Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDAYVGYGSSVAYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYYYEGDDLYSSMSPSSINYRT
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                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -2.8297
• Maximal score value: 1.8155
• Average score: -0.3225
• Total score value: -32.5739

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	-0.6194
2	S	A	-0.7159
3	S	A	-0.0856
4	V	A	0.7927
5	S	A	-0.0999
6	S	A	0.1181
7	V	A	0.1500
8	P	A	-0.6566
9	T	A	-1.2751
10	K	A	-2.2848
11	L	A	0.0000
12	E	A	-1.7174
13	V	A	-0.0095
14	V	A	1.5521
15	A	A	0.9113
16	A	A	0.3062
17	T	A	-0.1902
18	P	A	-0.8074
19	T	A	-0.5357
20	S	A	-0.3008
21	L	A	0.0000
22	L	A	0.7846
23	I	A	0.0000
24	S	A	-0.6826
25	W	A	0.0000
26	D	A	-1.7880
27	A	A	-0.3155
28	Y	A	0.7905
29	V	A	1.8155
30	G	A	1.2844
31	Y	A	1.3346
32	G	A	0.3259
33	S	A	0.3551
34	S	A	0.3629
35	V	A	0.7740
36	A	A	0.6391
37	Y	A	0.3270
38	Y	A	0.0000
39	R	A	-0.6528
40	I	A	0.0000
41	T	A	0.0000
42	Y	A	-0.1618
43	G	A	0.0000
44	E	A	-1.2082
45	T	A	-1.2281
46	G	A	-1.2936
47	G	A	-1.1790
48	N	A	-1.5965
49	S	A	-0.7221
50	P	A	-0.1487
51	V	A	0.6638
52	Q	A	-0.5027
53	E	A	-1.3109
54	F	A	-0.4973
55	T	A	-0.2331
56	V	A	0.0010
57	P	A	-0.2173
58	G	A	-0.1201
59	S	A	-0.2774
60	S	A	-0.3344
61	S	A	-0.4714
62	T	A	-0.1772
63	A	A	0.0000
64	T	A	0.2721
65	I	A	0.0000
66	S	A	-0.4685
67	G	A	-0.6824
68	L	A	0.0000
69	S	A	-0.8252
70	P	A	-1.0093
71	G	A	-1.1492
72	V	A	-0.9587
73	D	A	-1.7967
74	Y	A	0.0000
75	T	A	-0.8305
76	I	A	0.0000
77	T	A	-0.4402
78	V	A	0.0000
79	Y	A	0.1741
80	A	A	0.0000
81	Y	A	0.7846
82	Y	A	0.0000
83	Y	A	-0.0759
84	E	A	-1.8953
85	G	A	-2.1834
86	D	A	-2.8297
87	D	A	-2.5027
88	L	A	-0.1972
89	Y	A	0.5369
90	S	A	0.9342
91	S	A	0.0000
92	M	A	1.0790
93	S	A	0.3784
94	P	A	0.1778
95	S	A	0.0000
96	S	A	-0.5218
97	I	A	0.0000
98	N	A	-1.7860
99	Y	A	-1.8554
100	R	A	-2.5176
101	T	A	-1.2571