Project name: PPP

Chain sequence(s)	A: ALILLMDRTGDDMDYEYDWQDNEMQALHFGKMHLNSSGRQGTGMIRKDGDQGAGEGRDAERLRQKHSDR
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                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -4.7323
• Maximal score value: 0.9749
• Average score: -1.672
• Total score value: -115.3651

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	A	A	-0.2776
2	L	A	0.8195
3	I	A	-0.0289
4	L	A	0.9749
5	L	A	0.2305
6	M	A	0.0000
7	D	A	-2.6582
8	R	A	-2.9585
9	T	A	0.0000
10	G	A	-3.0398
11	D	A	-3.5865
12	D	A	-2.7025
13	M	A	0.0000
14	D	A	-2.1835
15	Y	A	-1.2050
16	E	A	0.0000
17	Y	A	-1.7202
18	D	A	-2.0837
19	W	A	-0.5510
20	Q	A	-1.8459
21	D	A	-2.6610
22	N	A	-1.7801
23	E	A	-1.8627
24	M	A	-0.0475
25	Q	A	-0.5834
26	A	A	0.0000
27	L	A	-0.5323
28	H	A	-0.2957
29	F	A	0.1471
30	G	A	0.0000
31	K	A	-1.7213
32	M	A	-0.3742
33	H	A	-1.1153
34	L	A	-1.6574
35	N	A	-2.1151
36	S	A	-1.7890
37	S	A	0.0000
38	G	A	-2.0902
39	R	A	-3.0932
40	Q	A	-2.3074
41	G	A	-1.2633
42	T	A	-0.7345
43	G	A	-0.1501
44	M	A	0.1033
45	I	A	0.0467
46	R	A	-2.5205
47	K	A	-2.7554
48	D	A	0.0000
49	G	A	-2.0942
50	D	A	-3.2979
51	Q	A	-2.8867
52	G	A	0.0000
53	A	A	-2.0125
54	G	A	-2.5649
55	E	A	-3.8201
56	G	A	-3.1349
57	R	A	-4.2506
58	D	A	-4.4178
59	A	A	0.0000
60	E	A	-4.7323
61	R	A	-4.6374
62	L	A	-3.1500
63	R	A	-3.4703
64	Q	A	-4.0143
65	K	A	-3.6026
66	H	A	0.0000
67	S	A	-2.6783
68	D	A	-3.5025
69	R	A	-3.1289