Project name: query_structure

Chain sequence(s)	A: MIPGGLTEAKPATIEIQEIANMVKPQLEEKTNETYEEFTAIEYKSQVVAGINYYIKIQTGDNRYIHIKVFKSLPQQSHSLILTGYQVDKTKDDELAGF
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -3.8254
• Maximal score value: 2.4481
• Average score: -0.7442
• Total score value: -72.9346

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	M	A	2.0441
2	I	A	2.4481
3	P	A	1.2920
4	G	A	0.7741
5	G	A	0.6784
6	L	A	0.2702
7	T	A	-0.3675
8	E	A	-2.0588
9	A	A	-1.7763
10	K	A	-1.6545
11	P	A	-0.6075
12	A	A	-0.4585
13	T	A	-0.0893
14	I	A	0.6873
15	E	A	-1.4002
16	I	A	0.0000
17	Q	A	-0.6908
18	E	A	-1.4204
19	I	A	0.0000
20	A	A	0.0000
21	N	A	-0.9247
22	M	A	0.3777
23	V	A	0.0000
24	K	A	-1.1314
25	P	A	-1.4929
26	Q	A	-1.6389
27	L	A	0.0000
28	E	A	-3.0616
29	E	A	-3.8254
30	K	A	-3.4528
31	T	A	-2.6241
32	N	A	-3.3687
33	E	A	-3.2873
34	T	A	-2.1887
35	Y	A	0.0000
36	E	A	-2.6006
37	E	A	-2.5549
38	F	A	0.0000
39	T	A	-0.7995
40	A	A	0.0000
41	I	A	-0.1513
42	E	A	-1.1775
43	Y	A	0.0000
44	K	A	-1.0493
45	S	A	-0.0390
46	Q	A	1.1016
47	V	A	2.0355
48	V	A	1.5695
49	A	A	0.9051
50	G	A	0.0000
51	I	A	1.2187
52	N	A	0.6627
53	Y	A	0.2003
54	Y	A	0.0000
55	I	A	0.0000
56	K	A	0.0000
57	I	A	0.0000
58	Q	A	-1.8310
59	T	A	0.0000
60	G	A	-2.5781
61	D	A	-3.0923
62	N	A	-3.7235
63	R	A	-3.6202
64	Y	A	0.0000
65	I	A	0.0000
66	H	A	0.0000
67	I	A	0.0000
68	K	A	0.0546
69	V	A	0.0000
70	F	A	0.8360
71	K	A	0.0319
72	S	A	-0.4298
73	L	A	-0.5409
74	P	A	-1.3327
75	Q	A	-1.7880
76	Q	A	-1.7464
77	S	A	-1.3617
78	H	A	-1.5318
79	S	A	-0.5220
80	L	A	0.5185
81	I	A	0.8967
82	L	A	0.0000
83	T	A	0.3447
84	G	A	0.1341
85	Y	A	0.2423
86	Q	A	-0.2629
87	V	A	-0.4293
88	D	A	-2.2293
89	K	A	-2.7342
90	T	A	-3.3507
91	K	A	-3.6106
92	D	A	-3.5833
93	D	A	-3.2246
94	E	A	-3.0310
95	L	A	0.0000
96	A	A	-0.6429
97	G	A	-0.0786
98	F	A	0.9095