Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWEGYRNNAHFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVVAAVPRNYYSNPLSAIFTT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:56)

• Minimal score value: -3.2662
• Maximal score value: 1.9476
• Average score: -0.7182
• Total score value: -68.9508

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	1.3930
2	L	A	1.1814
3	P	A	0.0308
4	A	A	-0.4315
5	P	A	0.0000
6	K	A	-2.5283
7	N	A	-1.4737
8	L	A	-0.3621
9	V	A	0.9510
10	V	A	0.7553
11	S	A	-0.6037
12	R	A	-1.8810
13	V	A	-1.0952
14	T	A	-1.8393
15	E	A	-3.1237
16	D	A	-2.7730
17	S	A	-2.0736
18	A	A	0.0000
19	R	A	-1.1610
20	L	A	0.0000
21	S	A	-0.7158
22	W	A	0.0000
23	E	A	-3.1245
24	G	A	-2.7035
25	Y	A	-1.8122
26	R	A	-3.2662
27	N	A	-2.9865
28	N	A	-2.7039
29	A	A	-2.0249
30	H	A	-2.2320
31	F	A	0.0000
32	D	A	-2.0946
33	S	A	-1.1721
34	F	A	0.0000
35	L	A	0.7150
36	I	A	0.0000
37	Q	A	0.6346
38	Y	A	0.3830
39	Q	A	-0.9678
40	E	A	-2.1196
41	S	A	-1.5976
42	E	A	-2.7825
43	K	A	-2.4773
44	V	A	-0.1484
45	G	A	-1.0671
46	E	A	-1.4394
47	A	A	-0.1798
48	I	A	1.2039
49	V	A	1.9476
50	L	A	1.3313
51	T	A	0.3143
52	V	A	0.0000
53	P	A	-1.1912
54	G	A	0.0000
55	S	A	-1.5127
56	E	A	-1.8134
57	R	A	-1.9254
58	S	A	-1.1120
59	Y	A	-0.7941
60	D	A	-1.4727
61	L	A	0.0000
62	T	A	-1.3000
63	G	A	-1.5100
64	L	A	0.0000
65	K	A	-3.0857
66	P	A	-2.5942
67	G	A	-1.8142
68	T	A	0.0000
69	E	A	-1.7971
70	Y	A	0.0000
71	T	A	-0.0564
72	V	A	0.0000
73	S	A	0.4235
74	I	A	0.0000
75	Y	A	0.4823
76	G	A	0.0000
77	V	A	0.0000
78	V	A	-0.3206
79	A	A	-0.5120
80	A	A	-0.1961
81	V	A	0.8458
82	P	A	-0.2728
83	R	A	-1.6348
84	N	A	-1.3423
85	Y	A	0.4520
86	Y	A	1.2079
87	S	A	0.0000
88	N	A	-0.0820
89	P	A	-0.2688
90	L	A	-0.4329
91	S	A	0.3036
92	A	A	1.2531
93	I	A	1.8335
94	F	A	0.0000
95	T	A	-0.6865
96	T	A	-1.9040