Project name: 757ae2181edbda1

Chain sequence(s)	A: FFGHKGF; C: FFGHKGF; B: FFGHKGF; E: FFGHKGF; D: FFGHKGF; G: FFGHKGF; F: FFGHKGF; I: FFGHKGF; H: FFGHKGF; K: FFGHKGF; J: FFGHKGF; L: FFGHKGF
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                                          (00:03:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:34)

• Minimal score value: -1.7178
• Maximal score value: 3.7308
• Average score: 1.071
• Total score value: 89.9618

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	F	A	2.3461
2	F	A	2.0525
3	G	A	0.2765
4	H	A	-0.2955
5	K	A	-0.6285
6	G	A	1.2206
7	F	A	3.4476
1	F	B	2.4703
2	F	B	2.0301
3	G	B	0.1206
4	H	B	-0.2887
5	K	B	-0.7951
6	G	B	0.7915
7	F	B	3.0225
1	F	C	3.5281
2	F	C	2.7685
3	G	C	0.1319
4	H	C	-0.6670
5	K	C	-1.3093
6	G	C	0.0211
7	F	C	2.2238
1	F	D	3.3309
2	F	D	3.0048
3	G	D	0.3127
4	H	D	-1.0546
5	K	D	-1.1801
6	G	D	0.1212
7	F	D	2.1044
1	F	E	3.0195
2	F	E	2.6748
3	G	E	0.1657
4	H	E	-0.8829
5	K	E	-0.6977
6	G	E	0.7354
7	F	E	2.8089
1	F	F	2.4648
2	F	F	2.2973
3	G	F	-0.0112
4	H	F	-0.3844
5	K	F	-0.5847
6	G	F	1.2259
7	F	F	3.3440
1	F	G	2.1086
2	F	G	1.7671
3	G	G	-0.0282
4	H	G	-0.2128
5	K	G	-0.2599
6	G	G	1.3795
7	F	G	3.4151
1	F	H	2.6373
2	F	H	2.0055
3	G	H	-0.1804
4	H	H	-0.5811
5	K	H	-0.5519
6	G	H	1.0909
7	F	H	3.3639
1	F	I	2.8065
2	F	I	2.4922
3	G	I	-0.1762
4	H	I	-1.2805
5	K	I	-1.0956
6	G	I	0.4514
7	F	I	2.8193
1	F	J	3.2582
2	F	J	3.1702
3	G	J	0.0331
4	H	J	-1.5087
5	K	J	-1.7178
6	G	J	-0.3387
7	F	J	1.9343
1	F	K	3.7308
2	F	K	3.5423
3	G	K	0.4602
4	H	K	-0.5989
5	K	K	-1.0388
6	G	K	0.2743
7	F	K	2.1972
1	F	L	2.8604
2	F	L	2.4261
3	G	L	0.4570
4	H	L	-0.0455
5	K	L	-0.3102
6	G	L	0.9905
7	F	L	2.9328