Project name: query_structure

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

• Minimal score value: -2.8005
• Maximal score value: 2.2172
• Average score: -0.1286
• Total score value: -12.4785

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	1.2756
2	A	A	0.8402
3	V	A	1.0728
4	S	A	0.2636
5	D	A	0.4193
6	V	A	-0.0373
7	P	A	0.0000
8	R	A	-2.0549
9	K	A	-2.8005
10	L	A	0.0000
11	E	A	-1.9527
12	V	A	0.1383
13	V	A	1.5710
14	A	A	0.9248
15	A	A	0.3402
16	T	A	-0.1752
17	P	A	-1.1451
18	T	A	-1.0221
19	S	A	-0.5189
20	L	A	0.0000
21	L	A	0.8146
22	I	A	0.0000
23	S	A	-0.5376
24	W	A	0.0000
25	D	A	-1.8501
26	Y	A	0.4611
27	Y	A	0.8500
28	S	A	0.6722
29	Y	A	1.4089
30	S	A	0.8240
31	Y	A	0.0000
32	N	A	-0.3108
33	Y	A	0.1235
34	Y	A	0.0000
35	R	A	-0.3338
36	I	A	0.0000
37	T	A	0.0000
38	Y	A	-0.4648
39	G	A	-0.8106
40	E	A	-1.7456
41	T	A	-1.3641
42	G	A	-1.2759
43	G	A	-1.4772
44	N	A	-1.5560
45	S	A	-0.8893
46	P	A	-0.4089
47	V	A	0.2545
48	Q	A	-1.2311
49	E	A	-1.8223
50	F	A	-0.7091
51	T	A	-0.1781
52	V	A	0.6019
53	P	A	0.5346
54	G	A	0.0000
55	Y	A	1.9934
56	Y	A	1.8140
57	Y	A	1.0740
58	T	A	0.5971
59	A	A	0.0000
60	T	A	0.1523
61	I	A	0.0000
62	S	A	-0.6526
63	G	A	-1.0383
64	L	A	0.0000
65	K	A	-2.4605
66	P	A	-1.7985
67	G	A	-1.5768
68	V	A	-1.6376
69	D	A	-2.2877
70	Y	A	0.0000
71	T	A	-0.8386
72	I	A	0.0000
73	T	A	-0.3302
74	V	A	0.0000
75	Y	A	0.4051
76	A	A	0.0000
77	V	A	0.0000
78	T	A	1.2559
79	L	A	1.8066
80	Y	A	2.1031
81	G	A	1.1026
82	P	A	0.3469
83	G	A	0.5416
84	Y	A	2.1577
85	Y	A	2.2172
86	Y	A	2.1780
87	Y	A	1.6146
88	Y	A	0.7517
89	P	A	0.1508
90	G	A	0.0357
91	I	A	-0.0639
92	S	A	-0.5954
93	I	A	-0.7076
94	N	A	-1.7658
95	Y	A	-1.5289
96	R	A	-2.6300
97	T	A	-1.5835