Project name: query_structure

Chain sequence(s)	A: GSSVPTNLEVVAATPTSLLISWDAYYSYYSYSVSYYRITYGETGGNSPVQEFTVPYYYSTATISGLKPGVDYTITVYAYSSYSSSSYSPISINYRT
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: -2.5068
• Maximal score value: 2.51
• Average score: -0.0542
• Total score value: -5.2041

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	-0.0898
2	S	A	-0.0127
3	S	A	0.0000
4	V	A	0.3195
5	P	A	0.0000
6	T	A	-1.0181
7	N	A	-1.9911
8	L	A	0.0000
9	E	A	-1.7275
10	V	A	0.1457
11	V	A	1.5428
12	A	A	0.9085
13	A	A	0.3050
14	T	A	-0.3349
15	P	A	-1.1092
16	T	A	-0.9880
17	S	A	-0.5130
18	L	A	0.0000
19	L	A	0.7749
20	I	A	0.0000
21	S	A	-0.4339
22	W	A	0.0000
23	D	A	-1.1650
24	A	A	0.6890
25	Y	A	1.5016
26	Y	A	2.5015
27	S	A	1.9500
28	Y	A	2.5100
29	Y	A	2.2551
30	S	A	1.5978
31	Y	A	2.0764
32	S	A	1.5393
33	V	A	0.0000
34	S	A	0.9472
35	Y	A	1.1097
36	Y	A	0.0000
37	R	A	-0.3567
38	I	A	0.0000
39	T	A	0.0000
40	Y	A	-0.3322
41	G	A	0.0000
42	E	A	-1.5755
43	T	A	-1.2538
44	G	A	-1.2399
45	G	A	-1.4299
46	N	A	-1.5586
47	S	A	-0.8720
48	P	A	-0.3329
49	V	A	0.4395
50	Q	A	-0.8654
51	E	A	-1.6454
52	F	A	-0.6373
53	T	A	0.0774
54	V	A	0.8985
55	P	A	1.2276
56	Y	A	2.1388
57	Y	A	2.4110
58	Y	A	1.8462
59	S	A	0.7836
60	T	A	0.3817
61	A	A	0.0000
62	T	A	0.3186
63	I	A	0.0000
64	S	A	-0.6484
65	G	A	-1.0261
66	L	A	0.0000
67	K	A	-2.3703
68	P	A	-1.6632
69	G	A	-1.4529
70	V	A	-1.4161
71	D	A	-2.0660
72	Y	A	0.0000
73	T	A	-0.7771
74	I	A	0.0000
75	T	A	-0.3467
76	V	A	0.0000
77	Y	A	0.1365
78	A	A	0.0000
79	Y	A	0.5658
80	S	A	0.0000
81	S	A	0.6226
82	Y	A	1.3716
83	S	A	0.5757
84	S	A	-0.0503
85	S	A	-0.1140
86	S	A	-0.0447
87	Y	A	0.1568
88	S	A	-0.0705
89	P	A	-0.0468
90	I	A	0.1210
91	S	A	-0.5037
92	I	A	-0.6861
93	N	A	-1.7286
94	Y	A	-1.4549
95	R	A	-2.5068
96	T	A	-1.4950