Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYWEPGIGGEAIWLRVPGSERSYDLTGLKPGTEYAVWIHGVKGGASSPPLIARFTT
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -3.1127
• Maximal score value: 1.4351
• Average score: -0.7044
• Total score value: -63.3934

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	1.0706
2	L	A	0.4552
3	P	A	-0.1953
4	A	A	-0.4970
5	P	A	0.0000
6	K	A	-2.0982
7	N	A	-1.3240
8	L	A	-0.0029
9	V	A	0.9039
10	V	A	0.0120
11	S	A	-0.6280
12	R	A	-2.0197
13	V	A	-1.0392
14	T	A	-1.8056
15	E	A	-3.0736
16	D	A	-2.7790
17	S	A	-2.1052
18	A	A	0.0000
19	R	A	-1.2189
20	L	A	0.0000
21	S	A	-0.4021
22	W	A	0.0000
23	T	A	-1.3512
24	A	A	-1.4417
25	P	A	-1.4179
26	D	A	-2.2785
27	A	A	-1.4277
28	A	A	-1.1713
29	F	A	0.0000
30	D	A	-2.5345
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.6462
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.5772
37	W	A	-0.2334
38	E	A	-0.9822
39	P	A	-0.7329
40	G	A	-0.0583
41	I	A	1.0374
42	G	A	-0.1638
43	G	A	-0.5390
44	E	A	-1.3284
45	A	A	-0.0859
46	I	A	1.0963
47	W	A	1.0923
48	L	A	0.1135
49	R	A	-1.6219
50	V	A	0.0000
51	P	A	-1.5530
52	G	A	0.0000
53	S	A	-1.6275
54	E	A	-1.7223
55	R	A	-1.1648
56	S	A	-0.6519
57	Y	A	-0.7132
58	D	A	-1.6447
59	L	A	0.0000
60	T	A	-1.3580
61	G	A	-1.5137
62	L	A	0.0000
63	K	A	-3.1127
64	P	A	-2.6896
65	G	A	-2.0019
66	T	A	-2.0210
67	E	A	-2.5196
68	Y	A	0.0000
69	A	A	0.0000
70	V	A	0.0000
71	W	A	1.1559
72	I	A	0.0000
73	H	A	-0.3199
74	G	A	0.0000
75	V	A	-1.2913
76	K	A	-1.6929
77	G	A	-1.4048
78	G	A	-1.1438
79	A	A	-0.6172
80	S	A	-0.3765
81	S	A	0.0000
82	P	A	0.2415
83	P	A	0.2330
84	L	A	0.7624
85	I	A	1.4351
86	A	A	0.2559
87	R	A	-1.6010
88	F	A	0.0000
89	T	A	-1.8264
90	T	A	-2.0644