Project name: Q11_12

Chain sequence(s)	A: QQKFQFQFEQQ; C: QQKFQFQFEQQ; B: QQKFQFQFEQQ; E: QQKFQFQFEQQ; D: QQKFQFQFEQQ; G: QQKFQFQFEQQ; F: QQKFQFQFEQQ; I: QQKFQFQFEQQ; H: QQKFQFQFEQQ; K: QQKFQFQFEQQ; J: QQKFQFQFEQQ; L: QQKFQFQFEQQ
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                                          (00:05:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:46)

• Minimal score value: -3.1503
• Maximal score value: 1.2178
• Average score: -1.5361
• Total score value: -202.7594

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	Q	A	-2.8335
2	Q	A	0.0000
3	K	A	-2.1629
4	F	A	0.0000
5	Q	A	-1.1509
6	F	A	0.0000
7	Q	A	-1.1932
8	F	A	0.0000
9	E	A	-2.4525
10	Q	A	-2.3055
11	Q	A	-2.6476
1	Q	B	-2.4772
2	Q	B	0.0000
3	K	B	-2.4969
4	F	B	0.0000
5	Q	B	-1.3969
6	F	B	0.0000
7	Q	B	-1.2246
8	F	B	0.0000
9	E	B	-2.6058
10	Q	B	-2.6472
11	Q	B	-2.8812
1	Q	C	-2.3422
2	Q	C	-2.2948
3	K	C	-2.5991
4	F	C	-0.7306
5	Q	C	-0.7943
6	F	C	1.2178
7	Q	C	-0.1047
8	F	C	-0.2806
9	E	C	-2.2027
10	Q	C	-2.6871
11	Q	C	-2.5949
1	Q	D	-3.0648
2	Q	D	-2.3591
3	K	D	-2.0719
4	F	D	0.0000
5	Q	D	-0.6232
6	F	D	0.0196
7	Q	D	-1.1670
8	F	D	0.0000
9	E	D	-2.6355
10	Q	D	-2.3238
11	Q	D	-2.6569
1	Q	E	-2.5447
2	Q	E	-2.1967
3	K	E	-2.3489
4	F	E	0.0000
5	Q	E	-1.5733
6	F	E	0.0000
7	Q	E	-1.0536
8	F	E	0.0000
9	E	E	-1.9625
10	Q	E	-2.3473
11	Q	E	-2.8409
1	Q	F	-2.8042
2	Q	F	0.0000
3	K	F	-1.9513
4	F	F	0.0000
5	Q	F	-0.9675
6	F	F	0.0000
7	Q	F	-1.2333
8	F	F	0.0000
9	E	F	-2.4243
10	Q	F	-2.4917
11	Q	F	-2.8110
1	Q	G	-3.1503
2	Q	G	-2.5903
3	K	G	-2.4767
4	F	G	0.0000
5	Q	G	-0.8883
6	F	G	0.0000
7	Q	G	-0.7914
8	F	G	0.0000
9	E	G	-2.2177
10	Q	G	-2.2956
11	Q	G	-2.7585
1	Q	H	-2.3810
2	Q	H	-2.2819
3	K	H	-2.2345
4	F	H	-0.3428
5	Q	H	-0.6688
6	F	H	0.6805
7	Q	H	-0.6396
8	F	H	-0.6032
9	E	H	-2.3370
10	Q	H	-2.8122
11	Q	H	-2.6646
1	Q	I	-2.6194
2	Q	I	-2.2901
3	K	I	-2.6610
4	F	I	-0.7539
5	Q	I	-1.3586
6	F	I	-0.2668
7	Q	I	-1.5585
8	F	I	-1.1868
9	E	I	-2.8242
10	Q	I	-2.0424
11	Q	I	-2.2319
1	Q	J	-2.7101
2	Q	J	-2.3985
3	K	J	-2.7029
4	F	J	-0.6292
5	Q	J	-1.4352
6	F	J	-0.4159
7	Q	J	-1.7521
8	F	J	-1.2733
9	E	J	-2.9393
10	Q	J	-2.2071
11	Q	J	-2.4420
1	Q	K	-2.9789
2	Q	K	0.0000
3	K	K	-2.6518
4	F	K	0.0000
5	Q	K	-1.4199
6	F	K	0.0000
7	Q	K	-1.2820
8	F	K	0.0000
9	E	K	-2.6811
10	Q	K	-2.7544
11	Q	K	-2.9765
1	Q	L	-2.8621
2	Q	L	-2.5217
3	K	L	-2.3078
4	F	L	0.0000
5	Q	L	-1.0722
6	F	L	0.0000
7	Q	L	-1.1538
8	F	L	0.0000
9	E	L	-2.4348
10	Q	L	-2.4084
11	Q	L	-2.7780