Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPNTQHGYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTTRPSISKPISINYRT
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -3.3079
• Maximal score value: 1.5291
• Average score: -0.7894
• Total score value: -71.8363

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	1.4265
2	S	A	0.0091
3	D	A	-0.4111
4	V	A	-0.8456
5	P	A	0.0000
6	R	A	-2.8667
7	D	A	-3.2622
8	L	A	0.0000
9	E	A	-2.0988
10	V	A	0.0839
11	V	A	1.5291
12	A	A	0.8847
13	A	A	0.2872
14	T	A	-0.5333
15	P	A	-1.1345
16	T	A	-1.0040
17	S	A	-0.5397
18	L	A	0.0000
19	L	A	0.7172
20	I	A	0.0000
21	S	A	-1.1148
22	W	A	0.0000
23	D	A	-3.3079
24	A	A	-2.2235
25	P	A	-1.4338
26	N	A	-1.8010
27	T	A	-1.4662
28	Q	A	-2.3495
29	H	A	-1.9778
30	G	A	-1.0230
31	Y	A	-0.2721
32	Y	A	0.0000
33	R	A	-0.3230
34	I	A	0.0000
35	T	A	-0.5380
36	Y	A	-0.3117
37	G	A	0.0000
38	E	A	-1.5893
39	T	A	-1.2954
40	G	A	-1.2539
41	G	A	-1.4117
42	N	A	-1.5309
43	S	A	-0.8345
44	P	A	-0.3188
45	V	A	0.4329
46	Q	A	-0.8658
47	E	A	-1.6493
48	F	A	-0.6767
49	T	A	-0.2113
50	V	A	0.0000
51	P	A	-0.9386
52	G	A	-1.3647
53	S	A	-1.5107
54	K	A	-2.1429
55	S	A	-1.5072
56	T	A	-0.7833
57	A	A	0.0000
58	T	A	0.2258
59	I	A	0.0000
60	S	A	-0.6603
61	G	A	-1.0297
62	L	A	0.0000
63	K	A	-2.3971
64	P	A	-1.6957
65	G	A	-1.4934
66	V	A	-1.4900
67	D	A	-2.2568
68	Y	A	0.0000
69	T	A	-0.8148
70	I	A	0.0000
71	T	A	-0.1794
72	V	A	0.0000
73	Y	A	0.1399
74	A	A	0.0000
75	V	A	0.0956
76	T	A	-0.6161
77	T	A	-0.9830
78	R	A	-1.4360
79	P	A	-0.5989
80	S	A	-0.2558
81	I	A	0.8254
82	S	A	-0.2392
83	K	A	-1.3320
84	P	A	-0.6376
85	I	A	-0.6029
86	S	A	-0.7150
87	I	A	-0.7363
88	N	A	-1.7674
89	Y	A	-1.5341
90	R	A	-2.6140
91	T	A	-1.6849