Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSCAASGSISSITYLGWFRQAPGKEREGVAALTTHAGTTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAASWGTWAPLIWYWYGYWGQGTQVTVS
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                                          (00:02:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:22)

• Minimal score value: -3.8073
• Maximal score value: 2.5043
• Average score: -0.5642
• Total score value: -69.9666

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	-1.2577
2	V	A	-0.5485
3	Q	A	-1.0419
4	L	A	0.0000
5	V	A	0.6689
6	E	A	0.0000
7	S	A	-0.6732
8	G	A	-1.2142
9	G	A	-1.2055
10	G	A	-0.9485
11	S	A	-0.7510
12	V	A	-0.7920
13	Q	A	-1.5876
14	A	A	-1.6189
15	G	A	-1.3497
16	G	A	-1.0737
17	S	A	-1.2405
18	L	A	-1.1389
19	R	A	-2.1362
20	L	A	0.0000
21	S	A	-0.3653
22	C	A	0.0000
23	A	A	-0.2886
24	A	A	-0.4345
25	S	A	-0.6367
26	G	A	-0.7376
27	S	A	-0.8284
28	I	A	0.0000
29	S	A	-0.8548
30	S	A	-0.2367
31	I	A	0.0000
32	T	A	0.0000
33	Y	A	0.3997
34	L	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.5357
39	Q	A	-2.3351
40	A	A	-2.1324
41	P	A	-1.4974
42	G	A	-2.0248
43	K	A	-3.4710
44	E	A	-3.8073
45	R	A	-3.2324
46	E	A	-2.0592
47	G	A	-0.6839
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	L	A	0.0000
52	T	A	0.0000
53	T	A	-0.8176
54	H	A	-1.1535
55	A	A	-0.6476
56	G	A	-0.6758
57	T	A	-0.3573
58	T	A	0.0194
59	Y	A	0.1263
60	Y	A	-0.7143
61	A	A	-1.3303
62	D	A	-2.3922
63	S	A	-1.7730
64	V	A	0.0000
65	K	A	-2.5563
66	G	A	-1.7860
67	R	A	-1.5189
68	F	A	0.0000
69	T	A	-0.8120
70	V	A	0.0000
71	S	A	-0.2379
72	L	A	-0.5313
73	D	A	-1.5495
74	N	A	-2.1482
75	A	A	-1.6440
76	K	A	-2.3856
77	N	A	-1.8746
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.4573
81	L	A	0.0000
82	Q	A	-1.2265
83	M	A	0.0000
84	N	A	-1.4996
85	S	A	-1.2662
86	L	A	0.0000
87	K	A	-2.3547
88	P	A	-1.9143
89	E	A	-2.3481
90	D	A	0.0000
91	T	A	-1.2110
92	A	A	0.0000
93	L	A	-0.7472
94	Y	A	0.0000
95	Y	A	-0.4252
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	S	A	0.4487
101	W	A	1.0970
102	G	A	0.5199
103	T	A	0.0000
104	W	A	1.6626
105	A	A	1.3790
106	P	A	1.2687
107	L	A	2.4466
108	I	A	2.5043
109	W	A	1.8255
110	Y	A	2.4633
111	W	A	2.3295
112	Y	A	1.2581
113	G	A	0.4702
114	Y	A	0.2956
115	W	A	0.2570
116	G	A	-0.1612
117	Q	A	-0.9856
118	G	A	-0.6570
119	T	A	0.0000
120	Q	A	-1.3731
121	V	A	0.0000
122	T	A	-1.0094
123	V	A	0.0000
124	S	A	-1.1248