Project name: hiapp2

Chain sequence(s)	A: KCNTATCATQRLANFLVHSSNNFGAILSSTNVGSNTY
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -2.0847
• Maximal score value: 2.7007
• Average score: 0.232
• Total score value: 8.5851

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	-2.0847
2	C	A	-1.6284
3	N	A	-1.8388
4	T	A	-0.8818
5	A	A	-0.5625
6	T	A	-0.5819
7	C	A	-0.9928
8	A	A	-1.3871
9	T	A	-0.6740
10	Q	A	-1.2154
11	R	A	-1.2994
12	L	A	1.1332
13	A	A	0.6383
14	N	A	0.4055
15	F	A	2.5989
16	L	A	2.5658
17	V	A	1.4611
18	H	A	0.0227
19	S	A	0.9529
20	S	A	0.0340
21	N	A	-0.8557
22	N	A	0.6015
23	F	A	2.2772
24	G	A	1.7924
25	A	A	1.4195
26	I	A	2.5340
27	L	A	2.7007
28	S	A	1.5266
29	S	A	1.0494
30	T	A	0.2737
31	N	A	-0.7966
32	V	A	0.4935
33	G	A	-0.2994
34	S	A	-0.3579
35	N	A	-1.0491
36	T	A	-0.1443
37	Y	A	0.7540