Project name: query_structure

Chain sequence(s)	A: MAQVQLVESGGGLVQAGASMRLSCAASGITFSLYHWVWFRQAAGREHEFVAGIIRSGGETLSADSVKDRFIISRDDAKNTLYLQMNMLQPEDTATYYCAATHRADWYSSAFREYIFRGQGTQVTVS
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -3.4324
• Maximal score value: 1.1302
• Average score: -0.7379
• Total score value: -92.9784

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	M	A	0.8861
2	A	A	-0.0035
3	Q	A	-0.8519
4	V	A	-0.1592
5	Q	A	-0.7828
6	L	A	0.0000
7	V	A	0.6901
8	E	A	0.0000
9	S	A	-0.5500
10	G	A	-1.2081
11	G	A	-0.9694
12	G	A	0.0444
13	L	A	1.0107
14	V	A	0.1244
15	Q	A	-0.9707
16	A	A	-0.9472
17	G	A	-0.6297
18	A	A	-0.4725
19	S	A	-0.8118
20	M	A	0.0000
21	R	A	-2.0419
22	L	A	0.0000
23	S	A	-0.4463
24	C	A	0.0000
25	A	A	-0.2218
26	A	A	0.0000
27	S	A	-0.3736
28	G	A	-0.1825
29	I	A	0.2728
30	T	A	0.1924
31	F	A	0.0000
32	S	A	-0.5247
33	L	A	0.4613
34	Y	A	0.0000
35	H	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	W	A	0.0000
39	F	A	-0.4547
40	R	A	-1.2926
41	Q	A	-2.0256
42	A	A	-1.9393
43	A	A	-1.0780
44	G	A	-1.8536
45	R	A	-3.3263
46	E	A	-3.4324
47	H	A	-2.4874
48	E	A	-1.8498
49	F	A	0.0000
50	V	A	0.0000
51	A	A	0.0000
52	G	A	0.0000
53	I	A	0.0000
54	I	A	-1.3882
55	R	A	-2.3499
56	S	A	-1.4182
57	G	A	-1.8745
58	G	A	-1.7754
59	E	A	-2.1951
60	T	A	-0.4905
61	L	A	0.3500
62	S	A	-0.5717
63	A	A	-1.4107
64	D	A	-2.6587
65	S	A	-1.9780
66	V	A	0.0000
67	K	A	-3.0309
68	D	A	-2.6517
69	R	A	-1.2534
70	F	A	0.0000
71	I	A	0.4617
72	I	A	0.0000
73	S	A	-0.3940
74	R	A	-1.4053
75	D	A	-2.0156
76	D	A	-2.4211
77	A	A	-1.7800
78	K	A	-2.5847
79	N	A	-2.1325
80	T	A	-1.2683
81	L	A	0.0000
82	Y	A	-0.3839
83	L	A	0.0000
84	Q	A	-0.6296
85	M	A	0.0000
86	N	A	-0.5364
87	M	A	-0.0098
88	L	A	0.0000
89	Q	A	-1.4552
90	P	A	-1.6825
91	E	A	-2.1846
92	D	A	0.0000
93	T	A	-0.9291
94	A	A	0.0000
95	T	A	-0.9266
96	Y	A	0.0000
97	Y	A	-0.6097
98	C	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	T	A	0.0000
102	H	A	-1.6421
103	R	A	-2.4415
104	A	A	-1.2648
105	D	A	-0.6581
106	W	A	0.0000
107	Y	A	1.1302
108	S	A	0.2595
109	S	A	-0.3223
110	A	A	-0.5184
111	F	A	-1.3117
112	R	A	-2.4088
113	E	A	-2.4134
114	Y	A	-0.9696
115	I	A	0.4084
116	F	A	0.2496
117	R	A	-1.0343
118	G	A	-0.8095
119	Q	A	-1.2529
120	G	A	0.0000
121	T	A	0.0000
122	Q	A	-1.2432
123	V	A	0.0000
124	T	A	-0.3033
125	V	A	0.0000
126	S	A	-0.6430