Project name: riapp2

Chain sequence(s)	A: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)

• Minimal score value: -1.7097
• Maximal score value: 2.6301
• Average score: 0.1786
• Total score value: 6.6073

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	K	A	-1.7097
2	C	A	-0.6314
3	N	A	-1.3995
4	T	A	-0.6996
5	A	A	-0.1333
6	T	A	-0.5036
7	C	A	-0.5884
8	A	A	-0.5703
9	T	A	-0.2957
10	Q	A	-1.4870
11	R	A	-1.3221
12	L	A	1.1628
13	A	A	0.8065
14	N	A	0.7249
15	F	A	2.3955
16	L	A	2.6301
17	V	A	2.0950
18	R	A	0.1902
19	S	A	0.8310
20	S	A	0.6902
21	N	A	0.0639
22	N	A	-0.6742
23	L	A	0.7246
24	G	A	0.4223
25	P	A	0.8489
26	V	A	1.9109
27	L	A	1.7105
28	P	A	0.5049
29	P	A	0.1207
30	T	A	-0.1943
31	N	A	-0.5369
32	V	A	0.5054
33	G	A	-0.4591
34	S	A	-0.5907
35	N	A	-0.7831
36	T	A	-0.0944
37	Y	A	0.9423