Project name: FEFEFEGKGH20

Chain sequence(s)	A: FEFEFEGKGH; C: FEFEFEGKGH; B: FEFEFEGKGH; E: FEFEFEGKGH; D: FEFEFEGKGH; G: FEFEFEGKGH; F: FEFEFEGKGH; I: FEFEFEGKGH; H: FEFEFEGKGH; K: FEFEFEGKGH; J: FEFEFEGKGH; M: FEFEFEGKGH; L: FEFEFEGKGH; O: FEFEFEGKGH; N: FEFEFEGKGH; Q: FEFEFEGKGH; P: FEFEFEGKGH; S: FEFEFEGKGH; R: FEFEFEGKGH; T: FEFEFEGKGH
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                                          (00:32:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:33:01)

• Minimal score value: -4.1219
• Maximal score value: 1.5585
• Average score: -1.0527
• Total score value: -210.5337

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	1.2486
2	E	A	-1.3148
3	F	A	-1.5496
4	E	A	-2.1682
5	F	A	-1.2202
6	E	A	-2.0488
7	G	A	0.0000
8	K	A	-2.7015
9	G	A	0.0000
10	H	A	-1.6110
1	F	B	1.0788
2	E	B	-2.2156
3	F	B	-1.9585
4	E	B	-2.9684
5	F	B	-1.7630
6	E	B	-2.5183
7	G	B	0.0000
8	K	B	-2.6819
9	G	B	0.0000
10	H	B	-1.4439
1	F	C	1.2066
2	E	C	-1.5670
3	F	C	-2.1678
4	E	C	-3.3837
5	F	C	-2.5777
6	E	C	-3.8089
7	G	C	0.0000
8	K	C	-3.4894
9	G	C	0.0000
10	H	C	-2.0077
1	F	D	0.9361
2	E	D	-2.2002
3	F	D	-2.4957
4	E	D	-3.8800
5	F	D	-2.8572
6	E	D	-4.1219
7	G	D	0.0000
8	K	D	-3.4464
9	G	D	0.0000
10	H	D	-1.6201
1	F	E	1.0225
2	E	E	-1.3096
3	F	E	-1.8220
4	E	E	-3.3439
5	F	E	-2.8065
6	E	E	-3.9906
7	G	E	0.0000
8	K	E	-3.5596
9	G	E	0.0000
10	H	E	-2.0430
1	F	F	0.8794
2	E	F	-2.1013
3	F	F	-2.0349
4	E	F	-3.1182
5	F	F	-2.4973
6	E	F	-3.7148
7	G	F	0.0000
8	K	F	-3.2042
9	G	F	0.0000
10	H	F	-1.3299
1	F	G	1.0611
2	E	G	-1.8765
3	F	G	-1.7272
4	E	G	-3.0422
5	F	G	-2.2187
6	E	G	-3.6200
7	G	G	0.0000
8	K	G	-3.0539
9	G	G	0.0000
10	H	G	-1.7223
1	F	H	1.1323
2	E	H	-1.8286
3	F	H	-1.5222
4	E	H	-3.0161
5	F	H	-1.8436
6	E	H	-2.8252
7	G	H	0.0000
8	K	H	-2.5841
9	G	H	0.0000
10	H	H	-1.4249
1	F	I	1.1321
2	E	I	-0.9660
3	F	I	-0.8589
4	E	I	-1.8152
5	F	I	-1.0389
6	E	I	-1.5378
7	G	I	0.0000
8	K	I	-2.1794
9	G	I	0.0000
10	H	I	-1.0976
1	F	J	1.5060
2	E	J	-1.0527
3	F	J	-0.7659
4	E	J	-1.6652
5	F	J	-0.8651
6	E	J	-1.2878
7	G	J	0.0000
8	K	J	0.0000
9	G	J	0.0000
10	H	J	-0.8327
1	F	K	-0.6865
2	E	K	-1.5618
3	F	K	-0.6595
4	E	K	0.0000
5	F	K	-0.5870
6	E	K	0.0000
7	G	K	0.0000
8	K	K	0.0000
9	G	K	0.0000
10	H	K	-0.7084
1	F	L	0.5351
2	E	L	-1.7259
3	F	L	-0.8010
4	E	L	-1.4892
5	F	L	-0.4553
6	E	L	0.0000
7	G	L	0.0000
8	K	L	-1.5301
9	G	L	0.0000
10	H	L	0.0000
1	F	M	-0.6720
2	E	M	-1.9199
3	F	M	0.0000
4	E	M	-2.0499
5	F	M	0.0000
6	E	M	-1.6854
7	G	M	0.0000
8	K	M	-1.7278
9	G	M	0.0000
10	H	M	-1.6093
1	F	N	-1.6013
2	E	N	-2.1054
3	F	N	0.0000
4	E	N	-1.9002
5	F	N	0.0000
6	E	N	-1.7620
7	G	N	0.0000
8	K	N	-1.9039
9	G	N	0.0000
10	H	N	-1.4136
1	F	O	0.0884
2	E	O	-1.2108
3	F	O	0.0000
4	E	O	-1.4870
5	F	O	0.0000
6	E	O	-1.9569
7	G	O	0.0000
8	K	O	-1.9008
9	G	O	0.0000
10	H	O	-2.3070
1	F	P	0.0000
2	E	P	-1.8178
3	F	P	0.0000
4	E	P	-1.7735
5	F	P	0.0000
6	E	P	-1.3921
7	G	P	-0.5832
8	K	P	-0.8169
9	G	P	0.0000
10	H	P	-1.3663
1	F	Q	0.9855
2	E	Q	-1.4651
3	F	Q	-0.5666
4	E	Q	-0.9795
5	F	Q	-0.3252
6	E	Q	0.0000
7	G	Q	0.0000
8	K	Q	-1.9765
9	G	Q	0.0000
10	H	Q	-0.8664
1	F	R	1.1347
2	E	R	-0.7381
3	F	R	-0.9215
4	E	R	0.0000
5	F	R	-0.6984
6	E	R	0.0000
7	G	R	0.0000
8	K	R	-1.0968
9	G	R	0.0000
10	H	R	-1.2139
1	F	S	1.1368
2	E	S	-1.4175
3	F	S	-1.1429
4	E	S	-1.3558
5	F	S	-0.1964
6	E	S	-0.8279
7	G	S	0.0000
8	K	S	-1.3947
9	G	S	0.0000
10	H	S	-0.9915
1	F	T	1.5585
2	E	T	-1.0833
3	F	T	-0.8514
4	E	T	-1.9641
5	F	T	-0.6886
6	E	T	-0.9798
7	G	T	0.0000
8	K	T	-1.9212
9	G	T	0.0000
10	H	T	-1.4135