Project name: 65r1

Chain sequence(s)	A: MIAGVDQALAATGQASQRAAGASGGVTVGVGVGTEQRNLSVVAPSQFTFSSRSPDFVDETAGQSWCAILGLNQFHFAVTNDGVI
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -3.0953
• Maximal score value: 2.7606
• Average score: -0.3875
• Total score value: -32.5533

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	1.9945
2	I	A	2.7606
3	A	A	0.9952
4	G	A	0.3564
5	V	A	1.1561
6	D	A	-1.1342
7	Q	A	-1.5154
8	A	A	-0.4624
9	L	A	-0.3137
10	A	A	-0.8645
11	A	A	-0.5364
12	T	A	-0.6436
13	G	A	-1.3710
14	Q	A	-2.2083
15	A	A	-1.2070
16	S	A	-1.6385
17	Q	A	-2.7947
18	R	A	-2.7418
19	A	A	-1.6898
20	A	A	-1.5376
21	G	A	-1.4817
22	A	A	-1.0913
23	S	A	-0.5880
24	G	A	-0.4968
25	G	A	-0.0183
26	V	A	0.2749
27	T	A	0.0288
28	V	A	0.0334
29	G	A	-1.0992
30	V	A	-0.6424
31	G	A	-1.4935
32	V	A	0.2445
33	G	A	-0.6724
34	T	A	-1.1035
35	E	A	-2.2945
36	Q	A	-2.9892
37	R	A	-3.0953
38	N	A	-2.4829
39	L	A	-0.6350
40	S	A	-0.1148
41	V	A	0.0000
42	V	A	1.3750
43	A	A	0.3263
44	P	A	-0.4789
45	S	A	-0.5740
46	Q	A	-0.5964
47	F	A	0.0360
48	T	A	-0.0035
49	F	A	0.1155
50	S	A	-0.6313
51	S	A	-0.6474
52	R	A	-1.6249
53	S	A	-0.4727
54	P	A	-0.0193
55	D	A	-0.9865
56	F	A	-0.2626
57	V	A	-0.0095
58	D	A	-2.2233
59	E	A	-2.4457
60	T	A	-1.5431
61	A	A	-1.2832
62	G	A	-1.5326
63	Q	A	-1.7265
64	S	A	-0.8594
65	W	A	0.3893
66	C	A	1.2939
67	A	A	1.2696
68	I	A	2.4600
69	L	A	2.3697
70	G	A	1.3080
71	L	A	1.5774
72	N	A	-0.4493
73	Q	A	-0.7248
74	F	A	0.8648
75	H	A	-0.1113
76	F	A	1.6133
77	A	A	1.6282
78	V	A	1.5826
79	T	A	0.5416
80	N	A	-1.3473
81	D	A	-1.6847
82	G	A	-0.3551
83	V	A	1.8088
84	I	A	2.5933