Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVREMNMYWYRQAPGKEREWVAAIASNGQYTHYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDYGSFFWGYDYWGQGTQVTVS
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: -3.7585
• Maximal score value: 2.1822
• Average score: -0.8017
• Total score value: -96.2064

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	-1.3504
2	V	A	-0.5987
3	Q	A	-1.1212
4	L	A	0.0000
5	V	A	0.3071
6	E	A	0.0000
7	S	A	-0.7494
8	G	A	-1.0497
9	G	A	-0.8243
10	G	A	-0.0356
11	L	A	1.0197
12	V	A	-0.0122
13	Q	A	-1.2664
14	A	A	-1.4995
15	G	A	-1.3993
16	G	A	-0.9236
17	S	A	-1.2416
18	L	A	-0.9223
19	R	A	-2.1454
20	L	A	0.0000
21	S	A	-0.4988
22	C	A	0.0000
23	A	A	-0.3790
24	A	A	0.0000
25	S	A	-0.7599
26	G	A	-0.9284
27	F	A	0.0000
28	P	A	-1.6487
29	V	A	0.0000
30	R	A	-3.4032
31	E	A	-2.3015
32	M	A	0.0000
33	N	A	-1.1807
34	M	A	0.0000
35	Y	A	-0.0571
36	W	A	0.0000
37	Y	A	-0.4422
38	R	A	-1.3672
39	Q	A	-2.2638
40	A	A	-2.1371
41	P	A	-1.4778
42	G	A	-1.9995
43	K	A	-3.4718
44	E	A	-3.7585
45	R	A	-3.1472
46	E	A	-2.1248
47	W	A	-0.6844
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	A	A	-1.0856
53	S	A	-2.1566
54	N	A	-2.3947
55	G	A	-1.8057
56	Q	A	-1.0540
57	Y	A	0.1435
58	T	A	-0.1932
59	H	A	-1.0404
60	Y	A	-1.3372
61	A	A	-1.5704
62	D	A	-2.5422
63	S	A	-1.7436
64	V	A	0.0000
65	K	A	-2.7717
66	G	A	-1.7965
67	R	A	-1.5353
68	F	A	0.0000
69	T	A	-0.9904
70	I	A	0.0000
71	S	A	-0.6929
72	R	A	-1.6373
73	D	A	-2.2547
74	N	A	-3.1411
75	A	A	-1.9534
76	K	A	-2.4552
77	N	A	-2.1645
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6804
81	L	A	0.0000
82	Q	A	-1.2511
83	M	A	0.0000
84	N	A	-1.4746
85	S	A	-1.2912
86	L	A	0.0000
87	K	A	-2.5401
88	P	A	-2.0058
89	E	A	-2.4114
90	D	A	0.0000
91	T	A	-1.0110
92	A	A	0.0000
93	V	A	-0.6704
94	Y	A	0.0000
95	Y	A	-0.2784
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.2286
100	D	A	-0.1676
101	Y	A	1.1128
102	G	A	0.5717
103	S	A	1.0316
104	F	A	2.1822
105	F	A	1.9510
106	W	A	1.9043
107	G	A	0.6894
108	Y	A	0.7707
109	D	A	-1.1196
110	Y	A	-0.4757
111	W	A	-0.1020
112	G	A	-0.2997
113	Q	A	-1.1004
114	G	A	0.0000
115	T	A	0.0000
116	Q	A	-1.1816
117	V	A	0.0000
118	T	A	-0.3320
119	V	A	0.0000
120	S	A	-0.7810