Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYYSYYNIFFADSPSSINYRT
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.6313
• Maximal score value: 3.4386
• Average score: -0.2116
• Total score value: -20.5214

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	G	A	-0.4371
2	S	A	-0.1536
3	S	A	0.3525
4	V	A	1.4538
5	S	A	0.5246
6	S	A	0.0599
7	V	A	-0.4132
8	P	A	0.0000
9	T	A	-1.3583
10	K	A	-2.6313
11	L	A	0.0000
12	E	A	-1.5850
13	V	A	0.2776
14	V	A	1.6252
15	A	A	0.9302
16	A	A	0.2938
17	T	A	-0.3826
18	P	A	-0.8161
19	T	A	-0.5334
20	S	A	-0.3137
21	L	A	0.0000
22	L	A	0.7711
23	I	A	0.0000
24	S	A	-0.6647
25	W	A	0.0000
26	D	A	-2.5446
27	A	A	-1.2574
28	S	A	-0.9617
29	S	A	-0.6065
30	S	A	-0.4275
31	S	A	-0.2508
32	V	A	0.0000
33	S	A	0.3607
34	Y	A	0.1117
35	Y	A	0.0000
36	R	A	-0.4591
37	I	A	0.0000
38	T	A	0.0000
39	Y	A	-0.3737
40	G	A	0.0000
41	E	A	-1.2376
42	T	A	-1.2051
43	G	A	-1.3061
44	G	A	-1.1795
45	N	A	-1.5991
46	S	A	-0.7897
47	P	A	-0.3096
48	V	A	0.3529
49	Q	A	-1.1164
50	E	A	-1.7776
51	F	A	-0.6650
52	T	A	-0.1926
53	V	A	0.0636
54	P	A	-0.2263
55	G	A	-0.2409
56	S	A	-0.3549
57	S	A	-0.3979
58	S	A	-0.6033
59	T	A	-0.2116
60	A	A	0.0000
61	T	A	0.2453
62	I	A	0.0000
63	S	A	-0.4714
64	G	A	-0.6778
65	L	A	0.0000
66	S	A	-0.8101
67	P	A	-1.0154
68	G	A	-1.1318
69	V	A	-0.9541
70	D	A	-1.7580
71	Y	A	0.0000
72	T	A	-0.7162
73	I	A	0.0000
74	T	A	-0.4552
75	V	A	0.0000
76	Y	A	0.0757
77	A	A	0.0000
78	Y	A	1.1497
79	Y	A	0.0000
80	S	A	1.8531
81	Y	A	2.0909
82	Y	A	1.8883
83	N	A	1.0358
84	I	A	3.1825
85	F	A	3.4386
86	F	A	2.4715
87	A	A	0.8744
88	D	A	0.0215
89	S	A	-0.2598
90	P	A	-0.3132
91	S	A	0.0000
92	S	A	-0.6360
93	I	A	-0.7278
94	N	A	-1.6344
95	Y	A	-1.3528
96	R	A	-2.3212
97	T	A	-1.2076