Project name: 2b4ae3a38a6c02f

Chain sequence(s)	A: GNNQQNY; C: GNNQQNY; B: GNNQQNY; E: GNNQQNY; D: GNNQQNY; G: GNNQQNY; F: GNNQQNY; I: GNNQQNY; H: GNNQQNY; K: GNNQQNY; J: GNNQQNY; M: GNNQQNY; L: GNNQQNY; O: GNNQQNY; N: GNNQQNY; Q: GNNQQNY; P: GNNQQNY; S: GNNQQNY; R: GNNQQNY; T: GNNQQNY
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:13)

• Minimal score value: -2.5934
• Maximal score value: 2.4153
• Average score: -0.3884
• Total score value: -54.3776

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	G	A	-1.2701
2	N	A	-1.1975
3	N	A	-1.0037
4	Q	A	0.0000
5	Q	A	0.1043
6	N	A	0.0000
7	Y	A	2.1471
1	G	B	-1.2716
2	N	B	-1.1870
3	N	B	-1.0026
4	Q	B	0.0000
5	Q	B	0.1449
6	N	B	0.0000
7	Y	B	2.0460
1	G	C	-1.2714
2	N	C	-1.1941
3	N	C	-1.0088
4	Q	C	0.0000
5	Q	C	0.1733
6	N	C	0.0000
7	Y	C	2.2904
1	G	D	-1.2686
2	N	D	-1.3160
3	N	D	-1.1249
4	Q	D	0.0000
5	Q	D	0.1590
6	N	D	0.0000
7	Y	D	2.3306
1	G	E	-1.5581
2	N	E	-1.9355
3	N	E	-1.8403
4	Q	E	0.0000
5	Q	E	-0.2948
6	N	E	0.0000
7	Y	E	2.1093
1	G	F	-1.7537
2	N	F	-2.5434
3	N	F	-2.5934
4	Q	F	-1.9616
5	Q	F	-0.9901
6	N	F	0.0230
7	Y	F	1.5352
1	G	G	-1.3308
2	N	G	-1.6798
3	N	G	-1.9525
4	Q	G	0.0000
5	Q	G	-1.0163
6	N	G	0.0000
7	Y	G	1.5045
1	G	H	-1.3868
2	N	H	-1.4540
3	N	H	-1.5067
4	Q	H	0.0000
5	Q	H	-0.2514
6	N	H	0.0000
7	Y	H	1.6964
1	G	I	-1.2665
2	N	I	-1.2416
3	N	I	-1.1077
4	Q	I	0.0000
5	Q	I	0.0880
6	N	I	0.0000
7	Y	I	2.2039
1	G	J	-1.2637
2	N	J	-1.2106
3	N	J	-1.0144
4	Q	J	0.0000
5	Q	J	0.2542
6	N	J	0.0000
7	Y	J	2.2288
1	G	K	-1.2687
2	N	K	-1.2090
3	N	K	-1.0165
4	Q	K	0.0000
5	Q	K	0.2574
6	N	K	0.0000
7	Y	K	2.4153
1	G	L	-1.2713
2	N	L	-1.2139
3	N	L	-1.0229
4	Q	L	0.0000
5	Q	L	0.2395
6	N	L	0.0000
7	Y	L	2.2552
1	G	M	-1.2680
2	N	M	-1.2100
3	N	M	-1.0246
4	Q	M	0.0000
5	Q	M	0.1795
6	N	M	0.0000
7	Y	M	2.2918
1	G	N	-1.4162
2	N	N	-1.3182
3	N	N	-1.0465
4	Q	N	0.0000
5	Q	N	0.1014
6	N	N	0.0000
7	Y	N	2.0516
1	G	O	-1.3112
2	N	O	-1.8712
3	N	O	-1.6689
4	Q	O	-1.4751
5	Q	O	-0.8462
6	N	O	-0.2644
7	Y	O	1.5327
1	G	P	-1.7165
2	N	P	-1.9072
3	N	P	-1.6599
4	Q	P	0.0000
5	Q	P	-0.5348
6	N	P	0.0000
7	Y	P	1.7739
1	G	Q	-1.5041
2	N	Q	-2.4374
3	N	Q	-1.9942
4	Q	Q	-1.8964
5	Q	Q	-1.2239
6	N	Q	-0.9541
7	Y	Q	1.0633
1	G	R	-1.3963
2	N	R	-1.4330
3	N	R	-1.3145
4	Q	R	0.0000
5	Q	R	-0.0958
6	N	R	0.0000
7	Y	R	2.0939
1	G	S	-1.3151
2	N	S	-1.2402
3	N	S	-1.0435
4	Q	S	0.0000
5	Q	S	0.1133
6	N	S	0.0000
7	Y	S	2.2927
1	G	T	-1.2700
2	N	T	-1.2004
3	N	T	-1.0022
4	Q	T	0.0000
5	Q	T	0.1300
6	N	T	0.0000
7	Y	T	1.9243