Project name: 94206f8721f86

Chain sequence(s)	A: KGHKGHG; C: KGHKGHG; B: KGHKGHG; E: KGHKGHG; D: KGHKGHG; G: KGHKGHG; F: KGHKGHG; I: KGHKGHG; H: KGHKGHG; K: KGHKGHG; J: KGHKGHG; M: KGHKGHG; L: KGHKGHG; O: KGHKGHG; N: KGHKGHG; Q: KGHKGHG; P: KGHKGHG; S: KGHKGHG; R: KGHKGHG; T: KGHKGHG
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]                                                (00:00:00)
[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                                          (00:06:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:51)

• Minimal score value: -3.5855
• Maximal score value: 0.0
• Average score: -1.9275
• Total score value: -269.8441

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	K	A	-3.1432
2	G	A	-2.9408
3	H	A	0.0000
4	K	A	-2.7651
5	G	A	0.0000
6	H	A	-1.7071
7	G	A	-1.9699
1	K	B	-3.1065
2	G	B	-2.8164
3	H	B	0.0000
4	K	B	-2.8833
5	G	B	0.0000
6	H	B	-1.8052
7	G	B	-1.8469
1	K	C	-3.0801
2	G	C	-2.8883
3	H	C	0.0000
4	K	C	-2.8912
5	G	C	0.0000
6	H	C	-1.8942
7	G	C	-2.0098
1	K	D	-3.1341
2	G	D	-3.0373
3	H	D	0.0000
4	K	D	-3.1122
5	G	D	0.0000
6	H	D	-1.9964
7	G	D	-2.2367
1	K	E	-2.6663
2	G	E	-2.6444
3	H	E	-2.8407
4	K	E	-3.0963
5	G	E	-2.6961
6	H	E	-2.1742
7	G	E	-2.4488
1	K	F	-2.9280
2	G	F	-2.5894
3	H	F	-2.8896
4	K	F	-3.0170
5	G	F	-2.7541
6	H	F	-2.2697
7	G	F	-1.9904
1	K	G	-3.4459
2	G	G	-3.0324
3	H	G	0.0000
4	K	G	-2.5564
5	G	G	0.0000
6	H	G	-2.1044
7	G	G	-2.3188
1	K	H	-3.3344
2	G	H	-2.7619
3	H	H	0.0000
4	K	H	-2.3590
5	G	H	0.0000
6	H	H	-1.7564
7	G	H	-2.0566
1	K	I	-2.9306
2	G	I	-2.7596
3	H	I	0.0000
4	K	I	-2.6032
5	G	I	0.0000
6	H	I	-1.5396
7	G	I	0.0000
1	K	J	-3.1211
2	G	J	-2.6412
3	H	J	0.0000
4	K	J	-2.7195
5	G	J	0.0000
6	H	J	-1.6501
7	G	J	-2.1841
1	K	K	-2.8690
2	G	K	-2.6443
3	H	K	0.0000
4	K	K	-2.7269
5	G	K	0.0000
6	H	K	-1.7678
7	G	K	-2.2593
1	K	L	-3.2997
2	G	L	-2.8973
3	H	L	0.0000
4	K	L	-3.2446
5	G	L	-2.7356
6	H	L	-1.8665
7	G	L	-2.1080
1	K	M	-3.3925
2	G	M	-2.9644
3	H	M	0.0000
4	K	M	-3.0210
5	G	M	0.0000
6	H	M	-1.6465
7	G	M	-1.7654
1	K	N	-3.5486
2	G	N	-3.0286
3	H	N	0.0000
4	K	N	-2.8095
5	G	N	0.0000
6	H	N	-1.6770
7	G	N	0.0000
1	K	O	-3.5855
2	G	O	-3.5550
3	H	O	0.0000
4	K	O	-3.3199
5	G	O	0.0000
6	H	O	-2.1249
7	G	O	0.0000
1	K	P	-2.9831
2	G	P	-3.2534
3	H	P	-3.2138
4	K	P	-3.3230
5	G	P	-2.5140
6	H	P	-2.1917
7	G	P	-1.9338
1	K	Q	-2.7060
2	G	Q	-2.5923
3	H	Q	0.0000
4	K	Q	-2.7393
5	G	Q	0.0000
6	H	Q	-2.3452
7	G	Q	-2.6809
1	K	R	-2.8422
2	G	R	-2.6206
3	H	R	0.0000
4	K	R	-2.3072
5	G	R	0.0000
6	H	R	-1.9265
7	G	R	-2.3698
1	K	S	-2.5756
2	G	S	-2.4446
3	H	S	0.0000
4	K	S	-2.6479
5	G	S	0.0000
6	H	S	-1.6833
7	G	S	0.0000
1	K	T	-2.9021
2	G	T	-2.7283
3	H	T	0.0000
4	K	T	-2.9611
5	G	T	-2.4914
6	H	T	-1.8172
7	G	T	-2.0471