Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLTLSCAASGRTFSSSAMGWFRQAPGKEREFVAGISSSGGTTYYADPVEGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAAVLGTYYGFPSSPTGYNYWGQGTQVTVSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:07)

• Minimal score value: -3.2585
• Maximal score value: 1.821
• Average score: -0.5498
• Total score value: -69.2704

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	-1.8450
2	V	A	0.0000
3	Q	A	-1.2485
4	L	A	0.0000
5	V	A	1.1427
6	E	A	0.1040
7	S	A	-0.1910
8	G	A	-0.4677
9	G	A	-0.4700
10	G	A	0.1406
11	L	A	1.0684
12	V	A	0.0793
13	Q	A	-1.1703
14	A	A	-1.3439
15	G	A	-1.2818
16	G	A	-0.8786
17	S	A	-0.8017
18	L	A	-0.1332
19	T	A	-0.2389
20	L	A	0.0000
21	S	A	0.1445
22	C	A	0.0000
23	A	A	-0.1480
24	A	A	0.0000
25	S	A	-1.3801
26	G	A	-2.0900
27	R	A	-2.5106
28	T	A	-1.3901
29	F	A	0.0000
30	S	A	-1.3518
31	S	A	-0.7157
32	S	A	0.0000
33	A	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-1.7930
40	A	A	-1.8187
41	P	A	-1.3351
42	G	A	-1.9007
43	K	A	-3.1480
44	E	A	-3.2585
45	R	A	-2.2381
46	E	A	-1.4461
47	F	A	-0.4729
48	V	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	S	A	0.1339
53	S	A	-0.2804
54	S	A	-0.7608
55	G	A	-0.8296
56	G	A	-0.7167
57	T	A	-0.0091
58	T	A	0.4681
59	Y	A	0.9086
60	Y	A	-0.3431
61	A	A	-1.1466
62	D	A	-2.3828
63	P	A	-1.9246
64	V	A	0.0000
65	E	A	-2.5926
66	G	A	-1.8394
67	R	A	-1.4904
68	F	A	0.0000
69	T	A	-0.4432
70	I	A	0.0000
71	S	A	-0.4000
72	R	A	-1.0180
73	D	A	-1.5950
74	N	A	-1.9264
75	A	A	-1.5044
76	K	A	-2.4021
77	N	A	-2.1682
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.1159
81	L	A	0.0000
82	Q	A	-0.4179
83	M	A	0.0000
84	N	A	-1.0904
85	S	A	-1.1501
86	L	A	0.0000
87	K	A	-2.0285
88	P	A	-1.6870
89	E	A	-2.2032
90	D	A	0.0000
91	T	A	-0.8069
92	A	A	0.0000
93	V	A	-0.3874
94	Y	A	0.0000
95	Y	A	-0.1639
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	V	A	0.0000
100	L	A	0.3810
101	G	A	0.2373
102	T	A	0.8289
103	Y	A	1.8210
104	Y	A	1.8050
105	G	A	1.0912
106	F	A	0.7329
107	P	A	0.2963
108	S	A	-0.0860
109	S	A	-0.3821
110	P	A	-0.5153
111	T	A	-0.4687
112	G	A	-0.3053
113	Y	A	0.0000
114	N	A	-0.9883
115	Y	A	-0.3876
116	W	A	-0.0546
117	G	A	-0.1134
118	Q	A	-0.8499
119	G	A	-0.5419
120	T	A	-0.7060
121	Q	A	-1.0003
122	V	A	0.0000
123	T	A	-0.1870
124	V	A	0.0000
125	S	A	-0.6455
126	S	A	-0.7614