Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYWEAGIGGEAIWLRVPGSERSYDLTGLKPGTEYKVWIHGVKGGASSPPLIARFTT
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)

• Minimal score value: -3.0863
• Maximal score value: 1.783
• Average score: -0.7295
• Total score value: -65.6582

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	1.0639
2	L	A	0.4183
3	P	A	-0.1799
4	A	A	-0.5078
5	P	A	0.0000
6	K	A	-2.1353
7	N	A	-1.3615
8	L	A	0.0360
9	V	A	0.8906
10	V	A	0.0017
11	S	A	-0.6214
12	R	A	-2.0124
13	V	A	-1.0395
14	T	A	-1.8054
15	E	A	-3.0863
16	D	A	-2.8008
17	S	A	-2.1115
18	A	A	0.0000
19	R	A	-1.1958
20	L	A	0.0000
21	S	A	-0.4093
22	W	A	0.0000
23	T	A	-1.3709
24	A	A	-1.4466
25	P	A	-1.4089
26	D	A	-2.2755
27	A	A	-1.4448
28	A	A	-1.1953
29	F	A	0.0000
30	D	A	-2.4788
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.6439
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.2937
37	W	A	-0.8459
38	E	A	-1.5415
39	A	A	-1.0709
40	G	A	-0.0884
41	I	A	1.2246
42	G	A	-0.2454
43	G	A	-0.9854
44	E	A	-1.4944
45	A	A	-0.3149
46	I	A	0.9337
47	W	A	1.0815
48	L	A	0.0652
49	R	A	-1.6074
50	V	A	0.0000
51	P	A	-1.5565
52	G	A	0.0000
53	S	A	-1.6267
54	E	A	-1.5466
55	R	A	-1.1714
56	S	A	-0.6385
57	Y	A	-0.6827
58	D	A	-1.6208
59	L	A	0.0000
60	T	A	-1.3540
61	G	A	-1.5211
62	L	A	0.0000
63	K	A	-3.0500
64	P	A	-2.5872
65	G	A	-1.8092
66	T	A	-1.8947
67	E	A	-2.1065
68	Y	A	0.0000
69	K	A	-1.1260
70	V	A	0.0000
71	W	A	1.0859
72	I	A	0.0000
73	H	A	-0.2956
74	G	A	0.0000
75	V	A	-1.3447
76	K	A	-1.8254
77	G	A	-1.4661
78	G	A	-1.1805
79	A	A	-0.6613
80	S	A	-0.4081
81	S	A	0.0000
82	P	A	0.2850
83	P	A	0.3292
84	L	A	0.8146
85	I	A	1.7830
86	A	A	0.3101
87	R	A	-1.5856
88	F	A	0.0000
89	T	A	-1.5995
90	T	A	-1.8907