	N	A	-1.5854
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6999
81	L	A	0.0000
82	Q	A	-1.2423
83	M	A	0.0000
84	N	A	-1.4625
85	S	A	-1.2399
86	L	A	0.0000
87	K	A	-2.3122
88	P	A	-1.9081
89	E	A	-2.3379
90	D	A	0.0000
91	T	A	-0.9471
92	A	A	0.0000
93	V	A	-0.4508
94	Y	A	0.0000
95	Y	A	-0.0896
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-0.6625
100	D	A	-0.2892
101	Y	A	0.2802
102	G	A	-0.4242
103	N	A	-1.5524
104	N	A	-1.3824
105	W	A	0.3119
106	Q	A	-0.4071
107	Y	A	0.8260
108	Y	A	0.6321
109	D	A	-1.0198
110	Y	A	-0.1973
111	W	A	0.0511
112	G	A	0.0801
113	Q	A	-0.8993
114	G	A	0.0000
115	T	A	-0.6593
116	Q	A	-1.1220
117	V	A	0.0000
118	T	A	-0.2657
119	V	A	0.0000
120	S	A	-0.7407