Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQPGGSLRLSCTVSGINFDTTYMYWVRQAPGKGLEWVSGIAPSGYTQKYADFVKGRFTISRDSAKNTLYLQMNSLQPEDTAVYYCAKDRAGDSRGQGTQVTVSS
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                                          (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -2.6547
• Maximal score value: 1.0426
• Average score: -0.8853
• Total score value: -101.8092

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	-1.2800
2	V	A	-0.9108
3	Q	A	-1.8157
4	L	A	0.0000
5	Q	A	-1.7386
6	E	A	0.0000
7	S	A	-1.1660
8	G	A	-1.1585
9	G	A	-0.7971
10	G	A	-0.0358
11	L	A	1.0426
12	V	A	0.0414
13	Q	A	-1.2567
14	P	A	-1.4376
15	G	A	-1.2970
16	G	A	-0.8916
17	S	A	-1.0727
18	L	A	-0.9483
19	R	A	-2.1335
20	L	A	0.0000
21	S	A	-0.8143
22	C	A	0.0000
23	T	A	-1.1157
24	V	A	0.0000
25	S	A	-1.0957
26	G	A	-1.0198
27	I	A	-1.0639
28	N	A	-1.6910
29	F	A	0.0000
30	D	A	-2.2557
31	T	A	-1.0961
32	T	A	-0.4469
33	Y	A	0.3517
34	M	A	0.0000
35	Y	A	-0.5551
36	W	A	0.0000
37	V	A	0.0000
38	R	A	-0.8781
39	Q	A	-1.3149
40	A	A	-1.5647
41	P	A	-1.3494
42	G	A	-1.5215
43	K	A	-2.4000
44	G	A	-1.5261
45	L	A	-1.0377
46	E	A	-1.4646
47	W	A	-0.9701
48	V	A	0.0000
49	S	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	A	A	0.0000
53	P	A	-0.4268
54	S	A	-0.1696
55	G	A	0.0334
56	Y	A	0.7760
57	T	A	-0.2139
58	Q	A	-1.2236
59	K	A	-2.2466
60	Y	A	-1.7475
61	A	A	0.0000
62	D	A	-2.2784
63	F	A	-1.0690
64	V	A	0.0000
65	K	A	-2.6547
66	G	A	-1.7019
67	R	A	-1.3928
68	F	A	0.0000
69	T	A	-1.1658
70	I	A	0.0000
71	S	A	-0.2865
72	R	A	-0.8998
73	D	A	-1.4495
74	S	A	-1.7805
75	A	A	-1.3727
76	K	A	-2.1326
77	N	A	-2.0171
78	T	A	-1.1816
79	L	A	0.0000
80	Y	A	-0.5575
81	L	A	0.0000
82	Q	A	-1.2447
83	M	A	0.0000
84	N	A	-1.4797
85	S	A	-1.1990
86	L	A	0.0000
87	Q	A	-1.9114
88	P	A	-1.7171
89	E	A	-2.1370
90	D	A	0.0000
91	T	A	-0.8608
92	A	A	0.0000
93	V	A	-0.4480
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	K	A	-1.1886
99	D	A	-1.7312
100	R	A	-1.9863
101	A	A	-1.5601
102	G	A	0.0000
103	D	A	-2.4576
104	S	A	-1.9317
105	R	A	-2.3415
106	G	A	-1.8976
107	Q	A	-1.9150
108	G	A	-1.3353
109	T	A	-1.1141
110	Q	A	-1.1837
111	V	A	0.0000
112	T	A	-0.2371
113	V	A	0.0000
114	S	A	-0.5933
115	S	A	-0.4939