Project name: Q11_4

Chain sequence(s)	A: QQKFQFQFEQQ; C: QQKFQFQFEQQ; B: QQKFQFQFEQQ; D: QQKFQFQFEQQ
Selected Chain(s)	A,C,B,D
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                                          (00:01:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:38)

• Minimal score value: -3.4642
• Maximal score value: 1.9919
• Average score: -1.063
• Total score value: -46.7733

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	-3.2381
2	Q	A	-2.4338
3	K	A	-1.7371
4	F	A	0.5360
5	Q	A	0.7976
6	F	A	1.6953
7	Q	A	0.5583
8	F	A	0.1800
9	E	A	-1.9793
10	Q	A	-2.6784
11	Q	A	-3.2838
1	Q	B	-2.7409
2	Q	B	-2.6677
3	K	B	-1.6668
4	F	B	0.9360
5	Q	B	0.3158
6	F	B	1.9919
7	Q	B	0.4302
8	F	B	0.7895
9	E	B	-1.7380
10	Q	B	-2.6685
11	Q	B	-2.7065
1	Q	C	-2.8018
2	Q	C	-2.8224
3	K	C	-2.0268
4	F	C	0.8964
5	Q	C	0.3977
6	F	C	1.8409
7	Q	C	-0.1048
8	F	C	0.1109
9	E	C	-2.1529
10	Q	C	-2.9260
11	Q	C	-2.7951
1	Q	D	-3.4642
2	Q	D	-2.8420
3	K	D	-2.1387
4	F	D	0.0016
5	Q	D	0.4371
6	F	D	1.6584
7	Q	D	0.7188
8	F	D	0.3491
9	E	D	-1.9526
10	Q	D	-2.6288
11	Q	D	-3.2198