Project name: c628470a76aa2f0

Chain sequence(s)	A: FYGHKYF; C: FYGHKYF; B: FYGHKYF; E: FYGHKYF; D: FYGHKYF; G: FYGHKYF; F: FYGHKYF; I: FYGHKYF; H: FYGHKYF; K: FYGHKYF; J: FYGHKYF; M: FYGHKYF; L: FYGHKYF; O: FYGHKYF; N: FYGHKYF; Q: FYGHKYF; P: FYGHKYF; S: FYGHKYF; R: FYGHKYF; T: FYGHKYF
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                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:08)

• Minimal score value: -1.4086
• Maximal score value: 4.405
• Average score: 1.6418
• Total score value: 229.8576

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	3.7917
2	Y	A	2.5165
3	G	A	0.0000
4	H	A	-0.7679
5	K	A	-0.4922
6	Y	A	1.5637
7	F	A	3.7443
1	F	B	3.1955
2	Y	B	2.2474
3	G	B	0.3430
4	H	B	-1.0531
5	K	B	-1.4086
6	Y	B	0.9380
7	F	B	2.8749
1	F	C	3.9235
2	Y	C	2.9911
3	G	C	0.0000
4	H	C	-0.3021
5	K	C	-0.3710
6	Y	C	1.8060
7	F	C	3.9022
1	F	D	3.9101
2	Y	D	2.9428
3	G	D	0.0000
4	H	D	-0.0746
5	K	D	-0.2091
6	Y	D	1.9592
7	F	D	3.9627
1	F	E	3.9648
2	Y	E	2.9129
3	G	E	0.0000
4	H	E	-0.0942
5	K	E	-0.1135
6	Y	E	1.9988
7	F	E	3.9022
1	F	F	3.9221
2	Y	F	2.9109
3	G	F	0.0000
4	H	F	-0.1221
5	K	F	-0.2182
6	Y	F	1.9765
7	F	F	3.9647
1	F	G	3.9991
2	Y	G	3.0069
3	G	G	0.0000
4	H	G	-0.1171
5	K	G	-0.1815
6	Y	G	1.9464
7	F	G	3.9003
1	F	H	3.9822
2	Y	H	2.9589
3	G	H	0.0000
4	H	H	-0.1385
5	K	H	-0.2115
6	Y	H	1.9295
7	F	H	3.8938
1	F	I	3.9259
2	Y	I	2.9223
3	G	I	0.0000
4	H	I	-0.1275
5	K	I	-0.2258
6	Y	I	1.9514
7	F	I	3.9395
1	F	J	3.9683
2	Y	J	2.9446
3	G	J	0.0000
4	H	J	-0.1084
5	K	J	-0.2012
6	Y	J	1.8997
7	F	J	3.8746
1	F	K	3.8341
2	Y	K	2.8511
3	G	K	0.0000
4	H	K	-0.1138
5	K	K	-0.1564
6	Y	K	1.9931
7	F	K	3.9020
1	F	L	3.5750
2	Y	L	2.6660
3	G	L	0.0000
4	H	L	-0.0325
5	K	L	-0.0130
6	Y	L	1.9289
7	F	L	3.4377
1	F	M	3.8120
2	Y	M	2.8185
3	G	M	0.0000
4	H	M	0.0000
5	K	M	-0.1586
6	Y	M	0.0000
7	F	M	3.6807
1	F	N	3.6485
2	Y	N	0.0000
3	G	N	0.0000
4	H	N	0.0000
5	K	N	-0.0094
6	Y	N	1.8322
7	F	N	3.7843
1	F	O	4.4050
2	Y	O	3.8780
3	G	O	0.0000
4	H	O	-0.1949
5	K	O	0.1036
6	Y	O	2.2491
7	F	O	3.8890
1	F	P	3.7956
2	Y	P	3.0705
3	G	P	0.0000
4	H	P	0.0939
5	K	P	0.0000
6	Y	P	2.2389
7	F	P	3.5390
1	F	Q	2.9607
2	Y	Q	2.2792
3	G	Q	0.7411
4	H	Q	-0.6288
5	K	Q	-0.8233
6	Y	Q	1.4547
7	F	Q	2.8321
1	F	R	4.1377
2	Y	R	3.3025
3	G	R	0.0000
4	H	R	-0.4242
5	K	R	-0.1935
6	Y	R	1.8803
7	F	R	3.8480
1	F	S	3.4215
2	Y	S	3.0746
3	G	S	0.6242
4	H	S	-0.9325
5	K	S	-0.8951
6	Y	S	2.1577
7	F	S	3.3461
1	F	T	3.1340
2	Y	T	2.3760
3	G	T	0.6042
4	H	T	-0.5038
5	K	T	-0.0610
6	Y	T	1.9618
7	F	T	3.1645