Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAYYDEVMYYRITYGETGGNSPVQEFTVPGSSSTATISGLKPGVDYTITVYAYWGEWYFSPISINYRT
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:40)

• Minimal score value: -2.5181
• Maximal score value: 1.9703
• Average score: -0.3486
• Total score value: -31.3697

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	1.6767
2	S	A	0.6074
3	S	A	0.6426
4	V	A	0.3824
5	P	A	0.0000
6	T	A	-1.2784
7	K	A	-2.5137
8	L	A	0.0000
9	E	A	-1.4491
10	V	A	0.3286
11	V	A	1.6564
12	A	A	0.9508
13	A	A	0.3043
14	T	A	-0.5240
15	P	A	-1.1300
16	T	A	-0.9963
17	S	A	-0.5290
18	L	A	0.0000
19	L	A	0.8067
20	I	A	0.0000
21	S	A	-0.6328
22	W	A	0.0000
23	D	A	-2.0358
24	A	A	-0.7879
25	Y	A	0.5350
26	Y	A	-0.2461
27	D	A	-1.8002
28	E	A	-1.5836
29	V	A	0.0000
30	M	A	0.7826
31	Y	A	0.8546
32	Y	A	0.0000
33	R	A	-0.2962
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.3649
37	G	A	0.0000
38	E	A	-1.5397
39	T	A	-1.2324
40	G	A	-1.2279
41	G	A	-1.3860
42	N	A	-1.5223
43	S	A	-0.8364
44	P	A	-0.3423
45	V	A	0.3773
46	Q	A	-0.9819
47	E	A	-1.6972
48	F	A	-0.6695
49	T	A	-0.1814
50	V	A	0.2325
51	P	A	0.1112
52	G	A	-0.0738
53	S	A	-0.4870
54	S	A	-0.2630
55	S	A	-0.4543
56	T	A	-0.1990
57	A	A	0.0000
58	T	A	0.3040
59	I	A	0.0000
60	S	A	-0.6582
61	G	A	-1.0297
62	L	A	0.0000
63	K	A	-2.3672
64	P	A	-1.6641
65	G	A	-1.4473
66	V	A	-1.4033
67	D	A	-2.0781
68	Y	A	0.0000
69	T	A	-0.7642
70	I	A	0.0000
71	T	A	-0.1708
72	V	A	0.0000
73	Y	A	0.5723
74	A	A	0.0000
75	Y	A	1.1443
76	W	A	0.8552
77	G	A	-0.0032
78	E	A	-0.7406
79	W	A	1.2992
80	Y	A	1.9703
81	F	A	1.3538
82	S	A	0.3357
83	P	A	0.2812
84	I	A	0.0272
85	S	A	-0.4903
86	I	A	-0.6200
87	N	A	-1.6543
88	Y	A	-1.3879
89	R	A	-2.5181
90	T	A	-1.5026