Project name: Sup35_20

Chain sequence(s)	A: GNNQQNY; C: GNNQQNY; B: GNNQQNY; E: GNNQQNY; D: GNNQQNY; G: GNNQQNY; F: GNNQQNY; I: GNNQQNY; H: GNNQQNY; K: GNNQQNY; J: GNNQQNY; M: GNNQQNY; L: GNNQQNY; O: GNNQQNY; N: GNNQQNY; Q: GNNQQNY; P: GNNQQNY; S: GNNQQNY; R: GNNQQNY; T: GNNQQNY
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                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)

• Minimal score value: -3.9192
• Maximal score value: 1.9259
• Average score: -1.3848
• Total score value: -193.8686

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	-1.9836
2	N	A	-2.7537
3	N	A	-3.0227
4	Q	A	-2.8107
5	Q	A	-1.9228
6	N	A	-0.8101
7	Y	A	1.3233
1	G	B	-1.9640
2	N	B	-2.3814
3	N	B	-2.4526
4	Q	B	-2.4707
5	Q	B	-1.4405
6	N	B	-0.2170
7	Y	B	1.5954
1	G	C	-1.9115
2	N	C	-2.2387
3	N	C	-2.2231
4	Q	C	-2.1700
5	Q	C	-1.1803
6	N	C	-0.1252
7	Y	C	1.9259
1	G	D	-1.8648
2	N	D	-2.1517
3	N	D	-2.2847
4	Q	D	-2.3946
5	Q	D	-1.5769
6	N	D	-0.5705
7	Y	D	1.2994
1	G	E	-2.2051
2	N	E	-2.5375
3	N	E	-2.4463
4	Q	E	-2.5445
5	Q	E	-2.1657
6	N	E	-1.4443
7	Y	E	0.7348
1	G	F	-1.9935
2	N	F	-2.4205
3	N	F	-2.9155
4	Q	F	-2.5896
5	Q	F	-1.7696
6	N	F	-1.0237
7	Y	F	1.0810
1	G	G	-2.0443
2	N	G	0.0000
3	N	G	-2.6899
4	Q	G	-2.6027
5	Q	G	-1.5553
6	N	G	-0.5082
7	Y	G	1.4576
1	G	H	-1.8293
2	N	H	-2.2714
3	N	H	-2.3023
4	Q	H	-2.2165
5	Q	H	-1.3238
6	N	H	-0.2216
7	Y	H	1.5911
1	G	I	-1.7497
2	N	I	-2.1602
3	N	I	-2.1023
4	Q	I	-2.1195
5	Q	I	-1.6002
6	N	I	-0.5112
7	Y	I	1.2579
1	G	J	-1.7093
2	N	J	0.0000
3	N	J	-1.7808
4	Q	J	0.0000
5	Q	J	-1.0410
6	N	J	-0.1620
7	Y	J	1.4101
1	G	K	-1.7475
2	N	K	-1.8524
3	N	K	-1.6754
4	Q	K	-1.4315
5	Q	K	-0.5790
6	N	K	0.2670
7	Y	K	1.7431
1	G	L	-1.8976
2	N	L	0.0000
3	N	L	-1.7099
4	Q	L	0.0000
5	Q	L	-0.4897
6	N	L	0.3041
7	Y	L	1.8449
1	G	M	-2.1382
2	N	M	-2.3120
3	N	M	-2.1184
4	Q	M	-1.7312
5	Q	M	-0.7158
6	N	M	0.3135
7	Y	M	1.8262
1	G	N	-2.1995
2	N	N	-2.3784
3	N	N	-2.4097
4	Q	N	-1.8621
5	Q	N	-0.6889
6	N	N	0.2343
7	Y	N	1.8197
1	G	O	-2.3064
2	N	O	-2.6153
3	N	O	-2.4965
4	Q	O	-2.0149
5	Q	O	-0.7326
6	N	O	0.1641
7	Y	O	1.6821
1	G	P	-2.4341
2	N	P	-2.4971
3	N	P	-2.8061
4	Q	P	-2.7228
5	Q	P	-1.7924
6	N	P	-0.6403
7	Y	P	1.1650
1	G	Q	-2.2723
2	N	Q	-2.8865
3	N	Q	-3.1840
4	Q	Q	-3.3313
5	Q	Q	-2.5883
6	N	Q	-1.7270
7	Y	Q	0.5614
1	G	R	-2.1769
2	N	R	-2.7563
3	N	R	-3.3305
4	Q	R	-2.8312
5	Q	R	-2.3908
6	N	R	-1.1548
7	Y	R	0.9269
1	G	S	-2.4701
2	N	S	-3.1052
3	N	S	-3.5284
4	Q	S	-3.6239
5	Q	S	-2.3717
6	N	S	-1.0215
7	Y	S	1.0709
1	G	T	-2.3334
2	N	T	-3.1902
3	N	T	-3.6317
4	Q	T	-3.9192
5	Q	T	-2.4776
6	N	T	-1.5517
7	Y	T	0.8610