Project name: GGGHKFF20

Chain sequence(s)	A: GGGHKFF; C: GGGHKFF; B: GGGHKFF; E: GGGHKFF; D: GGGHKFF; G: GGGHKFF; F: GGGHKFF; I: GGGHKFF; H: GGGHKFF; K: GGGHKFF; J: GGGHKFF; M: GGGHKFF; L: GGGHKFF; O: GGGHKFF; N: GGGHKFF; Q: GGGHKFF; P: GGGHKFF; S: GGGHKFF; R: GGGHKFF; T: GGGHKFF
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                                          (00:03:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:35)

• Minimal score value: -2.4258
• Maximal score value: 3.6829
• Average score: -0.2904
• Total score value: -40.6545

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	-2.0275
2	G	A	-2.2177
3	G	A	-2.1283
4	H	A	-1.8536
5	K	A	-1.0014
6	F	A	1.9286
7	F	A	2.6177
1	G	B	-1.9457
2	G	B	-2.1793
3	G	B	-2.4258
4	H	B	-1.7042
5	K	B	-1.0796
6	F	B	1.7699
7	F	B	2.9124
1	G	C	-2.0333
2	G	C	-1.8347
3	G	C	-2.0294
4	H	C	-1.3159
5	K	C	-0.8831
6	F	C	1.3492
7	F	C	2.6736
1	G	D	-1.4781
2	G	D	-1.6497
3	G	D	-2.0304
4	H	D	-1.7071
5	K	D	-1.2525
6	F	D	0.9863
7	F	D	2.5284
1	G	E	-1.6726
2	G	E	-1.8316
3	G	E	-1.7191
4	H	E	-1.1088
5	K	E	-0.5294
6	F	E	2.1227
7	F	E	2.9803
1	G	F	-1.6144
2	G	F	-1.7168
3	G	F	-1.4282
4	H	F	-0.6705
5	K	F	0.3000
6	F	F	2.9170
7	F	F	3.1445
1	G	G	-1.7987
2	G	G	-1.5973
3	G	G	-1.4351
4	H	G	-0.5099
5	K	G	1.1121
6	F	G	3.2292
7	F	G	3.6829
1	G	H	-1.2890
2	G	H	-1.6200
3	G	H	-1.4376
4	H	H	-1.1810
5	K	H	0.0026
6	F	H	2.1482
7	F	H	3.0454
1	G	I	-1.8029
2	G	I	-1.7304
3	G	I	-1.2384
4	H	I	-0.9833
5	K	I	0.1342
6	F	I	1.6156
7	F	I	2.6943
1	G	J	-1.7881
2	G	J	-1.9222
3	G	J	-1.7337
4	H	J	-1.6448
5	K	J	-0.8943
6	F	J	1.1037
7	F	J	2.3559
1	G	K	-1.9150
2	G	K	-2.0082
3	G	K	-1.6198
4	H	K	-1.3432
5	K	K	-0.5776
6	F	K	1.5656
7	F	K	2.5619
1	G	L	-1.9537
2	G	L	-1.8329
3	G	L	-1.5082
4	H	L	-1.1681
5	K	L	-0.1298
6	F	L	1.8472
7	F	L	2.8581
1	G	M	-1.6514
2	G	M	-1.5858
3	G	M	-0.8990
4	H	M	-0.6677
5	K	M	-0.1202
6	F	M	2.6184
7	F	M	2.8210
1	G	N	-1.7237
2	G	N	-1.8603
3	G	N	-1.0591
4	H	N	-0.7145
5	K	N	-0.1482
6	F	N	2.3687
7	F	N	3.0571
1	G	O	-1.2934
2	G	O	-1.3899
3	G	O	-1.6209
4	H	O	-1.3156
5	K	O	-0.3581
6	F	O	1.5616
7	F	O	2.8977
1	G	P	-1.2235
2	G	P	-1.7212
3	G	P	-1.8972
4	H	P	-1.5491
5	K	P	-1.1036
6	F	P	1.2057
7	F	P	2.4001
1	G	Q	-1.0439
2	G	Q	-0.9520
3	G	Q	-1.8523
4	H	Q	-1.9244
5	K	Q	-1.6998
6	F	Q	1.0825
7	F	Q	2.3670
1	G	R	-1.5733
2	G	R	-1.8088
3	G	R	-1.9210
4	H	R	-0.9338
5	K	R	-0.1951
6	F	R	2.7433
7	F	R	3.3840
1	G	S	-2.0214
2	G	S	-1.9115
3	G	S	-2.1523
4	H	S	-1.4015
5	K	S	-0.2980
6	F	S	2.6762
7	F	S	3.1869
1	G	T	-1.7140
2	G	T	-1.9791
3	G	T	-1.7412
4	H	T	-1.0419
5	K	T	-0.4977
6	F	T	2.2851
7	F	T	2.8000