Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVVYYEMYWYRQAPGKEREWVAAITSSGWYTHYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDWGASWKQYDYWGQGTQVTVS
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                                          (00:01:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:41)

• Minimal score value: -3.862
• Maximal score value: 1.6662
• Average score: -0.6998
• Total score value: -83.9716

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	-1.4752
2	V	A	-0.8167
3	Q	A	-0.8931
4	L	A	0.0000
5	V	A	1.0026
6	E	A	0.0000
7	S	A	-0.6158
8	G	A	-1.0732
9	G	A	-0.8268
10	G	A	-0.0651
11	L	A	0.9316
12	V	A	0.0000
13	Q	A	-1.3482
14	A	A	-1.5196
15	G	A	-1.4125
16	G	A	-0.9595
17	S	A	-1.2824
18	L	A	-0.9624
19	R	A	-2.1794
20	L	A	0.0000
21	S	A	-0.4506
22	C	A	0.0000
23	A	A	-0.1263
24	A	A	0.0000
25	S	A	-0.7408
26	G	A	-1.0805
27	F	A	0.0000
28	P	A	-0.1588
29	V	A	0.0000
30	V	A	0.7720
31	Y	A	1.4187
32	Y	A	0.7329
33	E	A	0.2044
34	M	A	0.0000
35	Y	A	0.0359
36	W	A	0.0000
37	Y	A	0.0000
38	R	A	-1.6793
39	Q	A	-2.4678
40	A	A	-2.2145
41	P	A	-1.4426
42	G	A	-1.9778
43	K	A	-3.5457
44	E	A	-3.8620
45	R	A	-3.3003
46	E	A	-2.9379
47	W	A	-1.1667
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	T	A	0.5095
53	S	A	0.6609
54	S	A	0.6866
55	G	A	0.6318
56	W	A	1.6662
57	Y	A	1.5890
58	T	A	0.4818
59	H	A	-0.7776
60	Y	A	-1.2235
61	A	A	-1.6744
62	D	A	-2.5404
63	S	A	-1.8099
64	V	A	0.0000
65	K	A	-2.7486
66	G	A	-1.8057
67	R	A	-1.5440
68	F	A	0.0000
69	T	A	-0.9845
70	I	A	0.0000
71	S	A	-0.3060
72	R	A	-1.0853
73	D	A	-1.7521
74	N	A	-1.6837
75	A	A	-1.4953
76	K	A	-2.3687
77	N	A	-1.6220
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.2862
83	M	A	0.0000
84	N	A	-1.4769
85	S	A	-1.2825
86	L	A	0.0000
87	K	A	-2.5536
88	P	A	-2.0192
89	E	A	-2.4155
90	D	A	0.0000
91	T	A	-1.0109
92	A	A	0.0000
93	V	A	-0.5281
94	Y	A	0.0000
95	Y	A	-0.3117
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.2203
100	D	A	-0.6961
101	W	A	0.4187
102	G	A	-0.2892
103	A	A	-0.1271
104	S	A	-0.0861
105	W	A	0.0009
106	K	A	-1.9320
107	Q	A	-2.1553
108	Y	A	-1.3919
109	D	A	-2.1655
110	Y	A	-0.7685
111	W	A	-0.0838
112	G	A	-0.0539
113	Q	A	-0.8932
114	G	A	0.0000
115	T	A	-0.6738
116	Q	A	-1.1249
117	V	A	0.0000
118	T	A	-0.3473
119	V	A	0.0000
120	S	A	-0.8184