Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSLRLSWTWPYADLDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVHNVYKDTNMRGLPLSAEFTT
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -3.0598
• Maximal score value: 1.2505
• Average score: -0.9729
• Total score value: -91.4559

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	0.8423
2	P	A	0.3365
3	A	A	-0.0342
4	P	A	0.0000
5	K	A	-2.0685
6	N	A	-1.3879
7	L	A	-0.1553
8	V	A	0.9340
9	V	A	0.1118
10	S	A	-0.6198
11	E	A	-1.7824
12	V	A	-0.9060
13	T	A	-1.7802
14	E	A	-2.9099
15	D	A	-2.9429
16	S	A	-2.1714
17	L	A	0.0000
18	R	A	-1.4484
19	L	A	0.0000
20	S	A	-0.5048
21	W	A	0.0000
22	T	A	-1.0279
23	W	A	0.0000
24	P	A	-0.2517
25	Y	A	0.5128
26	A	A	-0.5474
27	D	A	-1.8825
28	L	A	0.0000
29	D	A	-2.3676
30	S	A	-1.7925
31	F	A	0.0000
32	L	A	-0.4582
33	I	A	0.0000
34	Q	A	-0.5807
35	Y	A	-0.6243
36	Q	A	-1.4489
37	E	A	-2.0901
38	S	A	-2.0161
39	E	A	-2.4809
40	K	A	-1.8040
41	V	A	0.0405
42	G	A	-0.9029
43	E	A	-2.0450
44	A	A	-0.9241
45	I	A	-0.4028
46	N	A	-1.0095
47	L	A	-0.1320
48	T	A	-0.2523
49	V	A	0.0000
50	P	A	-1.0729
51	G	A	-1.4521
52	S	A	-1.4254
53	E	A	-1.4642
54	R	A	-1.1638
55	S	A	-0.8257
56	Y	A	-0.9017
57	D	A	-1.7576
58	L	A	0.0000
59	T	A	-1.4565
60	G	A	-1.5608
61	L	A	0.0000
62	K	A	-3.0598
63	P	A	-2.6028
64	G	A	-1.8767
65	T	A	-2.2070
66	E	A	-2.6737
67	Y	A	0.0000
68	T	A	-1.4413
69	V	A	0.0000
70	S	A	0.0000
71	I	A	0.0000
72	Y	A	0.0000
73	G	A	0.0000
74	V	A	0.0000
75	H	A	-1.9146
76	N	A	-2.5088
77	V	A	-0.9633
78	Y	A	-0.3056
79	K	A	-2.2674
80	D	A	-2.7726
81	T	A	-2.0760
82	N	A	-2.6455
83	M	A	-1.4793
84	R	A	-1.6384
85	G	A	0.0846
86	L	A	1.2505
87	P	A	0.3196
88	L	A	-0.0163
89	S	A	-0.3210
90	A	A	-0.5823
91	E	A	-2.1422
92	F	A	0.0000
93	T	A	-1.6313
94	T	A	-1.9288