Project name: a92b9b29383dc68

Chain sequence(s)	A: FGGHKGG; C: FGGHKGG; B: FGGHKGG; E: FGGHKGG; D: FGGHKGG; G: FGGHKGG; F: FGGHKGG; I: FGGHKGG; H: FGGHKGG; K: FGGHKGG; J: FGGHKGG; M: FGGHKGG; L: FGGHKGG; O: FGGHKGG; N: FGGHKGG; Q: FGGHKGG; P: FGGHKGG; S: FGGHKGG; R: FGGHKGG; T: FGGHKGG
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                                          (00:04:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:15)

• Minimal score value: -4.0581
• Maximal score value: 2.4793
• Average score: -0.8283
• Total score value: -115.9636

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	F	A	0.0602
2	G	A	-0.2145
3	G	A	-0.9727
4	H	A	0.0000
5	K	A	-2.8876
6	G	A	0.0000
7	G	A	-1.5023
1	F	B	0.6243
2	G	B	-0.1443
3	G	B	-0.9909
4	H	B	0.0000
5	K	B	-2.8352
6	G	B	0.0000
7	G	B	-1.1675
1	F	C	1.6127
2	G	C	0.2624
3	G	C	-0.9010
4	H	C	-2.3164
5	K	C	-3.5474
6	G	C	-2.2177
7	G	C	-1.3857
1	F	D	2.4793
2	G	D	0.7631
3	G	D	-0.9803
4	H	D	-2.6018
5	K	D	-4.0581
6	G	D	-2.7783
7	G	D	-1.8644
1	F	E	2.3155
2	G	E	0.7922
3	G	E	-0.8398
4	H	E	-2.3261
5	K	E	-3.5649
6	G	E	-2.1570
7	G	E	-1.4574
1	F	F	1.3657
2	G	F	0.4066
3	G	F	-0.6002
4	H	F	0.0000
5	K	F	-2.6023
6	G	F	-1.3150
7	G	F	-1.0774
1	F	G	0.1947
2	G	G	-0.2286
3	G	G	-0.9525
4	H	G	0.0000
5	K	G	-3.1441
6	G	G	0.0000
7	G	G	-1.2197
1	F	H	0.5911
2	G	H	0.0254
3	G	H	-0.9526
4	H	H	0.0000
5	K	H	-2.9349
6	G	H	0.0000
7	G	H	-1.4202
1	F	I	0.1846
2	G	I	-0.2921
3	G	I	-1.0493
4	H	I	0.0000
5	K	I	-3.1220
6	G	I	0.0000
7	G	I	-1.3653
1	F	J	0.0460
2	G	J	-0.2464
3	G	J	-1.0780
4	H	J	0.0000
5	K	J	-3.0495
6	G	J	0.0000
7	G	J	-1.4022
1	F	K	0.0624
2	G	K	-0.2394
3	G	K	-1.0396
4	H	K	0.0000
5	K	K	-3.1211
6	G	K	0.0000
7	G	K	-1.3606
1	F	L	0.5977
2	G	L	0.1751
3	G	L	-0.7367
4	H	L	0.0000
5	K	L	-2.7524
6	G	L	0.0000
7	G	L	-1.2863
1	F	M	0.2731
2	G	M	-0.0577
3	G	M	-0.7585
4	H	M	0.0000
5	K	M	-2.7275
6	G	M	0.0000
7	G	M	-1.2881
1	F	N	0.5904
2	G	N	0.2164
3	G	N	-0.6277
4	H	N	0.0000
5	K	N	-2.5517
6	G	N	-1.5914
7	G	N	-1.0977
1	F	O	1.4252
2	G	O	0.2228
3	G	O	-0.6957
4	H	O	-1.9128
5	K	O	-2.7964
6	G	O	-1.8085
7	G	O	-1.0500
1	F	P	1.4149
2	G	P	0.1900
3	G	P	-0.7479
4	H	P	-1.7005
5	K	P	-2.6799
6	G	P	-1.6181
7	G	P	-0.9098
1	F	Q	0.3244
2	G	Q	-0.0091
3	G	Q	-0.7027
4	H	Q	0.0000
5	K	Q	-2.9195
6	G	Q	0.0000
7	G	Q	-1.4556
1	F	R	-0.0614
2	G	R	-0.1711
3	G	R	-0.8852
4	H	R	0.0000
5	K	R	-2.6959
6	G	R	0.0000
7	G	R	-1.4436
1	F	S	-0.0659
2	G	S	-0.1995
3	G	S	-0.9611
4	H	S	0.0000
5	K	S	-3.0660
6	G	S	0.0000
7	G	S	-1.5024
1	F	T	-0.0975
2	G	T	-0.2050
3	G	T	-0.9797
4	H	T	0.0000
5	K	T	-3.1865
6	G	T	-2.1390
7	G	T	-1.5135