Project name: query_structure

Chain sequence(s)	A: MIPRGLSEAKPATPEIQEIVDKVKPQLEEKTNETYGKLEAVQYKTQVLALSFNNYHWHSTNYYIKVRAGDNKYMHLKVFNGPKLRHDKLTHADRVLTGYQVDKNKDDELTGF
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                                          (00:02:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:11)

• Minimal score value: -4.0243
• Maximal score value: 1.7493
• Average score: -1.2298
• Total score value: -137.7335

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	1.6532
2	I	A	1.7493
3	P	A	0.2330
4	R	A	-1.1877
5	G	A	-1.1371
6	L	A	-0.9149
7	S	A	-1.2764
8	E	A	-2.1993
9	A	A	-1.8080
10	K	A	-1.6300
11	P	A	-1.0166
12	A	A	-0.9854
13	T	A	-1.2894
14	P	A	-1.7647
15	E	A	-2.8130
16	I	A	0.0000
17	Q	A	-2.6657
18	E	A	-3.6181
19	I	A	0.0000
20	V	A	0.0000
21	D	A	-3.5724
22	K	A	-3.2698
23	V	A	0.0000
24	K	A	-2.4292
25	P	A	-2.1840
26	Q	A	-2.0533
27	L	A	0.0000
28	E	A	-2.9913
29	E	A	-3.6487
30	K	A	-3.1056
31	T	A	-2.4915
32	N	A	-3.3686
33	E	A	-3.2389
34	T	A	-1.9692
35	Y	A	0.0000
36	G	A	-1.7867
37	K	A	-2.5981
38	L	A	0.0000
39	E	A	-2.0374
40	A	A	-1.5597
41	V	A	-0.6736
42	Q	A	-1.5582
43	Y	A	0.0000
44	K	A	-1.0379
45	T	A	-0.5812
46	Q	A	-0.4520
47	V	A	0.1496
48	L	A	0.1139
49	A	A	0.0878
50	L	A	0.9155
51	S	A	0.1983
52	F	A	0.6940
53	N	A	-1.0317
54	N	A	-1.1392
55	Y	A	0.2269
56	H	A	-0.5655
57	W	A	0.0325
58	H	A	-0.6149
59	S	A	0.0000
60	T	A	0.0000
61	N	A	-0.0379
62	Y	A	-0.0289
63	Y	A	0.0000
64	I	A	0.0000
65	K	A	0.0000
66	V	A	0.0000
67	R	A	-2.6822
68	A	A	-2.1815
69	G	A	-2.4501
70	D	A	-2.8547
71	N	A	-3.4888
72	K	A	-3.1387
73	Y	A	0.0000
74	M	A	0.0000
75	H	A	0.0000
76	L	A	0.0000
77	K	A	-0.0851
78	V	A	0.0000
79	F	A	-0.3934
80	N	A	-1.2306
81	G	A	-1.0504
82	P	A	-1.1904
83	K	A	-1.3264
84	L	A	-0.8709
85	R	A	-2.7161
86	H	A	-2.8718
87	D	A	-3.1378
88	K	A	-2.8987
89	L	A	-1.0590
90	T	A	-1.4810
91	H	A	-1.6824
92	A	A	-1.5732
93	D	A	-2.5857
94	R	A	-1.6606
95	V	A	-0.5564
96	L	A	0.0000
97	T	A	-0.0010
98	G	A	0.0796
99	Y	A	0.2404
100	Q	A	-0.3571
101	V	A	-0.6905
102	D	A	-2.3973
103	K	A	-3.1491
104	N	A	-3.7839
105	K	A	-4.0243
106	D	A	-3.7052
107	D	A	-3.4638
108	E	A	-3.1484
109	L	A	0.0000
110	T	A	-0.5857
111	G	A	-0.1593
112	F	A	0.8557