Project name: IVKGH12

Chain sequence(s)	A: IVKGH; C: IVKGH; B: IVKGH; E: IVKGH; D: IVKGH; G: IVKGH; F: IVKGH; I: IVKGH; H: IVKGH; K: IVKGH; J: IVKGH; L: IVKGH
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                                          (00:04:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:12)

• Minimal score value: -2.7552
• Maximal score value: 4.1514
• Average score: 0.0386
• Total score value: 2.3162

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	3.0328
2	V	A	0.5747
3	K	A	-2.0378
4	G	A	-2.5761
5	H	A	-2.4432
1	I	B	3.7908
2	V	B	1.8740
3	K	B	-1.3587
4	G	B	-2.0544
5	H	B	-2.7552
1	I	C	4.1514
2	V	C	2.2512
3	K	C	-0.6052
4	G	C	-1.0753
5	H	C	-1.8944
1	I	D	3.5823
2	V	D	1.5888
3	K	D	-0.9375
4	G	D	-1.2722
5	H	D	-2.0471
1	I	E	3.0348
2	V	E	1.7570
3	K	E	-1.1224
4	G	E	-1.0627
5	H	E	-1.4077
1	I	F	3.3800
2	V	F	1.1831
3	K	F	-1.1282
4	G	F	-1.2845
5	H	F	-1.8436
1	I	G	3.7950
2	V	G	1.4851
3	K	G	-1.1732
4	G	G	-1.5320
5	H	G	-1.6653
1	I	H	3.6781
2	V	H	1.8022
3	K	H	-1.0764
4	G	H	-1.6174
5	H	H	-2.3438
1	I	I	3.4302
2	V	I	1.5629
3	K	I	-1.4906
4	G	I	-1.8386
5	H	I	-2.3306
1	I	J	3.3651
2	V	J	1.5698
3	K	J	-1.0808
4	G	J	-1.4902
5	H	J	-1.6376
1	I	K	3.3285
2	V	K	1.6052
3	K	K	-1.1122
4	G	K	-1.2495
5	H	K	-1.7061
1	I	L	2.7581
2	V	L	1.1236
3	K	L	-1.5834
4	G	L	-1.7360
5	H	L	-1.8186