Project name: query_structure

Chain sequence(s)	A: MAQVQLVESGGGLVQAGAALRLSSAASGGTFSFYNMGWFRQAPGKEREFVVSISRSGGGTAYADSVKGRFTISRDNAKNTAYLQMNSLKPEDTAVYYSAAGLRDWGREGEPHYWGQGTQVTVS
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.                                          (00:01:03)

• Minimal score value: -3.892
• Maximal score value: 1.6944
• Average score: -0.8678
• Total score value: -106.7453

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	0.7603
2	A	A	-0.2175
3	Q	A	-1.1374
4	V	A	-0.7479
5	Q	A	-0.9680
6	L	A	0.0000
7	V	A	1.0738
8	E	A	0.0000
9	S	A	-0.5802
10	G	A	-1.0262
11	G	A	-0.8185
12	G	A	-0.0408
13	L	A	1.0345
14	V	A	0.0774
15	Q	A	-1.1723
16	A	A	-1.4220
17	G	A	-1.2727
18	A	A	-0.8501
19	A	A	-0.8547
20	L	A	-0.9866
21	R	A	-2.0943
22	L	A	0.0000
23	S	A	-0.3836
24	S	A	0.0000
25	A	A	-0.1853
26	A	A	-0.5642
27	S	A	-0.7121
28	G	A	-1.0356
29	G	A	-0.6212
30	T	A	0.0800
31	F	A	0.0000
32	S	A	-0.1279
33	F	A	1.6944
34	Y	A	0.5347
35	N	A	0.0000
36	M	A	0.0000
37	G	A	0.0000
38	W	A	0.0000
39	F	A	-0.3336
40	R	A	0.0000
41	Q	A	-2.1888
42	A	A	-2.0881
43	P	A	-1.4237
44	G	A	-1.9624
45	K	A	-3.4028
46	E	A	-3.5901
47	R	A	-2.7879
48	E	A	-2.0545
49	F	A	-0.5424
50	V	A	0.0000
51	V	A	0.0000
52	S	A	0.0000
53	I	A	0.0000
54	S	A	-0.8169
55	R	A	-0.4771
56	S	A	-0.6122
57	G	A	-1.0575
58	G	A	-0.8607
59	G	A	-0.8019
60	T	A	-0.4031
61	A	A	-0.4414
62	Y	A	-0.7883
63	A	A	-1.3505
64	D	A	-2.4067
65	S	A	-1.7806
66	V	A	0.0000
67	K	A	-2.6162
68	G	A	-1.7979
69	R	A	-1.3812
70	F	A	0.0000
71	T	A	-0.8513
72	I	A	0.0000
73	S	A	-0.4898
74	R	A	-1.1982
75	D	A	-1.7959
76	N	A	-1.8571
77	A	A	-1.5839
78	K	A	-2.3999
79	N	A	-2.0008
80	T	A	0.0000
81	A	A	0.0000
82	Y	A	-0.6042
83	L	A	0.0000
84	Q	A	-1.1912
85	M	A	0.0000
86	N	A	-1.3643
87	S	A	-1.2014
88	L	A	0.0000
89	K	A	-2.4574
90	P	A	-1.9873
91	E	A	-2.4142
92	D	A	0.0000
93	T	A	-0.9916
94	A	A	0.0000
95	V	A	-0.5958
96	Y	A	0.0000
97	Y	A	-0.1218
98	S	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	G	A	0.0000
102	L	A	-0.5841
103	R	A	-3.3447
104	D	A	-2.9395
105	W	A	-2.0505
106	G	A	-2.5285
107	R	A	-3.8920
108	E	A	-3.7514
109	G	A	-3.1353
110	E	A	-2.9651
111	P	A	-1.5761
112	H	A	-0.9484
113	Y	A	-0.4929
114	W	A	0.0364
115	G	A	-0.0229
116	Q	A	-0.7918
117	G	A	0.0000
118	T	A	0.0000
119	Q	A	-1.0411
120	V	A	0.0000
121	T	A	-0.3166
122	V	A	0.0000
123	S	A	-0.7642