Project name: qianhe

Chain sequence(s)	A: CGNLSTCLLGTYTQDAHKLQTYPRTNTGSGTP
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -2.1168
• Maximal score value: 2.075
• Average score: -0.479
• Total score value: -15.3268

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	C	A	0.5034
2	G	A	-0.4002
3	N	A	-0.3018
4	L	A	1.3397
5	S	A	0.8920
6	T	A	0.9629
7	C	A	1.4126
8	L	A	2.0750
9	L	A	1.9588
10	G	A	0.7614
11	T	A	0.0992
12	Y	A	0.7035
13	T	A	-0.3154
14	Q	A	-1.8126
15	D	A	-2.1168
16	A	A	-1.3221
17	H	A	-2.0677
18	K	A	-1.8813
19	L	A	-0.4702
20	Q	A	-1.6593
21	T	A	-1.1360
22	Y	A	-0.1653
23	P	A	-1.0599
24	R	A	-2.0675
25	T	A	-1.5252
26	N	A	-2.0483
27	T	A	-1.4030
28	G	A	-1.3214
29	S	A	-0.9858
30	G	A	-0.9873
31	T	A	-0.5537
32	P	A	-0.4345