Project name: GHKGHKG12

Chain sequence(s)	A: GHKGHKG; C: GHKGHKG; B: GHKGHKG; E: GHKGHKG; D: GHKGHKG; G: GHKGHKG; F: GHKGHKG; I: GHKGHKG; H: GHKGHKG; K: GHKGHKG; J: GHKGHKG; L: GHKGHKG
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                                          (00:04:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:41)

• Minimal score value: -4.7905
• Maximal score value: 0.0
• Average score: -3.5386
• Total score value: -297.2387

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	-2.1281
2	H	A	-2.7141
3	K	A	-3.6422
4	G	A	-3.3099
5	H	A	-4.4599
6	K	A	-3.9113
7	G	A	-2.8179
1	G	B	-2.6247
2	H	B	-3.4433
3	K	B	-4.1264
4	G	B	-3.4964
5	H	B	-3.8419
6	K	B	-3.6874
7	G	B	-2.5542
1	G	C	-3.9663
2	H	C	-3.5840
3	K	C	-4.0942
4	G	C	-3.8840
5	H	C	-4.5906
6	K	C	-4.7905
7	G	C	-3.7998
1	G	D	0.0000
2	H	D	-3.8759
3	K	D	-4.1848
4	G	D	-3.4047
5	H	D	-4.1420
6	K	D	-3.9837
7	G	D	-3.4751
1	G	E	-3.0528
2	H	E	-3.4196
3	K	E	-4.4645
4	G	E	-4.1134
5	H	E	-4.6187
6	K	E	-4.1291
7	G	E	-3.7756
1	G	F	-4.1023
2	H	F	-4.3092
3	K	F	-4.5850
4	G	F	-3.6352
5	H	F	-3.7311
6	K	F	-3.5708
7	G	F	-3.1718
1	G	G	-3.0464
2	H	G	-2.7431
3	K	G	-3.8302
4	G	G	0.0000
5	H	G	-4.2316
6	K	G	-4.1998
7	G	G	-3.5219
1	G	H	-3.4083
2	H	H	-3.7987
3	K	H	-4.5040
4	G	H	0.0000
5	H	H	-4.6213
6	K	H	-4.1750
7	G	H	-3.7154
1	G	I	-4.0736
2	H	I	-4.2154
3	K	I	-4.3755
4	G	I	-3.6892
5	H	I	-3.7131
6	K	I	-3.2989
7	G	I	-2.2970
1	G	J	-3.6550
2	H	J	-3.5394
3	K	J	-3.4413
4	G	J	-3.1975
5	H	J	-3.3940
6	K	J	-3.0707
7	G	J	-2.1745
1	G	K	-2.8025
2	H	K	-2.8080
3	K	K	-3.7568
4	G	K	-3.1639
5	H	K	-3.9488
6	K	K	-4.7762
7	G	K	-3.7316
1	G	L	-3.4229
2	H	L	-4.2664
3	K	L	-4.7330
4	G	L	-3.7329
5	H	L	-3.5552
6	K	L	-3.1177
7	G	L	-2.2796