Project name: 23af2bbc578af7

Chain sequence(s)	A: IVIVKGHE; C: IVIVKGHE; B: IVIVKGHE; E: IVIVKGHE; D: IVIVKGHE; G: IVIVKGHE; F: IVIVKGHE; I: IVIVKGHE; H: IVIVKGHE; K: IVIVKGHE; J: IVIVKGHE; M: IVIVKGHE; L: IVIVKGHE; O: IVIVKGHE; N: IVIVKGHE; Q: IVIVKGHE; P: IVIVKGHE; S: IVIVKGHE; R: IVIVKGHE; T: IVIVKGHE
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T
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                                          (00:06:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:41)

• Minimal score value: -4.1023
• Maximal score value: 4.5363
• Average score: -0.4803
• Total score value: -76.8402

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	1.1517
2	V	A	0.0000
3	I	A	1.0603
4	V	A	0.0000
5	K	A	-1.3596
6	G	A	0.0000
7	H	A	-2.8039
8	E	A	-3.4748
1	I	B	1.1815
2	V	B	0.0000
3	I	B	0.7076
4	V	B	0.0000
5	K	B	-1.2174
6	G	B	0.0000
7	H	B	-2.8704
8	E	B	-3.4383
1	I	C	1.7475
2	V	C	0.0000
3	I	C	1.1920
4	V	C	0.0000
5	K	C	-2.0353
6	G	C	0.0000
7	H	C	-2.8273
8	E	C	-2.7199
1	I	D	1.3440
2	V	D	0.0000
3	I	D	1.0425
4	V	D	0.0000
5	K	D	-1.9488
6	G	D	0.0000
7	H	D	-3.1878
8	E	D	-3.6684
1	I	E	1.0283
2	V	E	0.0000
3	I	E	0.8405
4	V	E	0.0000
5	K	E	-1.6575
6	G	E	0.0000
7	H	E	-2.9125
8	E	E	-3.4602
1	I	F	0.8464
2	V	F	0.0000
3	I	F	0.8794
4	V	F	0.0000
5	K	F	-1.3896
6	G	F	0.0000
7	H	F	-2.6145
8	E	F	-3.3610
1	I	G	0.9416
2	V	G	0.0000
3	I	G	0.6915
4	V	G	0.0000
5	K	G	-1.4407
6	G	G	0.0000
7	H	G	-2.6621
8	E	G	-3.1564
1	I	H	1.1203
2	V	H	0.0000
3	I	H	0.8129
4	V	H	0.0000
5	K	H	-1.7263
6	G	H	0.0000
7	H	H	-2.8885
8	E	H	-3.2641
1	I	I	1.5068
2	V	I	0.0000
3	I	I	1.3966
4	V	I	0.0000
5	K	I	-1.9295
6	G	I	0.0000
7	H	I	-3.3193
8	E	I	-3.4306
1	I	J	1.9367
2	V	J	1.5393
3	I	J	1.7444
4	V	J	0.2266
5	K	J	-1.9442
6	G	J	-1.7894
7	H	J	-2.3469
8	E	J	-2.5773
1	I	K	3.3257
2	V	K	3.8755
3	I	K	3.0530
4	V	K	1.7137
5	K	K	-1.3255
6	G	K	-2.1661
7	H	K	-3.1822
8	E	K	-3.1640
1	I	L	2.5042
2	V	L	0.0000
3	I	L	2.2978
4	V	L	0.0000
5	K	L	-1.1848
6	G	L	0.0000
7	H	L	-3.0051
8	E	L	-3.2879
1	I	M	1.4625
2	V	M	0.0000
3	I	M	1.2964
4	V	M	0.0000
5	K	M	-1.5136
6	G	M	0.0000
7	H	M	-2.1765
8	E	M	-2.6688
1	I	N	1.1558
2	V	N	0.0000
3	I	N	0.9669
4	V	N	0.0000
5	K	N	-1.3475
6	G	N	0.0000
7	H	N	-2.0718
8	E	N	-2.6994
1	I	O	1.1741
2	V	O	0.0000
3	I	O	0.9161
4	V	O	0.0000
5	K	O	-1.1631
6	G	O	0.0000
7	H	O	-2.1685
8	E	O	-2.6473
1	I	P	1.2863
2	V	P	0.0000
3	I	P	0.8992
4	V	P	0.0000
5	K	P	-1.1655
6	G	P	0.0000
7	H	P	-2.6265
8	E	P	-3.2629
1	I	Q	1.2320
2	V	Q	0.0000
3	I	Q	0.9105
4	V	Q	0.0000
5	K	Q	-1.1692
6	G	Q	0.0000
7	H	Q	-2.5755
8	E	Q	-3.2858
1	I	R	2.2156
2	V	R	1.7257
3	I	R	1.4766
4	V	R	0.2567
5	K	R	-1.3603
6	G	R	-1.8403
7	H	R	-3.1051
8	E	R	-3.8245
1	I	S	4.1439
2	V	S	4.1522
3	I	S	2.8834
4	V	S	1.0236
5	K	S	-1.3551
6	G	S	-2.5514
7	H	S	-3.6273
8	E	S	-4.1023
1	I	T	4.2226
2	V	T	4.5363
3	I	T	3.5214
4	V	T	1.5968
5	K	T	-1.4216
6	G	T	-2.2292
7	H	T	-3.5131
8	E	T	-3.3929