Project name: t-pHrange

Chain sequence(s)	A: TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -1.8191
• Maximal score value: 2.3135
• Average score: 0.0933
• Total score value: 4.2905

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	T	A	-0.0691
2	T	A	0.1485
3	C	A	0.0000
4	C	A	0.0000
5	P	A	-0.0895
6	S	A	0.2516
7	I	A	2.3135
8	V	A	2.1341
9	A	A	0.0000
10	R	A	-0.3977
11	S	A	-0.4548
12	N	A	-1.3017
13	F	A	0.0000
14	N	A	-0.9190
15	V	A	1.5669
16	C	A	0.2967
17	R	A	-0.4006
18	L	A	1.3742
19	P	A	-0.0551
20	G	A	-0.5151
21	T	A	-0.1385
22	P	A	-0.3564
23	E	A	-0.7048
24	A	A	0.1303
25	I	A	1.0766
26	C	A	0.0000
27	A	A	-0.0069
28	T	A	0.1756
29	Y	A	1.3002
30	T	A	0.1777
31	G	A	-0.2832
32	C	A	0.0000
33	I	A	0.8253
34	I	A	1.5830
35	I	A	0.5410
36	P	A	-0.2602
37	G	A	-0.4083
38	A	A	-0.0232
39	T	A	-0.0160
40	C	A	0.1921
41	P	A	-0.2160
42	G	A	-0.8249
43	D	A	-1.8191
44	Y	A	-0.0189
45	A	A	0.0160
46	N	A	-0.5338