Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSCTYSVYTYSSDSMAWFRQAPGKEREGVAGIYIGSGSTLYADSAKGRLTISQDKAKNTVYLQMNSLKPEDTALYYCAAGGNWYDGVLNVERAFAYWGQGTQVTVSS
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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -3.5036
• Maximal score value: 1.5875
• Average score: -0.7881
• Total score value: -99.298

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	-1.0916
2	V	A	-0.3787
3	Q	A	-0.7142
4	L	A	0.0000
5	V	A	1.0792
6	E	A	0.0052
7	S	A	-0.5231
8	G	A	-1.2300
9	G	A	-1.2073
10	G	A	-0.9161
11	S	A	-0.7038
12	V	A	-0.7334
13	Q	A	-1.5601
14	A	A	-1.6162
15	G	A	-1.3830
16	G	A	-1.1629
17	S	A	-1.4629
18	L	A	-1.3445
19	R	A	-2.3159
20	L	A	0.0000
21	S	A	-0.4330
22	C	A	0.0000
23	T	A	-0.1784
24	Y	A	0.0000
25	S	A	0.2580
26	V	A	1.5875
27	Y	A	0.9922
28	T	A	1.0061
29	Y	A	1.2318
30	S	A	0.1232
31	S	A	-0.3398
32	D	A	-0.3663
33	S	A	0.0000
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.4137
39	Q	A	-2.1107
40	A	A	-2.0092
41	P	A	-1.4309
42	G	A	-1.9571
43	K	A	-3.3144
44	E	A	-3.5036
45	R	A	-3.1876
46	E	A	-2.3806
47	G	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	Y	A	-0.4346
53	I	A	0.0000
54	G	A	-0.6626
55	S	A	-0.5873
56	G	A	-0.4695
57	S	A	-0.2755
58	T	A	0.0307
59	L	A	0.0601
60	Y	A	-0.5906
61	A	A	-1.4113
62	D	A	-2.3182
63	S	A	-1.6013
64	A	A	0.0000
65	K	A	-2.5769
66	G	A	-1.8960
67	R	A	-1.7917
68	L	A	0.0000
69	T	A	-1.0221
70	I	A	0.0000
71	S	A	-0.5811
72	Q	A	-1.1960
73	D	A	-1.9445
74	K	A	-2.6877
75	A	A	-1.8722
76	K	A	-2.5970
77	N	A	-1.6973
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6590
81	L	A	0.0000
82	Q	A	-1.6620
83	M	A	0.0000
84	N	A	-2.0635
85	S	A	-1.4370
86	L	A	0.0000
87	K	A	-2.1916
88	P	A	-1.7491
89	E	A	-2.2138
90	D	A	0.0000
91	T	A	-1.1260
92	A	A	0.0000
93	L	A	-0.6817
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	G	A	0.0000
100	G	A	-1.0379
101	N	A	-1.1894
102	W	A	0.0000
103	Y	A	-0.0119
104	D	A	-1.3784
105	G	A	-0.8766
106	V	A	-0.4714
107	L	A	0.0000
108	N	A	-1.9527
109	V	A	-1.9195
110	E	A	-3.1094
111	R	A	-2.8289
112	A	A	-1.6931
113	F	A	0.0000
114	A	A	-0.2738
115	Y	A	0.1808
116	W	A	0.1063
117	G	A	-0.1512
118	Q	A	-1.0601
119	G	A	-0.6802
120	T	A	0.0000
121	Q	A	-1.5102
122	V	A	0.0000
123	T	A	-0.9384
124	V	A	0.0000
125	S	A	-1.0994
126	S	A	-0.8105