Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYWEPGIGGEAIALRVPGSERSYDLTGLKPGTEYKVWIHGVKGGASSPPLIARFTT
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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -3.0932
• Maximal score value: 1.5655
• Average score: -0.7149
• Total score value: -64.3386

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	1.0638
2	L	A	0.4475
3	P	A	-0.2165
4	A	A	-0.5107
5	P	A	0.0000
6	K	A	-2.0265
7	N	A	-1.1675
8	L	A	0.1285
9	V	A	0.9678
10	V	A	0.0587
11	S	A	-0.6072
12	R	A	-2.0051
13	V	A	-1.0385
14	T	A	-1.8177
15	E	A	-3.0932
16	D	A	-2.8231
17	S	A	-2.0880
18	A	A	0.0000
19	R	A	-1.1618
20	L	A	0.0000
21	S	A	-0.3287
22	W	A	0.0000
23	T	A	-1.2801
24	A	A	-1.4082
25	P	A	-1.4059
26	D	A	-2.2764
27	A	A	-1.4172
28	A	A	-1.1599
29	F	A	0.0000
30	D	A	-2.4018
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.8230
34	I	A	0.0000
35	A	A	0.2256
36	Y	A	0.0000
37	W	A	-0.3792
38	E	A	-0.8959
39	P	A	-0.4880
40	G	A	0.1555
41	I	A	1.2474
42	G	A	-0.1306
43	G	A	-0.4675
44	E	A	-1.4589
45	A	A	-0.4718
46	I	A	0.3811
47	A	A	-0.0267
48	L	A	-0.4334
49	R	A	-1.8160
50	V	A	0.0000
51	P	A	-1.5371
52	G	A	0.0000
53	S	A	-1.6241
54	E	A	-1.5344
55	R	A	-1.1552
56	S	A	-0.6080
57	Y	A	-0.6417
58	D	A	-1.4791
59	L	A	0.0000
60	T	A	-1.3209
61	G	A	-1.5265
62	L	A	0.0000
63	K	A	-3.0532
64	P	A	-2.6405
65	G	A	-1.8892
66	T	A	-1.9065
67	E	A	-2.2559
68	Y	A	0.0000
69	K	A	-0.9044
70	V	A	0.0000
71	W	A	1.0230
72	I	A	0.0000
73	H	A	-0.2160
74	G	A	0.0000
75	V	A	-1.1745
76	K	A	-1.6029
77	G	A	-1.3599
78	G	A	-1.0879
79	A	A	-0.5338
80	S	A	-0.2672
81	S	A	0.0000
82	P	A	0.2609
83	P	A	0.2845
84	L	A	0.7466
85	I	A	1.5655
86	A	A	0.2646
87	R	A	-1.5946
88	F	A	0.0000
89	T	A	-1.6611
90	T	A	-1.9600