Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGRSVRTWSMGWFRQPPGKERELVAGISWSGSGTYHADSVKGRFTISRDNAKNMVYLQMNSLKPEDTAVYYCAAGQTGWNPGSDFHRWGKGTQVTVSS
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -3.4998
• Maximal score value: 1.0594
• Average score: -0.9697
• Total score value: -118.3091

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	-2.0824
2	V	A	-1.9365
3	Q	A	-2.3056
4	L	A	0.0000
5	Q	A	-1.2072
6	E	A	0.0000
7	S	A	-1.0876
8	G	A	-1.0052
9	G	A	-0.7803
10	G	A	-0.0578
11	L	A	1.0594
12	V	A	0.0380
13	Q	A	-1.2274
14	A	A	-1.5063
15	G	A	-1.4541
16	G	A	-1.0345
17	S	A	-1.5037
18	L	A	-1.1170
19	R	A	-2.3243
20	L	A	0.0000
21	S	A	-0.7318
22	C	A	0.0000
23	A	A	-0.7832
24	A	A	0.0000
25	S	A	-1.4849
26	G	A	-1.9975
27	R	A	-2.7342
28	S	A	-2.0586
29	V	A	0.0000
30	R	A	-2.0811
31	T	A	-1.1456
32	W	A	-0.8551
33	S	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	-0.2952
38	R	A	0.0000
39	Q	A	-1.9138
40	P	A	0.0000
41	P	A	-1.3833
42	G	A	-1.9602
43	K	A	-3.3067
44	E	A	-3.4998
45	R	A	-2.5801
46	E	A	-1.7379
47	L	A	-0.4121
48	V	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	S	A	0.0060
53	W	A	0.1425
54	S	A	-0.2205
55	G	A	-0.4290
56	S	A	-0.2071
57	G	A	-0.0130
58	T	A	0.0916
59	Y	A	-0.2535
60	H	A	-1.1518
61	A	A	0.0000
62	D	A	-2.5585
63	S	A	-1.8692
64	V	A	0.0000
65	K	A	-2.7518
66	G	A	-1.9641
67	R	A	-1.8588
68	F	A	0.0000
69	T	A	-1.1213
70	I	A	0.0000
71	S	A	-0.4363
72	R	A	-0.8690
73	D	A	-1.4914
74	N	A	-1.7164
75	A	A	-1.4428
76	K	A	-2.0400
77	N	A	-1.7664
78	M	A	-1.0985
79	V	A	0.0000
80	Y	A	-0.5985
81	L	A	0.0000
82	Q	A	-1.6751
83	M	A	0.0000
84	N	A	-2.1133
85	S	A	-1.4928
86	L	A	0.0000
87	K	A	-2.4409
88	P	A	-1.8545
89	E	A	-2.3100
90	D	A	0.0000
91	T	A	-0.8665
92	A	A	0.0000
93	V	A	-0.4198
94	Y	A	0.0000
95	Y	A	-0.4897
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	G	A	0.0000
100	Q	A	-1.6643
101	T	A	-1.1747
102	G	A	-0.8243
103	W	A	-0.7666
104	N	A	-1.6211
105	P	A	-1.3353
106	G	A	-1.4420
107	S	A	-1.8922
108	D	A	-2.7672
109	F	A	-1.7546
110	H	A	-2.0903
111	R	A	-2.1968
112	W	A	-1.0380
113	G	A	-1.3180
114	K	A	-1.8347
115	G	A	-1.0806
116	T	A	-1.0584
117	Q	A	-0.9652
118	V	A	0.0000
119	T	A	-0.2243
120	V	A	0.0000
121	S	A	-0.6847
122	S	A	-0.8018