Project name: 62bc505b647e553

Chain sequence(s)	A: SGHKGHK; C: SGHKGHK; B: SGHKGHK; E: SGHKGHK; D: SGHKGHK; G: SGHKGHK; F: SGHKGHK; I: SGHKGHK; H: SGHKGHK; K: SGHKGHK; J: SGHKGHK; L: SGHKGHK
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]                                                (00:00:00)
[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 all 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                                          (00:03:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:51)

• Minimal score value: -3.5567
• Maximal score value: 0.0
• Average score: -1.719
• Total score value: -144.3993

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	S	A	-0.7393
2	G	A	-1.0102
3	H	A	0.0000
4	K	A	-1.5907
5	G	A	0.0000
6	H	A	-2.5566
7	K	A	-3.5468
1	S	B	-0.9947
2	G	B	-1.5395
3	H	B	0.0000
4	K	B	-2.0792
5	G	B	0.0000
6	H	B	-2.8778
7	K	B	-3.5567
1	S	C	-0.8889
2	G	C	-1.7422
3	H	C	-2.3199
4	K	C	-2.6835
5	G	C	0.0000
6	H	C	-2.8132
7	K	C	-3.0995
1	S	D	-1.0130
2	G	D	-1.7015
3	H	D	0.0000
4	K	D	-2.4435
5	G	D	0.0000
6	H	D	-2.7024
7	K	D	-2.8226
1	S	E	-1.0644
2	G	E	-1.6352
3	H	E	-2.0997
4	K	E	-2.0476
5	G	E	0.0000
6	H	E	-2.2437
7	K	E	-2.3441
1	S	F	-1.0784
2	G	F	-1.4314
3	H	F	-1.7200
4	K	F	-1.6460
5	G	F	0.0000
6	H	F	-1.8721
7	K	F	-2.2937
1	S	G	-1.0900
2	G	G	-1.7506
3	H	G	-2.0942
4	K	G	-1.8274
5	G	G	0.0000
6	H	G	-2.5056
7	K	G	-3.1384
1	S	H	-1.0256
2	G	H	-1.6818
3	H	H	-2.2468
4	K	H	-2.0906
5	G	H	-2.4155
6	H	H	-2.4872
7	K	H	-2.9297
1	S	I	-0.8234
2	G	I	-1.5820
3	H	I	-2.3135
4	K	I	-2.6386
5	G	I	-2.5444
6	H	I	-2.3869
7	K	I	-2.8443
1	S	J	-1.0407
2	G	J	-1.7752
3	H	J	-2.2820
4	K	J	-2.5306
5	G	J	0.0000
6	H	J	-2.7852
7	K	J	-3.2808
1	S	K	-0.8564
2	G	K	-1.5723
3	H	K	-1.9701
4	K	K	-1.9890
5	G	K	0.0000
6	H	K	-2.5191
7	K	K	-3.5343
1	S	L	-0.8545
2	G	L	-1.2611
3	H	L	0.0000
4	K	L	-1.6373
5	G	L	0.0000
6	H	L	-2.4866
7	K	L	-3.4096