Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVAHKTMYWYRQAPGKERDWVAAIRSTGKYTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCYVTVGQEYIGQGTQVTVS
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                                          (00:01:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:38)

• Minimal score value: -3.6406
• Maximal score value: 1.0772
• Average score: -0.867
• Total score value: -98.8415

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	-1.5340
2	V	A	-1.1277
3	Q	A	-0.9583
4	L	A	0.0000
5	V	A	0.5917
6	E	A	0.0000
7	S	A	-0.7304
8	G	A	-1.1894
9	G	A	-0.8142
10	G	A	-0.0933
11	L	A	0.9735
12	V	A	0.0000
13	Q	A	-1.3337
14	A	A	-1.4819
15	G	A	-1.3742
16	G	A	-0.9191
17	S	A	-1.2247
18	L	A	-0.9332
19	R	A	-2.1367
20	L	A	0.0000
21	S	A	-0.4817
22	C	A	0.0000
23	A	A	-0.3077
24	A	A	0.0000
25	S	A	-0.8515
26	G	A	-1.1080
27	F	A	0.0000
28	P	A	-1.2021
29	V	A	0.0000
30	A	A	-1.4440
31	H	A	-1.5788
32	K	A	-1.1328
33	T	A	-0.7001
34	M	A	0.0000
35	Y	A	0.6192
36	W	A	0.0000
37	Y	A	-0.0238
38	R	A	-1.3063
39	Q	A	-2.1749
40	A	A	-2.0591
41	P	A	-1.4103
42	G	A	-1.9299
43	K	A	-3.3003
44	E	A	-3.6406
45	R	A	-2.9647
46	D	A	-1.9688
47	W	A	-0.6013
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	R	A	-1.3924
53	S	A	-1.3970
54	T	A	-1.3303
55	G	A	-1.6246
56	K	A	-1.7424
57	Y	A	-0.4541
58	T	A	0.0419
59	Y	A	0.4976
60	Y	A	-0.4505
61	A	A	-1.1878
62	D	A	-2.3598
63	S	A	-1.8019
64	V	A	0.0000
65	K	A	-2.5328
66	G	A	-1.7916
67	R	A	-1.5066
68	F	A	0.0000
69	T	A	-0.7688
70	I	A	0.0000
71	S	A	-0.8505
72	R	A	-1.3387
73	D	A	-1.9751
74	N	A	-2.4800
75	A	A	-1.7410
76	K	A	-2.4776
77	N	A	-1.8665
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6819
81	L	A	0.0000
82	Q	A	-1.2604
83	M	A	0.0000
84	N	A	-1.3818
85	S	A	-1.2216
86	L	A	0.0000
87	K	A	-2.4527
88	P	A	-1.9774
89	E	A	-2.3856
90	D	A	0.0000
91	T	A	-0.9853
92	A	A	0.0000
93	V	A	-0.4972
94	Y	A	0.0000
95	Y	A	0.1248
96	C	A	0.0000
97	Y	A	0.4900
98	V	A	0.0000
99	T	A	-0.8882
100	V	A	-0.9336
101	G	A	-1.2415
102	Q	A	-2.1307
103	E	A	-1.9169
104	Y	A	-0.4229
105	I	A	1.0772
106	G	A	0.3784
107	Q	A	-0.7771
108	G	A	-0.3709
109	T	A	-0.7618
110	Q	A	-1.1155
111	V	A	0.0000
112	T	A	-0.3251
113	V	A	0.0000
114	S	A	-0.8002