Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAAYSHTYTIFPWTLFYWGQGTQVTVSSLE
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: -3.4048
• Maximal score value: 2.8459
• Average score: -0.5219
• Total score value: -64.7188

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	-1.2908
2	V	A	-0.5378
3	Q	A	-1.6744
4	L	A	0.0000
5	Q	A	-1.7117
6	E	A	0.0000
7	S	A	-1.0782
8	G	A	-1.0299
9	G	A	-0.8323
10	G	A	-0.0699
11	L	A	1.0720
12	V	A	0.2463
13	Q	A	-0.9052
14	A	A	-1.1539
15	G	A	-1.0871
16	G	A	-0.8555
17	S	A	-1.2072
18	L	A	-0.9154
19	R	A	-2.1309
20	L	A	0.0000
21	S	A	-0.8523
22	C	A	0.0000
23	A	A	-1.1514
24	A	A	-0.7019
25	S	A	-0.7308
26	G	A	0.0124
27	Y	A	0.4016
28	I	A	0.0000
29	S	A	-1.3091
30	D	A	-1.7733
31	A	A	0.0000
32	Y	A	-0.3717
33	Y	A	0.3794
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.0971
38	R	A	0.0000
39	Q	A	-2.0281
40	A	A	-1.9404
41	P	A	-1.3510
42	G	A	-1.8063
43	K	A	-2.9590
44	E	A	-3.4048
45	R	A	-2.7801
46	E	A	-1.3144
47	F	A	0.1990
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.0000
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.5496
54	G	A	-1.1122
55	T	A	-0.9910
56	N	A	-1.2419
57	T	A	-0.0264
58	Y	A	0.8376
59	Y	A	0.0229
60	A	A	-0.8084
61	D	A	-2.1994
62	S	A	-1.7189
63	V	A	0.0000
64	K	A	-2.4250
65	G	A	-1.7729
66	R	A	-1.4913
67	F	A	0.0000
68	T	A	-0.6919
69	I	A	0.0000
70	S	A	-0.6569
71	R	A	-1.2757
72	D	A	-1.9355
73	N	A	-2.3389
74	A	A	-1.5235
75	K	A	-2.2850
76	N	A	-1.5559
77	T	A	-1.4350
78	V	A	0.0000
79	Y	A	-0.6428
80	L	A	0.0000
81	Q	A	-1.2219
82	M	A	0.0000
83	N	A	-1.4314
84	S	A	-1.2150
85	L	A	0.0000
86	K	A	-2.1575
87	P	A	-1.6622
88	E	A	-2.3290
89	D	A	0.0000
90	T	A	-0.9234
91	A	A	0.0000
92	V	A	-0.6906
93	Y	A	0.0000
94	Y	A	-0.4517
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	Y	A	1.2178
99	S	A	0.4725
100	H	A	-0.1139
101	T	A	0.7731
102	Y	A	1.6318
103	T	A	1.7059
104	I	A	2.7684
105	F	A	2.1674
106	P	A	1.2903
107	W	A	1.9436
108	T	A	1.3917
109	L	A	2.0199
110	F	A	2.8459
111	Y	A	1.3153
112	W	A	0.6154
113	G	A	-0.6614
114	Q	A	-1.5635
115	G	A	-1.0086
116	T	A	0.0000
117	Q	A	-1.1904
118	V	A	0.0000
119	T	A	-0.2683
120	V	A	0.0000
121	S	A	-0.5429
122	S	A	-0.7377
123	L	A	0.1143
124	E	A	-1.2639