Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVYYSHMLWYRQAPGKEREWVAAIKSLGAKTWYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCTVGVGTNYYGQGTQVTVS
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                                          (00:01:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:20)

• Minimal score value: -3.6106
• Maximal score value: 1.7883
• Average score: -0.6715
• Total score value: -76.5499

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	-1.4351
2	V	A	-0.7500
3	Q	A	-0.8400
4	L	A	0.0000
5	V	A	1.0896
6	E	A	0.0000
7	S	A	-0.5825
8	G	A	-1.0333
9	G	A	-0.8592
10	G	A	-0.1144
11	L	A	0.9242
12	V	A	0.0000
13	Q	A	-1.3042
14	A	A	-1.4015
15	G	A	-1.3080
16	G	A	-0.8929
17	S	A	-1.2968
18	L	A	-1.0311
19	R	A	-2.2720
20	L	A	0.0000
21	S	A	-0.4271
22	C	A	0.0000
23	A	A	-0.0895
24	A	A	0.0000
25	S	A	-0.6771
26	G	A	-0.9817
27	F	A	-0.1035
28	P	A	-0.1523
29	V	A	0.0000
30	Y	A	0.9165
31	Y	A	1.7883
32	S	A	0.0000
33	H	A	-0.0143
34	M	A	0.0000
35	L	A	0.0041
36	W	A	0.0000
37	Y	A	-0.3034
38	R	A	0.0000
39	Q	A	-2.1348
40	A	A	-2.0886
41	P	A	-1.4654
42	G	A	-1.9877
43	K	A	-3.3955
44	E	A	-3.6106
45	R	A	-2.8595
46	E	A	-1.8416
47	W	A	-0.5590
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	K	A	-1.1564
53	S	A	0.3300
54	L	A	1.2291
55	G	A	-0.3770
56	A	A	-0.7395
57	K	A	-1.7990
58	T	A	-0.8868
59	W	A	-0.2774
60	Y	A	-0.5299
61	A	A	-1.1913
62	D	A	-2.3318
63	S	A	-1.7317
64	V	A	0.0000
65	K	A	-2.5200
66	G	A	-1.7536
67	R	A	-1.4735
68	F	A	0.0000
69	T	A	-0.8851
70	I	A	0.0000
71	S	A	-0.6160
72	R	A	-0.9422
73	D	A	-1.8862
74	N	A	-1.8279
75	A	A	-1.6624
76	K	A	-2.4754
77	N	A	-1.7382
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7597
81	L	A	0.0000
82	Q	A	-1.5770
83	M	A	0.0000
84	N	A	-1.4142
85	S	A	-1.1400
86	L	A	0.0000
87	K	A	-2.1748
88	P	A	-1.8909
89	E	A	-2.2976
90	D	A	0.0000
91	T	A	-0.9813
92	A	A	0.0000
93	V	A	-0.6795
94	Y	A	0.0000
95	Y	A	-0.0527
96	C	A	0.0000
97	T	A	0.0000
98	V	A	0.0000
99	G	A	-0.0411
100	V	A	1.2756
101	G	A	0.0340
102	T	A	-0.2154
103	N	A	-0.6922
104	Y	A	0.1121
105	Y	A	0.1399
106	G	A	-0.0921
107	Q	A	-0.9115
108	G	A	-0.5022
109	T	A	0.0000
110	Q	A	-1.2160
111	V	A	0.0000
112	T	A	-0.3593
113	V	A	0.0000
114	S	A	-0.7819