Project name: A?16-22_20

Chain sequence(s)	A: KLVFFAE; C: KLVFFAE; B: KLVFFAE; E: KLVFFAE; D: KLVFFAE; G: KLVFFAE; F: KLVFFAE; I: KLVFFAE; H: KLVFFAE; K: KLVFFAE; J: KLVFFAE; M: KLVFFAE; L: KLVFFAE; O: KLVFFAE; N: KLVFFAE; Q: KLVFFAE; P: KLVFFAE; S: KLVFFAE; R: KLVFFAE; T: KLVFFAE
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                                          (00:07:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:38)

• Minimal score value: -3.9218
• Maximal score value: 2.5473
• Average score: -0.5406
• Total score value: -75.6883

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	K	A	-2.3031
2	L	A	-0.2028
3	V	A	1.4271
4	F	A	2.2471
5	F	A	0.9509
6	A	A	0.0000
7	E	A	-3.1205
1	K	B	-2.1239
2	L	B	-0.0645
3	V	B	1.2139
4	F	B	2.0092
5	F	B	0.8775
6	A	B	0.0000
7	E	B	-3.0680
1	K	C	-2.8405
2	L	C	-0.7572
3	V	C	1.3047
4	F	C	2.3939
5	F	C	1.7422
6	A	C	0.0000
7	E	C	-2.6622
1	K	D	-2.5072
2	L	D	0.0505
3	V	D	2.1063
4	F	D	0.0000
5	F	D	1.4505
6	A	D	0.0000
7	E	D	-3.1211
1	K	E	-2.4539
2	L	E	-0.4485
3	V	E	2.3390
4	F	E	0.0000
5	F	E	2.3606
6	A	E	0.0000
7	E	E	-2.8715
1	K	F	-1.4445
2	L	F	0.0000
3	V	F	0.0000
4	F	F	0.0000
5	F	F	0.0000
6	A	F	0.0000
7	E	F	-3.8458
1	K	G	-3.0792
2	L	G	-1.3268
3	V	G	0.0000
4	F	G	1.1394
5	F	G	1.2150
6	A	G	0.0000
7	E	G	-2.1327
1	K	H	-1.4828
2	L	H	-0.0945
3	V	H	0.0000
4	F	H	0.8485
5	F	H	0.0000
6	A	H	0.0000
7	E	H	-3.3390
1	K	I	-3.9218
2	L	I	-2.0765
3	V	I	-0.6523
4	F	I	0.0000
5	F	I	1.0969
6	A	I	0.0000
7	E	I	-2.9667
1	K	J	-2.4859
2	L	J	0.0000
3	V	J	0.0000
4	F	J	0.0000
5	F	J	-0.4475
6	A	J	0.0000
7	E	J	-3.4422
1	K	K	-2.3083
2	L	K	0.0000
3	V	K	1.0839
4	F	K	1.7133
5	F	K	-0.1236
6	A	K	-1.9265
7	E	K	-3.5182
1	K	L	-3.4286
2	L	L	-1.5553
3	V	L	0.0000
4	F	L	0.0000
5	F	L	0.7930
6	A	L	0.0000
7	E	L	-3.1198
1	K	M	-2.7409
2	L	M	0.0000
3	V	M	0.9777
4	F	M	0.0000
5	F	M	-0.4295
6	A	M	0.0000
7	E	M	-3.1956
1	K	N	-2.9046
2	L	N	-1.3034
3	V	N	0.6622
4	F	N	0.0000
5	F	N	0.7508
6	A	N	0.0000
7	E	N	-3.1614
1	K	O	-3.1280
2	L	O	0.0000
3	V	O	0.7226
4	F	O	0.0000
5	F	O	0.5946
6	A	O	0.0000
7	E	O	-3.3688
1	K	P	-2.9423
2	L	P	0.0000
3	V	P	1.3562
4	F	P	0.0000
5	F	P	0.8666
6	A	P	0.0000
7	E	P	-3.8341
1	K	Q	-3.2614
2	L	Q	0.0000
3	V	Q	1.3902
4	F	Q	0.0000
5	F	Q	2.0187
6	A	Q	0.0000
7	E	Q	-3.2192
1	K	R	-2.3216
2	L	R	0.0000
3	V	R	1.7229
4	F	R	0.0000
5	F	R	1.5922
6	A	R	0.0000
7	E	R	-3.0991
1	K	S	-2.4081
2	L	S	-0.4218
3	V	S	1.4916
4	F	S	0.0000
5	F	S	1.6956
6	A	S	0.0000
7	E	S	-3.0396
1	K	T	-2.5691
2	L	T	-0.5131
3	V	T	1.7151
4	F	T	2.5473
5	F	T	1.7956
6	A	T	0.0000
7	E	T	-2.8266