Project name: query_structure

Chain sequence(s)	A: MEVQLVEKGGGRVQAGGSLRLRCAASGITFSINTMGWYRQAPGKQRELVALISSIGDTYYADSVKGRFRIRRDNAKNTVYLRMRRLKPEDTAVYYCKRFRTAAQGTDYWGQGTRVTVSK
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                                          (00:02:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:15)

• Minimal score value: -3.6155
• Maximal score value: 1.6868
• Average score: -0.9901
• Total score value: -117.824

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	0.2747
2	E	A	-1.0698
3	V	A	0.1699
4	Q	A	-0.6301
5	L	A	0.0000
6	V	A	-0.1655
7	E	A	0.0000
8	K	A	-2.7397
9	G	A	-2.4743
10	G	A	-2.2923
11	G	A	-2.0801
12	R	A	-2.4134
13	V	A	-1.7922
14	Q	A	-2.6148
15	A	A	-2.9330
16	G	A	-2.6357
17	G	A	-2.1657
18	S	A	-2.4506
19	L	A	-2.0441
20	R	A	-3.0569
21	L	A	0.0000
22	R	A	-2.3308
23	C	A	0.0000
24	A	A	-0.8817
25	A	A	0.0000
26	S	A	-0.4803
27	G	A	-0.1894
28	I	A	0.1989
29	T	A	0.3055
30	F	A	0.0000
31	S	A	0.3367
32	I	A	1.6868
33	N	A	0.0000
34	T	A	0.1434
35	M	A	0.0000
36	G	A	0.0000
37	W	A	0.0000
38	Y	A	-0.1215
39	R	A	0.0000
40	Q	A	-1.5775
41	A	A	-1.6123
42	P	A	-1.1057
43	G	A	-1.5418
44	K	A	-2.3781
45	Q	A	-2.4298
46	R	A	-1.8658
47	E	A	-1.0658
48	L	A	0.0533
49	V	A	0.0000
50	A	A	0.0000
51	L	A	-0.0442
52	I	A	0.0000
53	S	A	0.0666
54	S	A	0.7965
55	I	A	1.5060
56	G	A	-0.5702
57	D	A	-1.2758
58	T	A	-0.6656
59	Y	A	-0.0177
60	Y	A	-0.6077
61	A	A	-1.1299
62	D	A	-2.4049
63	S	A	-1.8376
64	V	A	0.0000
65	K	A	-2.6944
66	G	A	-2.3067
67	R	A	-2.6643
68	F	A	0.0000
69	R	A	-2.4386
70	I	A	0.0000
71	R	A	-2.5141
72	R	A	-1.9959
73	D	A	-1.9307
74	N	A	-1.8204
75	A	A	-1.4847
76	K	A	-2.3445
77	N	A	-1.7729
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	R	A	-2.7348
83	M	A	0.0000
84	R	A	-3.6155
85	R	A	-3.5506
86	L	A	0.0000
87	K	A	-3.5717
88	P	A	-2.3732
89	E	A	-2.4370
90	D	A	0.0000
91	T	A	-1.4700
92	A	A	0.0000
93	V	A	-0.7166
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	K	A	-0.0730
98	R	A	0.0000
99	F	A	-0.2265
100	R	A	-1.0823
101	T	A	-0.4393
102	A	A	-0.4302
103	A	A	-0.5766
104	Q	A	-1.2191
105	G	A	-1.0712
106	T	A	-0.6746
107	D	A	-0.6118
108	Y	A	0.0421
109	W	A	0.1076
110	G	A	-0.3683
111	Q	A	-1.2000
112	G	A	-1.0949
113	T	A	-1.6771
114	R	A	-2.3637
115	V	A	0.0000
116	T	A	-1.7499
117	V	A	0.0000
118	S	A	-2.1582
119	K	A	-2.3664