Project name: 1a94cef733c22b8

Chain sequence(s)	A: KKGHKGH; C: KKGHKGH; B: KKGHKGH; E: KKGHKGH; D: KKGHKGH; G: KKGHKGH; F: KKGHKGH; I: KKGHKGH; H: KKGHKGH; K: KKGHKGH; J: KKGHKGH; L: KKGHKGH
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                                          (00:09:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:19)

• Minimal score value: -4.3273
• Maximal score value: 0.0
• Average score: -2.6337
• Total score value: -221.2336

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	-3.8436
2	K	A	-4.0121
3	G	A	-3.0108
4	H	A	-3.0222
5	K	A	-3.0166
6	G	A	-2.0613
7	H	A	-1.9571
1	K	B	-3.7478
2	K	B	-4.1465
3	G	B	-2.9915
4	H	B	-2.9562
5	K	B	-3.1683
6	G	B	-2.2415
7	H	B	-2.0687
1	K	C	-3.8862
2	K	C	-4.2001
3	G	C	-3.3532
4	H	C	0.0000
5	K	C	-2.6304
6	G	C	-2.1939
7	H	C	-2.4091
1	K	D	-4.0590
2	K	D	-3.6304
3	G	D	-2.7619
4	H	D	0.0000
5	K	D	-1.9984
6	G	D	-1.7135
7	H	D	-2.2254
1	K	E	-3.4398
2	K	E	-3.6252
3	G	E	-2.6452
4	H	E	0.0000
5	K	E	-1.8804
6	G	E	-1.7450
7	H	E	-2.0927
1	K	F	-4.1187
2	K	F	-3.9395
3	G	F	-3.0909
4	H	F	0.0000
5	K	F	-2.2386
6	G	F	-1.8430
7	H	F	-2.2286
1	K	G	-3.6075
2	K	G	-3.7680
3	G	G	-3.1173
4	H	G	-2.7563
5	K	G	-2.4154
6	G	G	-1.6911
7	H	G	-1.9771
1	K	H	-3.5783
2	K	H	-3.6629
3	G	H	-2.9620
4	H	H	-3.0046
5	K	H	-2.8106
6	G	H	-1.9520
7	H	H	-2.0929
1	K	I	-3.9524
2	K	I	-3.7997
3	G	I	-3.1683
4	H	I	0.0000
5	K	I	-2.6315
6	G	I	-2.1200
7	H	I	-2.3690
1	K	J	-4.1892
2	K	J	-4.0867
3	G	J	-2.8685
4	H	J	0.0000
5	K	J	-2.3771
6	G	J	-2.0207
7	H	J	-2.3052
1	K	K	-4.2887
2	K	K	-3.7925
3	G	K	-2.7790
4	H	K	0.0000
5	K	K	-2.2214
6	G	K	-1.8873
7	H	K	-2.3184
1	K	L	-4.3273
2	K	L	-3.9332
3	G	L	-3.0986
4	H	L	0.0000
5	K	L	-2.6361
6	G	L	-2.1318
7	H	L	-2.3417