Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVMNRWMAWYRQAPGKEREWVAAVASYGETTRYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDWGWWTRAYDYWGQGTQVTVS
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                                          (00:01:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)

• Minimal score value: -4.0508
• Maximal score value: 1.4622
• Average score: -0.8055
• Total score value: -96.6543

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	-1.4327
2	V	A	-0.7977
3	Q	A	-0.8183
4	L	A	0.0000
5	V	A	1.2415
6	E	A	0.0000
7	S	A	-0.5349
8	G	A	-1.0301
9	G	A	-0.8346
10	G	A	-0.0652
11	L	A	1.0190
12	V	A	0.0133
13	Q	A	-1.2272
14	A	A	-1.4019
15	G	A	-1.3231
16	G	A	-0.8691
17	S	A	-1.1847
18	L	A	-0.8949
19	R	A	-2.1209
20	L	A	0.0000
21	S	A	-0.3420
22	C	A	0.0000
23	A	A	-0.0122
24	A	A	0.0000
25	S	A	-0.6780
26	G	A	-1.0499
27	F	A	0.0000
28	P	A	-0.9220
29	V	A	0.0000
30	M	A	-0.2331
31	N	A	-1.0073
32	R	A	-0.7062
33	W	A	-0.2002
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	Y	A	-0.9461
38	R	A	-1.8709
39	Q	A	-2.7104
40	A	A	-2.3574
41	P	A	-1.5236
42	G	A	-2.0238
43	K	A	-3.6435
44	E	A	-4.0508
45	R	A	-3.6940
46	E	A	-3.1104
47	W	A	-1.2688
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	V	A	0.0000
52	A	A	0.0000
53	S	A	-0.3062
54	Y	A	0.2547
55	G	A	-0.7821
56	E	A	-1.5535
57	T	A	-1.1914
58	T	A	-1.3585
59	R	A	-2.1771
60	Y	A	-1.7352
61	A	A	-1.8905
62	D	A	-2.6568
63	S	A	-1.8017
64	V	A	0.0000
65	K	A	-2.8827
66	G	A	-1.7932
67	R	A	-1.4929
68	F	A	0.0000
69	T	A	-1.0780
70	I	A	0.0000
71	S	A	-0.6731
72	R	A	-0.7228
73	D	A	-1.3383
74	N	A	-1.3566
75	A	A	-1.2944
76	K	A	-2.2134
77	N	A	-1.4827
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6416
81	L	A	0.0000
82	Q	A	-1.2185
83	M	A	0.0000
84	N	A	-1.3721
85	S	A	-1.2000
86	L	A	0.0000
87	K	A	-2.2860
88	P	A	-1.8968
89	E	A	-2.3411
90	D	A	0.0000
91	T	A	-1.0024
92	A	A	0.0000
93	V	A	-0.7940
94	Y	A	0.0000
95	Y	A	-0.4038
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-0.7357
100	D	A	-0.6590
101	W	A	0.6833
102	G	A	0.3800
103	W	A	1.4622
104	W	A	1.2858
105	T	A	-0.0172
106	R	A	-1.4882
107	A	A	-0.7975
108	Y	A	-0.9418
109	D	A	-1.7535
110	Y	A	-0.6817
111	W	A	-0.1280
112	G	A	-0.2157
113	Q	A	-0.9324
114	G	A	-0.5399
115	T	A	0.0000
116	Q	A	-1.2360
117	V	A	0.0000
118	T	A	-0.3048
119	V	A	0.0000
120	S	A	-0.7394