Project name: query_structure

Chain sequence(s)	A: MIPRGLSEAKPATPEIQEIVDKVKPQLEEKTNETYGKLEAVQYKTQVLAHRQYPPGPHSTNYYIKVRAGDNKYMHLKVFNGPYHFHHYYKHADRVLTGYQVDKNKDDELTGF
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                                          (00:01:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)

• Minimal score value: -4.2485
• Maximal score value: 1.8134
• Average score: -1.1284
• Total score value: -126.3807

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	1.7038
2	I	A	1.8134
3	P	A	0.1829
4	R	A	-1.2587
5	G	A	-1.1114
6	L	A	-0.8071
7	S	A	-1.2176
8	E	A	-2.1231
9	A	A	-1.6836
10	K	A	-1.5424
11	P	A	-0.9163
12	A	A	-0.9041
13	T	A	-1.2697
14	P	A	-1.7372
15	E	A	-2.8345
16	I	A	0.0000
17	Q	A	-2.5988
18	E	A	-3.6103
19	I	A	0.0000
20	V	A	0.0000
21	D	A	-3.4490
22	K	A	-2.6367
23	V	A	0.0000
24	K	A	-2.1992
25	P	A	-1.8984
26	Q	A	-1.9231
27	L	A	0.0000
28	E	A	-2.9637
29	E	A	-3.6513
30	K	A	-3.1088
31	T	A	-2.4456
32	N	A	-3.3313
33	E	A	-3.1777
34	T	A	-1.8855
35	Y	A	-1.2926
36	G	A	-1.4210
37	K	A	-2.5673
38	L	A	0.0000
39	E	A	-2.1466
40	A	A	-1.5270
41	V	A	-0.6279
42	Q	A	-1.2045
43	Y	A	0.0000
44	K	A	0.0000
45	T	A	-0.4713
46	Q	A	-0.4442
47	V	A	-0.0336
48	L	A	-0.3564
49	A	A	-1.2239
50	H	A	-1.8634
51	R	A	-2.5332
52	Q	A	-1.7929
53	Y	A	-0.0246
54	P	A	-0.2650
55	P	A	-0.9846
56	G	A	-0.8846
57	P	A	-0.9381
58	H	A	-1.3189
59	S	A	-0.4329
60	T	A	0.0000
61	N	A	0.0000
62	Y	A	0.1551
63	Y	A	0.0000
64	I	A	0.0000
65	K	A	0.0000
66	V	A	0.0000
67	R	A	-2.7755
68	A	A	-2.1724
69	G	A	-2.5129
70	D	A	-2.9684
71	N	A	-3.7889
72	K	A	-3.5456
73	Y	A	0.0000
74	M	A	0.0000
75	H	A	0.0000
76	L	A	0.0000
77	K	A	0.0038
78	V	A	0.0000
79	F	A	0.0238
80	N	A	-0.5181
81	G	A	0.0000
82	P	A	-0.3794
83	Y	A	0.6755
84	H	A	0.3186
85	F	A	1.1529
86	H	A	-0.0993
87	H	A	-0.5264
88	Y	A	0.5511
89	Y	A	0.0049
90	K	A	-1.8492
91	H	A	-1.5822
92	A	A	-1.6148
93	D	A	-2.2086
94	R	A	-1.1951
95	V	A	-0.2961
96	L	A	0.0000
97	T	A	0.1574
98	G	A	0.0153
99	Y	A	0.3067
100	Q	A	-0.1889
101	V	A	-0.3541
102	D	A	-2.3010
103	K	A	-3.1795
104	N	A	-4.2485
105	K	A	-4.2379
106	D	A	-3.8041
107	D	A	-3.4957
108	E	A	-3.1221
109	L	A	0.0000
110	T	A	-0.5323
111	G	A	-0.1228
112	F	A	0.8135