Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWALSSVHAYFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVQYVDGFFKSNPLSAIFTT
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)

• Minimal score value: -2.9866
• Maximal score value: 2.4172
• Average score: -0.3458
• Total score value: -32.5011

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	0.5148
2	P	A	-0.3067
3	A	A	-0.9360
4	P	A	0.0000
5	K	A	-1.9980
6	N	A	-1.4866
7	L	A	-0.1583
8	V	A	1.2648
9	V	A	0.7482
10	S	A	-0.5593
11	R	A	-1.9784
12	V	A	-0.9566
13	T	A	-1.7434
14	E	A	-2.9842
15	D	A	-2.6315
16	S	A	-1.9947
17	A	A	0.0000
18	R	A	-1.1266
19	L	A	0.0000
20	S	A	-0.3294
21	W	A	0.0000
22	A	A	-0.6816
23	L	A	-0.1120
24	S	A	-0.3093
25	S	A	0.3542
26	V	A	1.4633
27	H	A	0.1934
28	A	A	0.7980
29	Y	A	1.2417
30	F	A	0.0000
31	D	A	0.2269
32	S	A	-0.2923
33	F	A	0.0000
34	L	A	0.4991
35	I	A	0.0000
36	Q	A	0.6407
37	Y	A	0.4900
38	Q	A	-0.7476
39	E	A	-1.8117
40	S	A	-1.5493
41	E	A	-2.4407
42	K	A	-2.0176
43	V	A	-0.0175
44	G	A	-0.9513
45	E	A	-1.5754
46	A	A	-0.2146
47	I	A	1.0735
48	V	A	2.0292
49	L	A	1.3984
50	T	A	0.4736
51	V	A	0.0000
52	P	A	-0.7427
53	G	A	-0.5081
54	S	A	-0.6868
55	E	A	-1.0516
56	R	A	-0.8809
57	S	A	-0.5628
58	Y	A	-0.6253
59	D	A	-1.5565
60	L	A	0.0000
61	T	A	-1.3897
62	G	A	-1.4628
63	L	A	0.0000
64	K	A	-2.9866
65	P	A	-2.5323
66	G	A	-1.8574
67	T	A	-2.2507
68	E	A	-1.9972
69	Y	A	0.0000
70	T	A	0.0276
71	V	A	0.0000
72	S	A	0.0000
73	I	A	0.0000
74	Y	A	-0.2622
75	G	A	0.0000
76	V	A	0.0000
77	Q	A	1.5046
78	Y	A	2.1343
79	V	A	1.8635
80	D	A	-0.2817
81	G	A	0.8108
82	F	A	2.4172
83	F	A	1.7947
84	K	A	-0.0842
85	S	A	0.0000
86	N	A	-1.3801
87	P	A	-0.9995
88	L	A	-0.7463
89	S	A	0.0395
90	A	A	1.1921
91	I	A	1.8082
92	F	A	0.0000
93	T	A	-0.8341
94	T	A	-1.9133