Project name: 79cf60a2f73d738

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                                          (00:04:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:22)

• Minimal score value: -1.9031
• Maximal score value: 3.2173
• Average score: 0.123
• Total score value: 17.2177

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	-0.2172
2	G	A	0.3872
3	G	A	0.8201
4	H	A	0.4538
5	K	A	0.0000
6	F	A	0.5100
7	F	A	0.7610
1	G	B	-0.5377
2	G	B	-0.1475
3	G	B	-0.0879
4	H	B	-0.1923
5	K	B	-0.0703
6	F	B	0.0000
7	F	B	1.2929
1	G	C	-0.2855
2	G	C	0.6810
3	G	C	0.8166
4	H	C	0.5138
5	K	C	0.3294
6	F	C	0.7866
7	F	C	1.4658
1	G	D	-0.4863
2	G	D	-0.2958
3	G	D	-0.4644
4	H	D	-0.6529
5	K	D	0.0014
6	F	D	1.9862
7	F	D	2.2318
1	G	E	-1.0475
2	G	E	-1.3521
3	G	E	-1.6143
4	H	E	-1.9031
5	K	E	-1.3809
6	F	E	0.9991
7	F	E	2.2800
1	G	F	-1.2797
2	G	F	-1.4400
3	G	F	-1.7431
4	H	F	0.0000
5	K	F	-1.1204
6	F	F	1.1649
7	F	F	3.1073
1	G	G	-1.2893
2	G	G	-1.3779
3	G	G	-1.5421
4	H	G	-1.6614
5	K	G	-0.7880
6	F	G	1.5076
7	F	G	3.0135
1	G	H	-1.3143
2	G	H	-1.4488
3	G	H	-1.7474
4	H	H	-1.6376
5	K	H	-0.8349
6	F	H	0.0000
7	F	H	3.2173
1	G	I	-1.1677
2	G	I	-1.2644
3	G	I	-1.7148
4	H	I	-1.5352
5	K	I	-1.1815
6	F	I	1.1795
7	F	I	2.5243
1	G	J	-0.2075
2	G	J	0.5207
3	G	J	0.8475
4	H	J	0.0000
5	K	J	0.0000
6	F	J	0.0000
7	F	J	-0.1595
1	G	K	-0.7578
2	G	K	-0.8273
3	G	K	-0.9208
4	H	K	-1.2434
5	K	K	-0.3105
6	F	K	1.0032
7	F	K	2.0594
1	G	L	0.0157
2	G	L	1.0694
3	G	L	1.5661
4	H	L	1.1508
5	K	L	0.0000
6	F	L	0.5643
7	F	L	-0.3081
1	G	M	-0.8237
2	G	M	-0.8538
3	G	M	-0.8883
4	H	M	-0.9602
5	K	M	-0.0470
6	F	M	1.3272
7	F	M	2.1277
1	G	N	-0.0721
2	G	N	0.7410
3	G	N	1.4305
4	H	N	0.8091
5	K	N	0.5290
6	F	N	0.9158
7	F	N	1.0923
1	G	O	-0.2393
2	G	O	0.4337
3	G	O	0.7099
4	H	O	0.2238
5	K	O	0.0284
6	F	O	0.9632
7	F	O	1.4543
1	G	P	-0.2568
2	G	P	0.3397
3	G	P	0.5831
4	H	P	-0.2666
5	K	P	-0.3503
6	F	P	0.7630
7	F	P	1.2240
1	G	Q	-0.6464
2	G	Q	-0.6257
3	G	Q	-0.4777
4	H	Q	-0.3840
5	K	Q	0.8298
6	F	Q	2.1769
7	F	Q	2.6793
1	G	R	-0.0548
2	G	R	0.8259
3	G	R	1.1369
4	H	R	0.0937
5	K	R	-0.7103
6	F	R	0.0100
7	F	R	0.4375
1	G	S	-0.6358
2	G	S	-0.6781
3	G	S	-1.0281
4	H	S	-1.4318
5	K	S	-0.9055
6	F	S	1.7142
7	F	S	2.3815
1	G	T	-0.8391
2	G	T	-0.8872
3	G	T	-0.7704
4	H	T	-0.5913
5	K	T	0.4149
6	F	T	2.2574
7	F	T	2.7192