Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWDIDEQRDWFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVYHVYRSSNPLSAIFTT
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -4.1076
• Maximal score value: 1.9081
• Average score: -0.8118
• Total score value: -74.6847

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	0.5748
2	P	A	-0.5185
3	A	A	-0.9516
4	P	A	0.0000
5	K	A	-2.4153
6	N	A	-2.0183
7	L	A	-0.6166
8	V	A	0.5024
9	V	A	0.4374
10	S	A	-0.6931
11	R	A	-1.9487
12	V	A	-0.9222
13	T	A	-1.7087
14	E	A	-2.9296
15	D	A	-2.5297
16	S	A	-1.9033
17	A	A	0.0000
18	R	A	-1.1660
19	L	A	0.0000
20	S	A	-0.7615
21	W	A	0.0000
22	D	A	-2.6853
23	I	A	-3.0562
24	D	A	-3.7996
25	E	A	-4.1076
26	Q	A	-3.5958
27	R	A	-3.9736
28	D	A	-3.7292
29	W	A	-1.9581
30	F	A	0.0000
31	D	A	-1.9457
32	S	A	-1.0647
33	F	A	0.0000
34	L	A	0.7965
35	I	A	0.0000
36	Q	A	0.6350
37	Y	A	0.4721
38	Q	A	-0.6437
39	E	A	-1.5914
40	S	A	-1.3198
41	E	A	-2.4117
42	K	A	-1.7401
43	V	A	0.0791
44	G	A	-0.8979
45	E	A	-1.7166
46	A	A	-0.2258
47	I	A	0.9885
48	V	A	1.9081
49	L	A	1.3260
50	T	A	0.5271
51	V	A	0.0000
52	P	A	-1.1041
53	G	A	0.0000
54	S	A	-1.5987
55	E	A	-1.7249
56	R	A	-1.3031
57	S	A	-0.8556
58	Y	A	-0.6367
59	D	A	-1.3536
60	L	A	0.0000
61	T	A	-1.3097
62	G	A	-1.4330
63	L	A	0.0000
64	K	A	-2.8797
65	P	A	-2.4130
66	G	A	-1.7267
67	T	A	-2.0115
68	E	A	-1.5052
69	Y	A	0.0000
70	T	A	0.1392
71	V	A	0.0000
72	S	A	0.2911
73	I	A	0.0000
74	Y	A	-0.0182
75	G	A	0.0000
76	V	A	0.0199
77	Y	A	-0.2329
78	H	A	-0.2082
79	V	A	1.5384
80	Y	A	1.3157
81	R	A	-0.2350
82	S	A	-0.2217
83	S	A	0.0000
84	N	A	-1.0926
85	P	A	-0.7637
86	L	A	-0.6093
87	S	A	0.0395
88	A	A	1.0729
89	I	A	1.8379
90	F	A	0.0000
91	T	A	-0.6387
92	T	A	-1.7646