Project name: IVIVKGH12

Chain sequence(s)	A: IVIVKGH; C: IVIVKGH; B: IVIVKGH; E: IVIVKGH; D: IVIVKGH; G: IVIVKGH; F: IVIVKGH; I: IVIVKGH; H: IVIVKGH; K: IVIVKGH; J: IVIVKGH; L: IVIVKGH
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]                                                (00:00:01)
[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                                          (00:02:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:37)

• Minimal score value: -3.0771
• Maximal score value: 4.6748
• Average score: 0.0674
• Total score value: 5.6579

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	I	A	4.5081
2	V	A	3.6529
3	I	A	2.0369
4	V	A	-0.3741
5	K	A	-2.7213
6	G	A	-3.0771
7	H	A	-2.6363
1	I	B	4.2933
2	V	B	3.6085
3	I	B	1.8081
4	V	B	-0.5127
5	K	B	-2.8536
6	G	B	-2.9884
7	H	B	-2.6988
1	I	C	4.5060
2	V	C	3.5702
3	I	C	1.7173
4	V	C	-0.5652
5	K	C	-2.8605
6	G	C	-3.0005
7	H	C	-2.6498
1	I	D	4.5588
2	V	D	3.5966
3	I	D	1.7067
4	V	D	-0.5893
5	K	D	-2.8375
6	G	D	-2.9149
7	H	D	-2.6624
1	I	E	4.6050
2	V	E	3.8240
3	I	E	1.7550
4	V	E	-0.5853
5	K	E	-2.7894
6	G	E	-2.8360
7	H	E	-2.5874
1	I	F	4.5514
2	V	F	0.0000
3	I	F	1.5943
4	V	F	-0.6407
5	K	F	-2.7336
6	G	F	-2.6758
7	H	F	-2.5527
1	I	G	4.5252
2	V	G	3.8044
3	I	G	1.4657
4	V	G	-0.6671
5	K	G	-2.8308
6	G	G	-2.7833
7	H	G	-2.5899
1	I	H	4.5431
2	V	H	3.5511
3	I	H	1.5139
4	V	H	-0.6384
5	K	H	-2.7347
6	G	H	-2.7417
7	H	H	-2.5299
1	I	I	4.5049
2	V	I	3.4855
3	I	I	1.4271
4	V	I	-0.6574
5	K	I	-2.8423
6	G	I	-2.7288
7	H	I	-2.5612
1	I	J	4.5808
2	V	J	3.9352
3	I	J	1.7070
4	V	J	-0.5854
5	K	J	-2.7445
6	G	J	-2.9215
7	H	J	-2.6154
1	I	K	4.6748
2	V	K	3.7819
3	I	K	2.0082
4	V	K	-0.4546
5	K	K	-2.7820
6	G	K	-3.0691
7	H	K	-2.5909
1	I	L	4.3909
2	V	L	0.0000
3	I	L	2.1716
4	V	L	-0.3932
5	K	L	-2.7660
6	G	L	-3.0221
7	H	L	-2.7130