Project name: Sup35_12

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; L: GNNQQNY
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.3362
• Maximal score value: 1.011
• Average score: -1.6617
• Total score value: -139.5856

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	-1.7032
2	N	A	-2.3146
3	N	A	0.0000
4	Q	A	-2.4023
5	Q	A	-1.5275
6	N	A	-1.1329
7	Y	A	0.6517
1	G	B	-1.8315
2	N	B	-2.1372
3	N	B	-2.3811
4	Q	B	-1.8567
5	Q	B	-1.0094
6	N	B	-0.6510
7	Y	B	1.0110
1	G	C	-1.6713
2	N	C	-2.0882
3	N	C	-2.3570
4	Q	C	-2.3482
5	Q	C	-1.5883
6	N	C	-1.3736
7	Y	C	0.6122
1	G	D	-2.0663
2	N	D	-2.4292
3	N	D	-2.7796
4	Q	D	-2.7688
5	Q	D	0.0000
6	N	D	-1.2900
7	Y	D	0.6824
1	G	E	-2.2084
2	N	E	-2.8598
3	N	E	-2.9966
4	Q	E	-2.7968
5	Q	E	-1.8549
6	N	E	-1.1865
7	Y	E	0.6521
1	G	F	-1.9233
2	N	F	-2.7444
3	N	F	-2.7305
4	Q	F	-2.9675
5	Q	F	-1.9000
6	N	F	-1.2542
7	Y	F	0.4095
1	G	G	-2.0386
2	N	G	-2.5557
3	N	G	-2.5367
4	Q	G	-2.1961
5	Q	G	-1.3026
6	N	G	-1.1186
7	Y	G	0.7635
1	G	H	-2.0014
2	N	H	-2.2294
3	N	H	-2.5769
4	Q	H	-2.2551
5	Q	H	-1.6868
6	N	H	-1.0863
7	Y	H	0.7461
1	G	I	-2.1806
2	N	I	-2.4816
3	N	I	-3.0830
4	Q	I	-2.7285
5	Q	I	-1.8983
6	N	I	-1.5483
7	Y	I	0.6003
1	G	J	-2.0473
2	N	J	-2.6359
3	N	J	-3.1097
4	Q	J	-3.3362
5	Q	J	-2.3792
6	N	J	-1.7364
7	Y	J	0.4582
1	G	K	-1.9881
2	N	K	-2.8699
3	N	K	-3.0973
4	Q	K	-3.1950
5	Q	K	0.0000
6	N	K	-1.6050
7	Y	K	0.6168
1	G	L	-1.8647
2	N	L	-2.8081
3	N	L	-3.0167
4	Q	L	-2.8420
5	Q	L	-1.4097
6	N	L	-1.0664
7	Y	L	0.8535