Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSLRLSWGYNGDHFDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVHNVYKDTNMRGLPLSAEFTT
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                                          (00:00:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -3.0298
• Maximal score value: 1.2496
• Average score: -1.0638
• Total score value: -100.0017

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	L	A	0.3473
2	P	A	-0.2346
3	A	A	-0.1357
4	P	A	0.0000
5	K	A	-1.9966
6	N	A	-1.4414
7	L	A	-0.1688
8	V	A	0.7936
9	V	A	-0.0007
10	S	A	-0.6827
11	E	A	-1.9990
12	V	A	-0.9482
13	T	A	-1.7683
14	E	A	-3.0298
15	D	A	-2.8345
16	S	A	-2.1482
17	L	A	0.0000
18	R	A	-1.5081
19	L	A	0.0000
20	S	A	-0.5264
21	W	A	0.0000
22	G	A	-1.2943
23	Y	A	-1.5084
24	N	A	-1.9805
25	G	A	-1.6349
26	D	A	-1.8807
27	H	A	-2.1212
28	F	A	0.0000
29	D	A	-2.7064
30	S	A	-1.8657
31	F	A	0.0000
32	L	A	-0.3246
33	I	A	0.0000
34	Q	A	-0.5931
35	Y	A	-0.6846
36	Q	A	-1.5327
37	E	A	-2.0516
38	S	A	-1.9882
39	E	A	-2.5050
40	K	A	-1.9029
41	V	A	0.0236
42	G	A	-0.9478
43	E	A	-2.1074
44	A	A	-1.0276
45	I	A	-0.5021
46	N	A	-1.0555
47	L	A	-0.1335
48	T	A	-0.2112
49	V	A	0.0000
50	P	A	-1.1566
51	G	A	-1.6827
52	S	A	-1.4478
53	E	A	-1.4688
54	R	A	-1.0041
55	S	A	-0.8092
56	Y	A	-0.8965
57	D	A	-1.8193
58	L	A	0.0000
59	T	A	-1.4516
60	G	A	-1.5307
61	L	A	0.0000
62	K	A	-2.9499
63	P	A	-2.4981
64	G	A	-1.7894
65	T	A	-2.0713
66	E	A	-2.4072
67	Y	A	0.0000
68	T	A	-1.4027
69	V	A	0.0000
70	S	A	-0.2751
71	I	A	0.0000
72	Y	A	0.0000
73	G	A	0.0000
74	V	A	-1.3526
75	H	A	-1.8293
76	N	A	-2.3362
77	V	A	-0.4823
78	Y	A	-0.0565
79	K	A	-2.1343
80	D	A	-2.6633
81	T	A	-1.8916
82	N	A	-2.4722
83	M	A	-1.1874
84	R	A	-1.4799
85	G	A	0.0000
86	L	A	1.2496
87	P	A	0.3870
88	L	A	0.0397
89	S	A	-0.2640
90	A	A	-0.5839
91	E	A	-2.0894
92	F	A	0.0000
93	T	A	-1.5014
94	T	A	-1.8743