Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDPPRCRRARYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTSMPRLGIPRKSISINYRT
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -3.5804
• Maximal score value: 1.5082
• Average score: -0.8501
• Total score value: -80.7639

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	V	A	1.3051
2	S	A	-0.0417
3	D	A	-1.2869
4	V	A	-0.9295
5	P	A	0.0000
6	R	A	-2.4430
7	D	A	-2.8671
8	L	A	0.0000
9	E	A	-1.9662
10	V	A	0.0612
11	V	A	1.5082
12	A	A	0.8693
13	A	A	0.2900
14	T	A	-0.5522
15	P	A	-1.1596
16	T	A	-1.0075
17	S	A	-0.5512
18	L	A	0.0000
19	L	A	0.6981
20	I	A	0.0000
21	S	A	-0.9069
22	W	A	0.0000
23	D	A	-2.4865
24	P	A	-2.2877
25	P	A	0.0000
26	R	A	-2.5987
27	C	A	-2.1020
28	R	A	-3.5804
29	R	A	-3.4217
30	A	A	-2.3548
31	R	A	-2.3996
32	Y	A	-1.0922
33	Y	A	0.0000
34	R	A	-0.6047
35	I	A	0.0000
36	T	A	0.0000
37	Y	A	-0.2337
38	G	A	0.0000
39	E	A	-1.4483
40	T	A	-1.1836
41	G	A	-1.2091
42	G	A	-1.3067
43	N	A	-1.5160
44	S	A	-0.8282
45	P	A	-0.2992
46	V	A	0.4791
47	Q	A	-0.7734
48	E	A	-1.6345
49	F	A	-0.7175
50	T	A	-0.2891
51	V	A	0.0000
52	P	A	-1.0815
53	G	A	0.0000
54	S	A	-1.5876
55	K	A	-1.9377
56	S	A	-1.2695
57	T	A	-0.6727
58	A	A	0.0000
59	T	A	0.2751
60	I	A	0.0000
61	S	A	-0.6680
62	G	A	-1.0348
63	L	A	0.0000
64	K	A	-2.3604
65	P	A	-1.6547
66	G	A	-1.4185
67	V	A	-1.3821
68	D	A	-2.0039
69	Y	A	0.0000
70	T	A	-0.7065
71	I	A	0.0000
72	T	A	-0.1561
73	V	A	0.0000
74	Y	A	-0.4190
75	A	A	0.0000
76	V	A	-1.0159
77	T	A	-1.5715
78	S	A	-1.1580
79	M	A	-0.6840
80	P	A	-0.8398
81	R	A	-1.2249
82	L	A	0.4744
83	G	A	-0.2698
84	I	A	-0.0645
85	P	A	-0.9400
86	R	A	-2.0996
87	K	A	-1.4420
88	S	A	-0.8387
89	I	A	-0.2852
90	S	A	-0.2616
91	I	A	-0.4932
92	N	A	-1.6893
93	Y	A	-1.4067
94	R	A	-2.4964
95	T	A	-1.5109