Project name: query_structure

Chain sequence(s)	A: MIPRGLSEAKPATPEIQEIVDKVKPQLEEKTNETYGKLEAVQYKTQVLASTNYYIKVRAGDNKYMHLKVFNGPPGQNADRVLTGYQVDKNKDDELTGF
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:39)

• Minimal score value: -4.2182
• Maximal score value: 1.8262
• Average score: -1.1975
• Total score value: -117.3569

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	1.6982
2	I	A	1.8262
3	P	A	0.3137
4	R	A	-0.9495
5	G	A	-0.9833
6	L	A	-0.6646
7	S	A	-1.0437
8	E	A	-2.1288
9	A	A	-1.7028
10	K	A	-1.5477
11	P	A	-0.9281
12	A	A	-0.9208
13	T	A	-1.2832
14	P	A	-1.7916
15	E	A	-2.8985
16	I	A	0.0000
17	Q	A	-2.8413
18	E	A	-3.9038
19	I	A	0.0000
20	V	A	0.0000
21	D	A	-4.0288
22	K	A	-3.3222
23	V	A	0.0000
24	K	A	-2.5375
25	P	A	-2.1315
26	Q	A	-2.0322
27	L	A	0.0000
28	E	A	-3.0369
29	E	A	-3.7059
30	K	A	-3.2039
31	T	A	-2.5232
32	N	A	-3.3783
33	E	A	-3.2823
34	T	A	-1.9764
35	Y	A	0.0000
36	G	A	-1.6989
37	K	A	-2.6992
38	L	A	0.0000
39	E	A	-2.3313
40	A	A	-1.6307
41	V	A	-0.6195
42	Q	A	-1.3664
43	Y	A	0.0000
44	K	A	0.0000
45	T	A	-0.1182
46	Q	A	0.2661
47	V	A	1.6733
48	L	A	1.3049
49	A	A	0.7851
50	S	A	0.7562
51	T	A	0.8056
52	N	A	0.5526
53	Y	A	0.2261
54	Y	A	0.0000
55	I	A	0.0000
56	K	A	0.0000
57	V	A	0.0000
58	R	A	-2.8025
59	A	A	-2.2194
60	G	A	-2.4962
61	D	A	-2.9095
62	N	A	-3.7105
63	K	A	-3.4126
64	Y	A	0.0000
65	M	A	0.0000
66	H	A	0.0000
67	L	A	0.0000
68	K	A	0.0380
69	V	A	0.0000
70	F	A	0.1862
71	N	A	-0.5160
72	G	A	-0.9986
73	P	A	-0.8540
74	P	A	-1.0600
75	G	A	-1.4767
76	Q	A	-2.4226
77	N	A	-2.6746
78	A	A	-2.1363
79	D	A	-2.6280
80	R	A	-1.5834
81	V	A	-0.2385
82	L	A	0.0000
83	T	A	0.1602
84	G	A	0.1222
85	Y	A	0.2295
86	Q	A	-0.3032
87	V	A	-0.5126
88	D	A	-2.3710
89	K	A	-3.2410
90	N	A	-4.2122
91	K	A	-4.2182
92	D	A	-3.7650
93	D	A	-3.4291
94	E	A	-3.0898
95	L	A	0.0000
96	T	A	-0.5369
97	G	A	-0.1415
98	F	A	0.8699