Project name: 7d20d5fc819f463

Chain sequence(s)	A: GHKGHKS; C: GHKGHKS; B: GHKGHKS; E: GHKGHKS; D: GHKGHKS; G: GHKGHKS; F: GHKGHKS; I: GHKGHKS; H: GHKGHKS; K: GHKGHKS; J: GHKGHKS; L: GHKGHKS
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                                          (00:10:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:34)

• Minimal score value: -3.6005
• Maximal score value: 0.0
• Average score: -1.5807
• Total score value: -132.7767

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	G	A	-1.7078
2	H	A	-2.0371
3	K	A	-2.5858
4	G	A	0.0000
5	H	A	0.0000
6	K	A	-1.9932
7	S	A	-1.2127
1	G	B	-1.4920
2	H	B	-2.2612
3	K	B	-2.4280
4	G	B	-2.2527
5	H	B	-2.4558
6	K	B	-2.3837
7	S	B	-1.2538
1	G	C	-1.4370
2	H	C	-2.1431
3	K	C	-2.9955
4	G	C	-2.5293
5	H	C	-2.5452
6	K	C	-2.6782
7	S	C	-1.3813
1	G	D	-1.6830
2	H	D	-1.9871
3	K	D	-2.3910
4	G	D	0.0000
5	H	D	0.0000
6	K	D	-2.1161
7	S	D	-1.2903
1	G	E	-1.5307
2	H	E	-1.7303
3	K	E	-2.0766
4	G	E	0.0000
5	H	E	0.0000
6	K	E	-1.7163
7	S	E	-1.0925
1	G	F	-1.6836
2	H	F	-2.0267
3	K	F	-2.3863
4	G	F	0.0000
5	H	F	0.0000
6	K	F	-1.9025
7	S	F	-1.1853
1	G	G	-1.5751
2	H	G	-2.0977
3	K	G	-2.9181
4	G	G	0.0000
5	H	G	-2.4467
6	K	G	-2.5295
7	S	G	-1.2538
1	G	H	-1.8786
2	H	H	-2.7767
3	K	H	-3.6005
4	G	H	-2.8492
5	H	H	-3.0515
6	K	H	-3.0061
7	S	H	-1.4800
1	G	I	-1.9479
2	H	I	-2.6443
3	K	I	-2.9392
4	G	I	0.0000
5	H	I	0.0000
6	K	I	-2.2480
7	S	I	-1.3536
1	G	J	-1.5912
2	H	J	-1.9295
3	K	J	-1.9867
4	G	J	0.0000
5	H	J	0.0000
6	K	J	-1.6586
7	S	J	-0.9990
1	G	K	-1.4415
2	H	K	-1.5909
3	K	K	-1.7052
4	G	K	0.0000
5	H	K	0.0000
6	K	K	-1.7337
7	S	K	-1.1596
1	G	L	-1.5524
2	H	L	-1.6862
3	K	L	-1.8095
4	G	L	0.0000
5	H	L	0.0000
6	K	L	-1.7476
7	S	L	-1.0169