Project name: FFKGHGF20

Chain sequence(s)	A: FEKGHFEF; C: FEKGHFEF; B: FEKGHFEF; E: FEKGHFEF; D: FEKGHFEF; G: FEKGHFEF; F: FEKGHFEF; I: FEKGHFEF; H: FEKGHFEF; K: FEKGHFEF; J: FEKGHFEF; M: FEKGHFEF; L: FEKGHFEF; O: FEKGHFEF; N: FEKGHFEF; Q: FEKGHFEF; P: FEKGHFEF; S: FEKGHFEF; R: FEKGHFEF; T: FEKGHFEF
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]                                                (00:00:00)
[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                                          (00:15:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:37)

• Minimal score value: -4.1438
• Maximal score value: 2.3902
• Average score: -1.1581
• Total score value: -185.3019

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	-0.1691
2	E	A	-2.8215
3	K	A	-3.2325
4	G	A	0.0000
5	H	A	-1.9661
6	F	A	-0.2046
7	E	A	-0.2946
8	F	A	1.5125
1	F	B	0.0477
2	E	B	-2.6854
3	K	B	-3.8449
4	G	B	0.0000
5	H	B	-1.8790
6	F	B	0.0000
7	E	B	0.0000
8	F	B	1.8795
1	F	C	-1.2831
2	E	C	-3.2562
3	K	C	-3.6222
4	G	C	0.0000
5	H	C	-2.4596
6	F	C	0.0000
7	E	C	-0.8398
8	F	C	1.2850
1	F	D	-1.8297
2	E	D	-3.7639
3	K	D	-3.6458
4	G	D	-2.9055
5	H	D	-2.4626
6	F	D	0.0000
7	E	D	-1.5046
8	F	D	0.3166
1	F	E	0.0000
2	E	E	-4.0069
3	K	E	-3.9966
4	G	E	-3.1326
5	H	E	-2.7689
6	F	E	0.0000
7	E	E	-1.8227
8	F	E	-0.4361
1	F	F	-1.8555
2	E	F	-3.8087
3	K	F	-4.1438
4	G	F	0.0000
5	H	F	-2.7213
6	F	F	0.0000
7	E	F	-1.1115
8	F	F	0.1288
1	F	G	-0.9956
2	E	G	-3.3697
3	K	G	-3.7850
4	G	G	0.0000
5	H	G	-1.9743
6	F	G	0.0000
7	E	G	-0.7176
8	F	G	0.5554
1	F	H	-0.6236
2	E	H	-2.4752
3	K	H	-3.1884
4	G	H	0.0000
5	H	H	-2.2146
6	F	H	0.0000
7	E	H	-0.4405
8	F	H	0.8861
1	F	I	-0.4583
2	E	I	-2.1316
3	K	I	-3.0266
4	G	I	0.0000
5	H	I	-1.7878
6	F	I	0.0000
7	E	I	0.0000
8	F	I	1.1766
1	F	J	-0.1911
2	E	J	-2.0435
3	K	J	-2.8090
4	G	J	0.0000
5	H	J	-1.4309
6	F	J	0.0000
7	E	J	-0.0231
8	F	J	1.1584
1	F	K	0.0343
2	E	K	-1.6846
3	K	K	-2.7186
4	G	K	0.0000
5	H	K	-1.5431
6	F	K	0.0000
7	E	K	0.0000
8	F	K	1.4402
1	F	L	-0.2607
2	E	L	-2.4198
3	K	L	-3.3383
4	G	L	0.0000
5	H	L	-2.0849
6	F	L	0.0000
7	E	L	-0.2668
8	F	L	1.0745
1	F	M	-0.2199
2	E	M	-2.6406
3	K	M	-3.3406
4	G	M	0.0000
5	H	M	-1.6814
6	F	M	-0.2878
7	E	M	-0.3760
8	F	M	1.1765
1	F	N	-1.6822
2	E	N	-3.3117
3	K	N	-3.4299
4	G	N	-2.5177
5	H	N	-1.8247
6	F	N	0.0000
7	E	N	-0.4585
8	F	N	0.7121
1	F	O	-1.3612
2	E	O	-3.2605
3	K	O	-3.5738
4	G	O	-2.3724
5	H	O	-1.9071
6	F	O	0.0000
7	E	O	-0.5323
8	F	O	0.8077
1	F	P	-1.5166
2	E	P	-3.3274
3	K	P	-3.7346
4	G	P	0.0000
5	H	P	-2.2357
6	F	P	-0.9792
7	E	P	-0.5686
8	F	P	0.7667
1	F	Q	-1.8088
2	E	Q	-3.0565
3	K	Q	-3.1880
4	G	Q	-2.5410
5	H	Q	-2.0457
6	F	Q	0.0000
7	E	Q	-1.1312
8	F	Q	0.6947
1	F	R	-1.1630
2	E	R	-2.4910
3	K	R	-2.8466
4	G	R	-1.8663
5	H	R	-1.9299
6	F	R	0.0000
7	E	R	-0.5288
8	F	R	0.0000
1	F	S	-0.3832
2	E	S	-2.0456
3	K	S	-2.8558
4	G	S	0.0000
5	H	S	-1.3764
6	F	S	0.0000
7	E	S	0.1978
8	F	S	1.4086
1	F	T	0.1091
2	E	T	-1.6356
3	K	T	-2.5770
4	G	T	0.0000
5	H	T	-0.8364
6	F	T	0.8648
7	E	T	0.0000
8	F	T	2.3902