Project name: FEFEFEGSKGH20

Chain sequence(s)	A: FEFEFEGSKGH; C: FEFEFEGSKGH; B: FEFEFEGSKGH; E: FEFEFEGSKGH; D: FEFEFEGSKGH; G: FEFEFEGSKGH; F: FEFEFEGSKGH; I: FEFEFEGSKGH; H: FEFEFEGSKGH; K: FEFEFEGSKGH; J: FEFEFEGSKGH; M: FEFEFEGSKGH; L: FEFEFEGSKGH; O: FEFEFEGSKGH; N: FEFEFEGSKGH; Q: FEFEFEGSKGH; P: FEFEFEGSKGH; S: FEFEFEGSKGH; R: FEFEFEGSKGH; T: FEFEFEGSKGH
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                                          (00:18:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:28)

• Minimal score value: -3.774
• Maximal score value: 1.312
• Average score: -1.5298
• Total score value: -336.5535

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	-0.7615
2	E	A	-2.5732
3	F	A	0.0000
4	E	A	-2.7152
5	F	A	0.0000
6	E	A	-1.7267
7	G	A	-1.3355
8	S	A	-1.7798
9	K	A	-2.3089
10	G	A	-2.2610
11	H	A	-2.2112
1	F	B	-0.7033
2	E	B	-2.6007
3	F	B	0.0000
4	E	B	-2.9683
5	F	B	0.0000
6	E	B	-1.6790
7	G	B	-1.0596
8	S	B	-1.5116
9	K	B	-2.0278
10	G	B	-2.0125
11	H	B	-2.0997
1	F	C	-0.3587
2	E	C	-1.9223
3	F	C	0.0000
4	E	C	-2.7339
5	F	C	-1.6861
6	E	C	-1.6242
7	G	C	-1.0057
8	S	C	-1.3829
9	K	C	-1.9536
10	G	C	-1.9669
11	H	C	-2.1060
1	F	D	-0.0526
2	E	D	-1.5627
3	F	D	0.0000
4	E	D	-2.5083
5	F	D	-1.6459
6	E	D	-1.5228
7	G	D	-0.9146
8	S	D	-1.2811
9	K	D	-1.8670
10	G	D	-1.8375
11	H	D	-2.0266
1	F	E	0.0742
2	E	E	-1.3980
3	F	E	0.0000
4	E	E	-2.6488
5	F	E	-1.9741
6	E	E	-1.9145
7	G	E	-1.2397
8	S	E	-1.5220
9	K	E	-1.7991
10	G	E	-1.8295
11	H	E	-2.0648
1	F	F	0.5000
2	E	F	-1.6217
3	F	F	0.0000
4	E	F	-3.4213
5	F	F	0.0000
6	E	F	-2.6697
7	G	F	-1.6605
8	S	F	-2.0549
9	K	F	-2.4527
10	G	F	-2.1804
11	H	F	-2.2022
1	F	G	1.0404
2	E	G	-1.5025
3	F	G	-1.3294
4	E	G	-2.9944
5	F	G	-2.1198
6	E	G	-3.0295
7	G	G	-1.8288
8	S	G	-1.9260
9	K	G	-2.4713
10	G	G	-1.9965
11	H	G	-1.7619
1	F	H	0.3571
2	E	H	-1.6103
3	F	H	-1.4827
4	E	H	-2.3478
5	F	H	-0.8156
6	E	H	-2.5099
7	G	H	-2.2105
8	S	H	-2.8151
9	K	H	-3.4131
10	G	H	-2.4624
11	H	H	-2.2113
1	F	I	-0.0193
2	E	I	-2.1914
3	F	I	0.0000
4	E	I	-2.9372
5	F	I	0.0000
6	E	I	-2.6081
7	G	I	-2.0368
8	S	I	-2.5718
9	K	I	-3.2430
10	G	I	-2.5997
11	H	I	-2.4377
1	F	J	0.0041
2	E	J	-1.9904
3	F	J	0.0000
4	E	J	-3.0550
5	F	J	0.0000
6	E	J	-2.0230
7	G	J	0.0000
8	S	J	-1.8870
9	K	J	-2.4863
10	G	J	-2.2562
11	H	J	-2.2490
1	F	K	0.2773
2	E	K	-2.0328
3	F	K	0.0000
4	E	K	-3.0401
5	F	K	0.0000
6	E	K	-1.7738
7	G	K	0.0000
8	S	K	-1.4461
9	K	K	-2.1468
10	G	K	-2.0968
11	H	K	-2.1636
1	F	L	0.5377
2	E	L	-1.6056
3	F	L	0.0000
4	E	L	-3.0126
5	F	L	0.0000
6	E	L	-1.5734
7	G	L	-1.0243
8	S	L	-1.2574
9	K	L	-1.9000
10	G	L	-1.9545
11	H	L	-2.1224
1	F	M	0.3851
2	E	M	-1.4673
3	F	M	0.0000
4	E	M	-2.7342
5	F	M	0.0000
6	E	M	-1.3137
7	G	M	0.0000
8	S	M	-1.1053
9	K	M	-1.7222
10	G	M	-1.8090
11	H	M	-2.0675
1	F	N	0.2591
2	E	N	-1.5076
3	F	N	0.0000
4	E	N	-2.3760
5	F	N	0.0000
6	E	N	-1.2536
7	G	N	0.0000
8	S	N	-1.0853
9	K	N	-1.7012
10	G	N	-1.7461
11	H	N	-1.9744
1	F	O	0.2959
2	E	O	-1.6278
3	F	O	0.0000
4	E	O	-2.7024
5	F	O	0.0000
6	E	O	-1.6103
7	G	O	-1.1805
8	S	O	-1.4726
9	K	O	-1.6636
10	G	O	-1.9105
11	H	O	-2.0827
1	F	P	0.8054
2	E	P	-1.7025
3	F	P	0.0000
4	E	P	-3.3845
5	F	P	0.0000
6	E	P	-2.4282
7	G	P	0.0000
8	S	P	-2.0503
9	K	P	-2.6415
10	G	P	-2.3947
11	H	P	-2.3127
1	F	Q	1.2613
2	E	Q	-1.5620
3	F	Q	-1.4462
4	E	Q	-3.2407
5	F	Q	-1.9504
6	E	Q	-2.9877
7	G	Q	-2.0994
8	S	Q	-1.9394
9	K	Q	-2.6028
10	G	Q	-2.1707
11	H	Q	-1.7781
1	F	R	1.3120
2	E	R	-0.6287
3	F	R	0.2369
4	E	R	-1.4860
5	F	R	-0.4385
6	E	R	-2.2405
7	G	R	-2.0959
8	S	R	-2.7916
9	K	R	-3.3876
10	G	R	-2.6291
11	H	R	-2.2296
1	F	S	0.3784
2	E	S	-1.2470
3	F	S	0.0000
4	E	S	-2.4383
5	F	S	-1.2525
6	E	S	-2.3281
7	G	S	-2.0153
8	S	S	-2.6263
9	K	S	-3.7740
10	G	S	-2.8749
11	H	S	-2.4955
1	F	T	-0.0857
2	E	T	-2.0609
3	F	T	0.0000
4	E	T	-2.9000
5	F	T	0.0000
6	E	T	-1.9260
7	G	T	-1.6214
8	S	T	-2.3728
9	K	T	-3.0611
10	G	T	-2.7456
11	H	T	-2.1902