Project name: e6c99d50dbca71f

Chain sequence(s)	A: DPNTQLLNDLGNNMAWGAALGAPGGLGSAALGAAGGALQTVGQGLIDHGPVNVPIPVLIGPSWNGSGSGYNSATS
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -2.3908
• Maximal score value: 3.4527
• Average score: 0.3458
• Total score value: 25.9352

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
4	D	A	-2.3908
5	P	A	-1.8922
6	N	A	-2.0267
7	T	A	-1.6407
8	Q	A	-2.1064
9	L	A	-0.6675
10	L	A	-0.2716
11	N	A	-1.9177
12	D	A	-1.9434
13	L	A	-0.4054
14	G	A	-1.0358
15	N	A	-1.5123
16	N	A	-0.7330
17	M	A	0.1072
18	A	A	0.3658
19	W	A	1.2680
20	G	A	0.0000
21	A	A	1.2712
22	A	A	1.2329
23	L	A	1.9603
24	G	A	1.1003
25	A	A	0.4521
26	P	A	-0.0251
27	G	A	-0.0902
28	G	A	0.2816
29	L	A	1.2990
30	G	A	0.4504
31	S	A	0.7831
32	A	A	1.0513
33	A	A	0.9846
34	L	A	1.6457
35	G	A	1.4255
36	A	A	1.0255
37	A	A	0.7022
38	G	A	0.5030
39	G	A	0.0000
40	A	A	0.2206
41	L	A	1.0946
42	Q	A	-0.3092
43	T	A	0.0000
44	V	A	1.3727
45	G	A	0.6236
46	Q	A	-0.2901
47	G	A	0.2129
48	L	A	1.4376
49	I	A	1.1888
50	D	A	-1.1126
51	H	A	-0.7806
52	G	A	-0.0262
53	P	A	0.4916
54	V	A	1.6606
55	N	A	0.5687
56	V	A	1.9715
57	P	A	1.5981
58	I	A	2.6844
59	P	A	2.5586
60	V	A	3.4527
61	L	A	3.1651
62	I	A	2.8261
63	G	A	1.0515
64	P	A	-0.0331
65	S	A	-0.0426
66	W	A	0.2518
67	N	A	-1.0483
68	G	A	-0.9532
69	S	A	-0.6684
70	G	A	0.0000
71	S	A	0.2062
72	G	A	1.3296
73	Y	A	2.2056
74	N	A	0.4995
75	S	A	0.0648
76	A	A	-0.0816
77	T	A	-0.2902
78	S	A	-0.4168