Project name: d469ae9383740dd

Chain sequence(s)	A: GSGHKFF; C: GSGHKFF; B: GSGHKFF; E: GSGHKFF; D: GSGHKFF; G: GSGHKFF; F: GSGHKFF; I: GSGHKFF; H: GSGHKFF; K: GSGHKFF; J: GSGHKFF; M: GSGHKFF; L: GSGHKFF; O: GSGHKFF; N: GSGHKFF; Q: GSGHKFF; P: GSGHKFF; S: GSGHKFF; R: GSGHKFF; T: GSGHKFF
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                                          (00:05:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:36)

• Minimal score value: -1.6171
• Maximal score value: 3.4911
• Average score: -0.0311
• Total score value: -4.3586

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	G	A	-1.0675
2	S	A	-0.8193
3	G	A	-0.9661
4	H	A	0.0000
5	K	A	-0.1288
6	F	A	1.6104
7	F	A	3.4911
1	G	B	-1.0747
2	S	B	-0.8811
3	G	B	-1.0275
4	H	B	0.0000
5	K	B	-0.4509
6	F	B	0.0000
7	F	B	3.3245
1	G	C	-1.0880
2	S	C	-0.9238
3	G	C	-1.3384
4	H	C	0.0000
5	K	C	-0.7868
6	F	C	0.0000
7	F	C	2.6254
1	G	D	-1.0699
2	S	D	-0.8260
3	G	D	-0.9566
4	H	D	0.0000
5	K	D	-0.1542
6	F	D	0.0000
7	F	D	3.4147
1	G	E	-1.0803
2	S	E	-0.8399
3	G	E	-0.9453
4	H	E	0.0000
5	K	E	-0.1831
6	F	E	0.0000
7	F	E	3.1855
1	G	F	-1.0788
2	S	F	-0.8474
3	G	F	-0.9515
4	H	F	0.0000
5	K	F	-0.1224
6	F	F	0.0000
7	F	F	3.1911
1	G	G	-1.0939
2	S	G	-0.8482
3	G	G	-0.9714
4	H	G	0.0000
5	K	G	-0.3125
6	F	G	0.0000
7	F	G	3.1939
1	G	H	-1.0964
2	S	H	-1.0110
3	G	H	-1.3827
4	H	H	0.0000
5	K	H	-0.3312
6	F	H	0.0000
7	F	H	3.2126
1	G	I	-0.9037
2	S	I	-1.0226
3	G	I	-1.4527
4	H	I	-1.4044
5	K	I	-0.8550
6	F	I	1.7876
7	F	I	3.0530
1	G	J	-0.8887
2	S	J	-0.9579
3	G	J	-1.2812
4	H	J	-1.3499
5	K	J	-0.9006
6	F	J	1.0471
7	F	J	2.6465
1	G	K	-1.0769
2	S	K	-0.9676
3	G	K	-1.2844
4	H	K	0.0000
5	K	K	-0.5469
6	F	K	0.0000
7	F	K	2.9549
1	G	L	-1.0339
2	S	L	-0.8544
3	G	L	-1.0178
4	H	L	0.0000
5	K	L	-0.3968
6	F	L	0.0000
7	F	L	3.3185
1	G	M	-1.0132
2	S	M	-0.8257
3	G	M	-1.0127
4	H	M	0.0000
5	K	M	-0.3247
6	F	M	0.0000
7	F	M	3.3549
1	G	N	-0.9607
2	S	N	-0.7734
3	G	N	-1.0012
4	H	N	0.0000
5	K	N	-0.3567
6	F	N	0.0000
7	F	N	3.1026
1	G	O	-0.4802
2	S	O	-0.0463
3	G	O	-0.1166
4	H	O	0.0000
5	K	O	-0.3043
6	F	O	0.0000
7	F	O	2.3874
1	G	P	0.1688
2	S	P	0.9427
3	G	P	0.9217
4	H	P	0.0794
5	K	P	-0.2291
6	F	P	0.0000
7	F	P	1.3341
1	G	Q	-0.3609
2	S	Q	-0.0936
3	G	Q	-0.1325
4	H	Q	-0.5306
5	K	Q	-0.5712
6	F	Q	0.0000
7	F	Q	2.4825
1	G	R	-0.9289
2	S	R	-0.8285
3	G	R	-1.4073
4	H	R	-1.4066
5	K	R	-1.4215
6	F	R	0.5630
7	F	R	2.3209
1	G	S	-1.0243
2	S	S	-0.9513
3	G	S	-1.1590
4	H	S	0.0000
5	K	S	-0.7926
6	F	S	0.0000
7	F	S	2.9006
1	G	T	-0.9542
2	S	T	-0.9210
3	G	T	-1.5059
4	H	T	-1.6171
5	K	T	-1.3830
6	F	T	0.7604
7	F	T	2.5514