Project name: FKFEKGH20

Chain sequence(s)	A: FKFEKGH; C: FKFEKGH; B: FKFEKGH; E: FKFEKGH; D: FKFEKGH; G: FKFEKGH; F: FKFEKGH; I: FKFEKGH; H: FKFEKGH; K: FKFEKGH; J: FKFEKGH; M: FKFEKGH; L: FKFEKGH; O: FKFEKGH; N: FKFEKGH; Q: FKFEKGH; P: FKFEKGH; S: FKFEKGH; R: FKFEKGH; T: FKFEKGH
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T
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                                          (00:15:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:57)

• Minimal score value: -4.2405
• Maximal score value: 1.1681
• Average score: -2.0261
• Total score value: -283.6601

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	1.1681
2	K	A	-0.2757
3	F	A	-0.6593
4	E	A	-2.1799
5	K	A	-3.2877
6	G	A	-2.6630
7	H	A	-2.1429
1	F	B	0.0000
2	K	B	-0.8213
3	F	B	0.0000
4	E	B	-2.7565
5	K	B	-3.1354
6	G	B	-2.4850
7	H	B	-2.2805
1	F	C	0.4677
2	K	C	-1.1942
3	F	C	-1.8045
4	E	C	-2.8805
5	K	C	-3.2573
6	G	C	-2.5679
7	H	C	-2.2025
1	F	D	0.4605
2	K	D	-1.5464
3	F	D	-2.1338
4	E	D	-3.5337
5	K	D	-3.5920
6	G	D	-2.8343
7	H	D	-2.2471
1	F	E	0.5573
2	K	E	-1.5249
3	F	E	-1.5834
4	E	E	-3.2410
5	K	E	-3.7920
6	G	E	-2.9216
7	H	E	-2.4061
1	F	F	0.4965
2	K	F	-1.0898
3	F	F	-1.1700
4	E	F	-2.8214
5	K	F	-3.5057
6	G	F	-2.7193
7	H	F	-2.1485
1	F	G	0.3956
2	K	G	-1.1064
3	F	G	-1.1463
4	E	G	-2.4347
5	K	G	-3.1753
6	G	G	-2.1699
7	H	G	-2.0195
1	F	H	0.1112
2	K	H	-1.2413
3	F	H	-1.5172
4	E	H	-2.6421
5	K	H	-2.7599
6	G	H	-2.4362
7	H	H	-1.9238
1	F	I	-0.2831
2	K	I	-1.8468
3	F	I	-2.1167
4	E	I	-3.0150
5	K	I	-3.2449
6	G	I	-2.6631
7	H	I	-2.1221
1	F	J	-0.5113
2	K	J	-2.5397
3	F	J	-2.3408
4	E	J	-3.3138
5	K	J	-3.0026
6	G	J	-2.5341
7	H	J	-2.1625
1	F	K	-0.4492
2	K	K	-2.1291
3	F	K	-2.2789
4	E	K	-3.2758
5	K	K	-3.0553
6	G	K	-2.5839
7	H	K	-2.1047
1	F	L	-0.2624
2	K	L	-2.2880
3	F	L	-1.7099
4	E	L	-3.0520
5	K	L	-3.1582
6	G	L	-2.5610
7	H	L	-2.2648
1	F	M	0.2989
2	K	M	-1.4526
3	F	M	-1.6739
4	E	M	-3.0146
5	K	M	-3.2109
6	G	M	-2.8270
7	H	M	-2.1059
1	F	N	0.1712
2	K	N	-1.4627
3	F	N	-1.6022
4	E	N	-3.2295
5	K	N	-3.9473
6	G	N	-2.9198
7	H	N	-2.3388
1	F	O	0.3731
2	K	O	-1.3120
3	F	O	-1.3673
4	E	O	-2.8742
5	K	O	-3.6067
6	G	O	-2.9234
7	H	O	-2.1267
1	F	P	0.5500
2	K	P	-0.7019
3	F	P	-1.1181
4	E	P	-2.7755
5	K	P	-3.3316
6	G	P	-2.6408
7	H	P	-1.9455
1	F	Q	0.3911
2	K	Q	-1.1630
3	F	Q	-1.6150
4	E	Q	-3.0089
5	K	Q	-3.6848
6	G	Q	-2.8635
7	H	Q	-2.1579
1	F	R	0.3474
2	K	R	-1.5200
3	F	R	-1.8038
4	E	R	-3.1241
5	K	R	-3.8559
6	G	R	-3.0016
7	H	R	-2.2343
1	F	S	0.0074
2	K	S	-2.0074
3	F	S	-2.1629
4	E	S	-3.5641
5	K	S	-4.2405
6	G	S	-3.2264
7	H	S	-2.4509
1	F	T	0.0000
2	K	T	-2.2065
3	F	T	-2.2666
4	E	T	-3.5353
5	K	T	-3.6502
6	G	T	-2.6887
7	H	T	-2.0675