Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAFDGYWYDYVSFYRITYGESGGNSPVQEFTVPSSSSTATISGLKPGVDYTITVYAYSHSQQQYLSPNSINYRT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -2.9407
• Maximal score value: 1.6988
• Average score: -0.5311
• Total score value: -50.9829

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	1.6552
2	S	A	0.5699
3	S	A	0.3297
4	V	A	-0.1227
5	P	A	0.0000
6	T	A	-1.2281
7	K	A	-2.5304
8	L	A	0.0000
9	E	A	-1.4012
10	V	A	0.4280
11	V	A	1.6988
12	A	A	0.9729
13	A	A	0.3093
14	T	A	-0.5413
15	P	A	-1.1526
16	T	A	-1.0058
17	S	A	-0.5434
18	L	A	0.0000
19	L	A	0.8270
20	I	A	0.0000
21	S	A	-0.5900
22	W	A	0.0000
23	D	A	-2.6260
24	A	A	-1.2503
25	F	A	-0.3273
26	D	A	-1.1226
27	G	A	0.3894
28	Y	A	1.6139
29	W	A	1.6678
30	Y	A	1.2450
31	D	A	-0.3451
32	Y	A	0.0894
33	V	A	0.0000
34	S	A	-0.3781
35	F	A	0.2599
36	Y	A	0.0000
37	R	A	-0.3347
38	I	A	0.0000
39	T	A	0.0000
40	Y	A	-0.3003
41	G	A	0.0000
42	E	A	-1.8619
43	S	A	-1.8225
44	G	A	-1.4101
45	G	A	-1.5385
46	N	A	-1.5400
47	S	A	-0.8419
48	P	A	-0.3290
49	V	A	0.4206
50	Q	A	-0.8756
51	E	A	-1.6296
52	F	A	-0.6677
53	T	A	-0.2361
54	V	A	0.0000
55	P	A	-0.2663
56	S	A	-0.0017
57	S	A	-0.0946
58	S	A	-0.4248
59	S	A	-0.5666
60	T	A	-0.2191
61	A	A	0.0000
62	T	A	0.2386
63	I	A	0.0000
64	S	A	-0.6638
65	G	A	-1.0365
66	L	A	0.0000
67	K	A	-2.4925
68	P	A	-1.7798
69	G	A	-1.6339
70	V	A	-1.8735
71	D	A	-2.9407
72	Y	A	0.0000
73	T	A	-0.9080
74	I	A	0.0000
75	T	A	-0.3413
76	V	A	0.0000
77	Y	A	0.1830
78	A	A	0.0000
79	Y	A	-0.1386
80	S	A	0.0000
81	H	A	-1.9364
82	S	A	-1.5595
83	Q	A	-1.8771
84	Q	A	-2.2764
85	Q	A	-1.6709
86	Y	A	-0.1223
87	L	A	0.1441
88	S	A	-0.0982
89	P	A	-0.1782
90	N	A	-0.7047
91	S	A	-0.7568
92	I	A	-0.6664
93	N	A	-1.8369
94	Y	A	-1.6480
95	R	A	-2.9063
96	T	A	-1.8528