Project name: query_structure

Chain sequence(s)	A: QVQLVESGGALVQPGGSLRLSCAASGMTGIFWRLRWYRQAPGKEREWVCGISQLPTPASYEDSVKGRFTCSRDDARNTVYLQLNSLKPEDTAVYYCAAANVLPGLPAELPIYWGQGTQVTVSS
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                                          (00:01:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:47)

• Minimal score value: -3.7287
• Maximal score value: 1.7479
• Average score: -0.6675
• Total score value: -82.098

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	-1.3970
2	V	A	-0.7465
3	Q	A	-0.7874
4	L	A	0.0000
5	V	A	0.4647
6	E	A	0.0000
7	S	A	-0.7009
8	G	A	-1.1377
9	G	A	-0.7198
10	A	A	0.1522
11	L	A	1.1674
12	V	A	0.0741
13	Q	A	-1.2688
14	P	A	-1.4749
15	G	A	-1.2828
16	G	A	-0.8427
17	S	A	-1.2224
18	L	A	-0.9879
19	R	A	-2.2060
20	L	A	0.0000
21	S	A	-0.5413
22	C	A	0.0000
23	A	A	-0.3541
24	A	A	-0.1738
25	S	A	-0.8334
26	G	A	-0.9530
27	M	A	-0.0646
28	T	A	0.1963
29	G	A	0.3309
30	I	A	0.8569
31	F	A	0.0000
32	W	A	0.5017
33	R	A	-0.7754
34	L	A	0.0000
35	R	A	-0.4905
36	W	A	0.0000
37	Y	A	-0.8729
38	R	A	-1.6264
39	Q	A	-2.3677
40	A	A	-2.2060
41	P	A	-1.6157
42	G	A	-1.9350
43	K	A	-3.4829
44	E	A	-3.7287
45	R	A	-3.0607
46	E	A	-2.9414
47	W	A	-1.1604
48	V	A	0.0000
49	C	A	0.0000
50	G	A	-0.4605
51	I	A	-0.2944
52	S	A	-0.1638
53	Q	A	-0.0127
54	L	A	0.7231
55	P	A	0.1789
56	T	A	0.0560
57	P	A	-0.1629
58	A	A	-0.1176
59	S	A	-0.6857
60	Y	A	-1.1780
61	E	A	-2.1563
62	D	A	-2.7982
63	S	A	-1.8460
64	V	A	0.0000
65	K	A	-2.8051
66	G	A	-1.8169
67	R	A	-1.3595
68	F	A	0.0000
69	T	A	-0.9321
70	C	A	0.0000
71	S	A	-0.7218
72	R	A	-1.6269
73	D	A	-2.4143
74	D	A	-2.7389
75	A	A	-1.9553
76	R	A	-2.9171
77	N	A	-1.9314
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7516
81	L	A	0.0000
82	Q	A	-1.4696
83	L	A	0.0000
84	N	A	-1.3195
85	S	A	-1.1233
86	L	A	0.0000
87	K	A	-2.0879
88	P	A	-1.7915
89	E	A	-2.2743
90	D	A	0.0000
91	T	A	-0.8940
92	A	A	0.0000
93	V	A	-0.6527
94	Y	A	0.0000
95	Y	A	-0.4894
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	A	A	0.2629
100	N	A	0.5760
101	V	A	0.8942
102	L	A	1.7479
103	P	A	0.5770
104	G	A	0.2926
105	L	A	0.8698
106	P	A	-0.1389
107	A	A	-0.4266
108	E	A	-1.3644
109	L	A	0.1247
110	P	A	0.1826
111	I	A	0.8017
112	Y	A	0.8202
113	W	A	0.5261
114	G	A	-0.0473
115	Q	A	-1.0651
116	G	A	-0.6436
117	T	A	0.0000
118	Q	A	-1.1518
119	V	A	0.0000
120	T	A	-0.2117
121	V	A	0.0000
122	S	A	-0.6234
123	S	A	-0.8952