Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWAKRPGAFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVDVKYDIDSRPISSNPLSAIFTT
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -2.9898
• Maximal score value: 1.8094
• Average score: -0.6989
• Total score value: -67.0984

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	0.8845
2	P	A	-0.3911
3	A	A	-0.8076
4	P	A	0.0000
5	K	A	-2.4062
6	N	A	-1.5836
7	L	A	-0.2585
8	V	A	1.1488
9	V	A	0.6776
10	S	A	-0.5960
11	R	A	-1.9984
12	V	A	-1.0182
13	T	A	-1.7625
14	E	A	-2.9898
15	D	A	-2.6517
16	S	A	-2.0274
17	A	A	0.0000
18	R	A	-1.1606
19	L	A	0.0000
20	S	A	-0.4101
21	W	A	0.0000
22	A	A	-1.5886
23	K	A	-2.1653
24	R	A	-2.4416
25	P	A	-1.4586
26	G	A	-1.5207
27	A	A	-1.2242
28	F	A	0.0000
29	D	A	-1.8556
30	S	A	-0.8604
31	F	A	0.0000
32	L	A	0.7193
33	I	A	0.0000
34	Q	A	0.5452
35	Y	A	0.3645
36	Q	A	-0.9321
37	E	A	-2.0567
38	S	A	-1.5987
39	E	A	-2.7705
40	K	A	-2.4306
41	V	A	-0.1213
42	G	A	-1.0930
43	E	A	-1.5321
44	A	A	-0.3268
45	I	A	0.8861
46	V	A	1.6940
47	L	A	1.2833
48	T	A	0.4883
49	V	A	0.0000
50	P	A	-1.1274
51	G	A	0.0000
52	S	A	-1.4395
53	E	A	-1.6958
54	R	A	-1.1714
55	S	A	-0.7353
56	Y	A	-0.7600
57	D	A	-1.6249
58	L	A	0.0000
59	T	A	-1.3320
60	G	A	-1.4769
61	L	A	0.0000
62	K	A	-2.9730
63	P	A	-2.4723
64	G	A	-1.7883
65	T	A	-2.2127
66	E	A	-1.9578
67	Y	A	0.0000
68	T	A	-0.0220
69	V	A	0.0000
70	S	A	0.2504
71	I	A	0.0000
72	Y	A	0.0645
73	G	A	0.0000
74	V	A	-0.1466
75	D	A	-0.3648
76	V	A	0.3941
77	K	A	-0.6781
78	Y	A	0.0599
79	D	A	-0.2556
80	I	A	0.7382
81	D	A	-1.3207
82	S	A	-1.0088
83	R	A	-1.8546
84	P	A	-0.6358
85	I	A	0.1155
86	S	A	-0.1076
87	S	A	0.0000
88	N	A	-1.0804
89	P	A	-0.8631
90	L	A	-0.7019
91	S	A	0.0807
92	A	A	1.1891
93	I	A	1.8094
94	F	A	0.0000
95	T	A	-0.7745
96	T	A	-1.8715