Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYWEPGIGGEAIWLRVPGSERSYDLTGLKPGTEYKVAIHGVKGGASSPPLIARFTT
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -3.104
• Maximal score value: 1.2144
• Average score: -0.7487
• Total score value: -67.3841

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	1.0696
2	L	A	0.4294
3	P	A	-0.1479
4	A	A	-0.5165
5	P	A	0.0000
6	K	A	-1.8419
7	N	A	-1.3330
8	L	A	-0.0386
9	V	A	0.9720
10	V	A	0.0693
11	S	A	-0.5709
12	R	A	-1.9996
13	V	A	-1.0582
14	T	A	-1.8156
15	E	A	-3.1040
16	D	A	-2.8208
17	S	A	-2.1051
18	A	A	0.0000
19	R	A	-1.1522
20	L	A	0.0000
21	S	A	-0.3432
22	W	A	0.0000
23	T	A	-1.2994
24	A	A	-1.4071
25	P	A	-1.3836
26	D	A	-2.2735
27	A	A	-1.4397
28	A	A	-1.1892
29	F	A	0.0000
30	D	A	-2.5724
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.8418
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.3145
37	W	A	-0.3761
38	E	A	-0.9905
39	P	A	-0.7529
40	G	A	0.1085
41	I	A	1.2144
42	G	A	-0.1819
43	G	A	-0.5154
44	E	A	-1.3269
45	A	A	-0.2087
46	I	A	1.0222
47	W	A	1.0187
48	L	A	0.0502
49	R	A	-1.6514
50	V	A	0.0000
51	P	A	-1.5672
52	G	A	0.0000
53	S	A	-1.6185
54	E	A	-1.7329
55	R	A	-1.1884
56	S	A	-0.6614
57	Y	A	-0.7700
58	D	A	-1.6346
59	L	A	0.0000
60	T	A	-1.3597
61	G	A	-1.5277
62	L	A	0.0000
63	K	A	-3.0811
64	P	A	-2.5857
65	G	A	-1.9191
66	T	A	-2.0028
67	E	A	-2.4067
68	Y	A	0.0000
69	K	A	-1.0907
70	V	A	0.0000
71	A	A	0.0000
72	I	A	0.0000
73	H	A	-0.4317
74	G	A	0.0000
75	V	A	-1.3606
76	K	A	-1.8049
77	G	A	-1.4568
78	G	A	-1.1750
79	A	A	-0.6646
80	S	A	-0.4352
81	S	A	0.0000
82	P	A	0.1464
83	P	A	0.0110
84	L	A	0.3502
85	I	A	0.9723
86	A	A	0.0108
87	R	A	-1.7281
88	F	A	0.0000
89	T	A	-1.7055
90	T	A	-1.9767