Project name: 65r3

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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -3.1427
• Maximal score value: 2.5618
• Average score: -0.4268
• Total score value: -35.8503

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	1.9956
2	I	A	2.5618
3	A	A	0.8760
4	G	A	0.4957
5	V	A	1.3359
6	D	A	-0.6214
7	Q	A	-1.1692
8	A	A	-0.5056
9	L	A	0.6516
10	A	A	-0.3732
11	A	A	-0.5509
12	T	A	-0.6726
13	G	A	-1.0706
14	Q	A	-1.7390
15	A	A	-0.9997
16	S	A	-1.3617
17	Q	A	-2.0594
18	R	A	-1.6150
19	A	A	-0.8027
20	A	A	-0.5643
21	G	A	-0.6305
22	A	A	-0.5655
23	S	A	-0.5782
24	G	A	-0.7182
25	G	A	-0.2166
26	V	A	0.0000
27	T	A	-0.3510
28	V	A	-0.6098
29	G	A	-1.5943
30	V	A	0.0000
31	G	A	-1.3521
32	V	A	-1.3661
33	G	A	-1.0229
34	T	A	-1.3325
35	E	A	-2.9959
36	Q	A	-3.1427
37	R	A	-3.1238
38	N	A	-2.3470
39	L	A	-0.5418
40	S	A	0.0358
41	V	A	0.8072
42	V	A	1.6175
43	A	A	0.4275
44	P	A	-0.1294
45	S	A	-0.5547
46	Q	A	-0.6788
47	F	A	0.1600
48	T	A	0.2112
49	F	A	0.2443
50	S	A	-0.5075
51	S	A	-1.2961
52	R	A	-2.2573
53	S	A	-1.3505
54	P	A	-0.8622
55	D	A	-0.8564
56	F	A	1.0018
57	V	A	0.5890
58	D	A	-1.6294
59	E	A	-2.0766
60	T	A	-1.3430
61	A	A	-1.2381
62	G	A	-1.0976
63	Q	A	-0.4410
64	S	A	0.0583
65	W	A	0.9595
66	C	A	0.5282
67	A	A	0.4915
68	I	A	0.4758
69	L	A	0.2898
70	G	A	-0.0550
71	L	A	0.8920
72	N	A	-0.4626
73	Q	A	-0.6366
74	F	A	0.4691
75	H	A	-0.2289
76	F	A	0.7025
77	A	A	0.5730
78	V	A	0.1389
79	T	A	-0.5422
80	N	A	-1.8175
81	D	A	-1.7746
82	G	A	-0.2460
83	V	A	1.7576
84	I	A	2.4788