Project name: a4badc40be7288e

Chain sequence(s)	A: KGHKGHG; C: KGHKGHG; B: KGHKGHG; E: KGHKGHG; D: KGHKGHG; G: KGHKGHG; F: KGHKGHG; I: KGHKGHG; H: KGHKGHG; K: KGHKGHG; J: KGHKGHG; L: KGHKGHG
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:15)

• Minimal score value: -3.3469
• Maximal score value: 0.0
• Average score: -1.9517
• Total score value: -163.9458

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	-2.8087
2	G	A	-2.4857
3	H	A	0.0000
4	K	A	-2.3671
5	G	A	0.0000
6	H	A	-1.9932
7	G	A	-1.8125
1	K	B	-2.9379
2	G	B	-2.4686
3	H	B	-2.9485
4	K	B	-3.1133
5	G	B	-2.9823
6	H	B	-2.4959
7	G	B	-2.1325
1	K	C	-2.9553
2	G	C	-2.7244
3	H	C	-3.3469
4	K	C	-3.3011
5	G	C	-2.9016
6	H	C	-2.3907
7	G	C	-2.0002
1	K	D	-3.0731
2	G	D	-2.7757
3	H	D	0.0000
4	K	D	-2.6650
5	G	D	0.0000
6	H	D	-2.2640
7	G	D	-2.0435
1	K	E	-2.6380
2	G	E	-2.2251
3	H	E	0.0000
4	K	E	-1.9487
5	G	E	0.0000
6	H	E	-1.4853
7	G	E	-1.6430
1	K	F	-2.8393
2	G	F	-2.3367
3	H	F	0.0000
4	K	F	-2.1551
5	G	F	0.0000
6	H	F	-1.4650
7	G	F	-1.5124
1	K	G	-2.9450
2	G	G	-2.7125
3	H	G	0.0000
4	K	G	-2.6298
5	G	G	0.0000
6	H	G	-1.9850
7	G	G	-1.8975
1	K	H	-2.9232
2	G	H	-2.7826
3	H	H	-2.8731
4	K	H	-3.0628
5	G	H	0.0000
6	H	H	-2.4467
7	G	H	-2.1261
1	K	I	-2.8740
2	G	I	-2.7504
3	H	I	-2.9215
4	K	I	-3.1168
5	G	I	-2.5589
6	H	I	-2.3024
7	G	I	-1.8336
1	K	J	-3.0121
2	G	J	-2.8262
3	H	J	0.0000
4	K	J	-3.0917
5	G	J	0.0000
6	H	J	-2.2281
7	G	J	-1.9468
1	K	K	-2.5642
2	G	K	-2.1868
3	H	K	0.0000
4	K	K	-2.4853
5	G	K	0.0000
6	H	K	-1.7769
7	G	K	-1.7053
1	K	L	-2.5354
2	G	L	-2.1870
3	H	L	0.0000
4	K	L	-2.2433
5	G	L	0.0000
6	H	L	-1.5956
7	G	L	-1.5829