Project name: EAK16-II_20

Chain sequence(s)	A: AEAEAKAKAEAEAKAK; C: AEAEAKAKAEAEAKAK; B: AEAEAKAKAEAEAKAK; E: AEAEAKAKAEAEAKAK; D: AEAEAKAKAEAEAKAK; G: AEAEAKAKAEAEAKAK; F: AEAEAKAKAEAEAKAK; I: AEAEAKAKAEAEAKAK; H: AEAEAKAKAEAEAKAK; K: AEAEAKAKAEAEAKAK; J: AEAEAKAKAEAEAKAK; M: AEAEAKAKAEAEAKAK; L: AEAEAKAKAEAEAKAK; O: AEAEAKAKAEAEAKAK; N: AEAEAKAKAEAEAKAK; Q: AEAEAKAKAEAEAKAK; P: AEAEAKAKAEAEAKAK; S: AEAEAKAKAEAEAKAK; R: AEAEAKAKAEAEAKAK; T: AEAEAKAKAEAEAKAK
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:15:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:24)

• Minimal score value: -4.5272
• Maximal score value: 0.0
• Average score: -2.9051
• Total score value: -929.6301

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	A	A	-1.5563
2	E	A	-2.6580
3	A	A	-2.4969
4	E	A	-3.3509
5	A	A	-3.0224
6	K	A	-3.5839
7	A	A	-3.3693
8	K	A	-3.3623
9	A	A	-3.3297
10	E	A	-3.6795
11	A	A	-3.1384
12	E	A	-3.6919
13	A	A	0.0000
14	K	A	-3.4040
15	A	A	-2.4278
16	K	A	-3.5056
1	A	B	-1.9978
2	E	B	-3.4673
3	A	B	-3.4298
4	E	B	-3.0544
5	A	B	-2.5027
6	K	B	-3.2853
7	A	B	-2.6324
8	K	B	-3.0916
9	A	B	-2.5419
10	E	B	-3.4053
11	A	B	-2.5615
12	E	B	-3.4436
13	A	B	-2.6551
14	K	B	-3.1689
15	A	B	-2.2705
16	K	B	-2.6045
1	A	C	-2.0910
2	E	C	-2.8888
3	A	C	-2.6315
4	E	C	-3.6979
5	A	C	-2.8451
6	K	C	-3.6364
7	A	C	-3.0109
8	K	C	-3.3071
9	A	C	-4.0648
10	E	C	-4.0957
11	A	C	-3.2250
12	E	C	-4.0816
13	A	C	-4.2466
14	K	C	-3.4294
15	A	C	-2.5164
16	K	C	-3.3271
1	A	D	-1.9196
2	E	D	-3.2202
3	A	D	-2.5560
4	E	D	-3.5393
5	A	D	-3.8114
6	K	D	-4.1552
7	A	D	-3.6750
8	K	D	-3.8071
9	A	D	-3.9468
10	E	D	-4.2839
11	A	D	-4.1588
12	E	D	-3.6658
13	A	D	-2.9782
14	K	D	-4.1496
15	A	D	-3.7753
16	K	D	-2.9325
1	A	E	-1.7634
2	E	E	-3.5321
3	A	E	-3.3211
4	E	E	-3.8957
5	A	E	-3.2724
6	K	E	-3.9508
7	A	E	-3.8826
8	K	E	-3.7717
9	A	E	-3.5129
10	E	E	-4.0110
11	A	E	-3.4631
12	E	E	-3.4172
13	A	E	-3.2718
14	K	E	-3.2801
15	A	E	-2.5241
16	K	E	-2.7363
1	A	F	-1.7673
2	E	F	-3.1811
3	A	F	-2.7987
4	E	F	-3.5898
5	A	F	-3.0645
6	K	F	-3.7299
7	A	F	-3.3424
8	K	F	-3.7769
9	A	F	-3.3928
10	E	F	-3.9890
11	A	F	-3.5401
12	E	F	-3.8838
13	A	F	-3.0864
14	K	F	-3.2333
15	A	F	-2.4594
16	K	F	-2.8549
1	A	G	-1.4224
2	E	G	-2.8415
3	A	G	-2.3186
4	E	G	-2.9705
5	A	G	-2.5300
6	K	G	-3.3191
7	A	G	-3.3890
8	K	G	-3.5199
9	A	G	-3.1762
10	E	G	-3.7505
11	A	G	-3.3415
12	E	G	-3.6886
13	A	G	-3.0004
14	K	G	-3.1922
15	A	G	-2.4420
16	K	G	-2.6402
1	A	H	-1.5012
2	E	H	-2.7817
3	A	H	-2.1521
4	E	H	-2.6269
5	A	H	0.0000
6	K	H	-3.6084
7	A	H	-3.1169
8	K	H	-3.4411
9	A	H	-3.4055
10	E	H	-3.7145
11	A	H	-3.2679
12	E	H	-3.7438
13	A	H	-3.1033
14	K	H	-3.2529
15	A	H	-2.4880
16	K	H	-2.6744
1	A	I	-1.7629
2	E	I	-3.0174
3	A	I	-2.4405
4	E	I	-3.3527
5	A	I	-3.2944
6	K	I	-3.5337
7	A	I	-3.0703
8	K	I	-3.6441
9	A	I	-3.7578
10	E	I	-3.7225
11	A	I	-3.0098
12	E	I	-3.6378
13	A	I	-3.3940
14	K	I	-3.1532
15	A	I	-2.4128
16	K	I	-2.6770
1	A	J	-0.9354
2	E	J	-2.1763
3	A	J	-2.5259
4	E	J	-2.9321
5	A	J	-1.9210
6	K	J	-2.3471
7	A	J	0.0000
8	K	J	-3.2434
9	A	J	-2.3405
10	E	J	-2.9249
11	A	J	-3.1542
12	E	J	-3.4963
13	A	J	-2.6064
14	K	J	-2.9411
15	A	J	-2.4925
16	K	J	-2.7529
1	A	K	-1.6896
2	E	K	-2.8539
3	A	K	-3.0891
4	E	K	-3.5971
5	A	K	-2.7069
6	K	K	-2.9359
7	A	K	0.0000
8	K	K	-3.7562
9	A	K	-2.8313
10	E	K	-2.8991
11	A	K	0.0000
12	E	K	-3.6686
13	A	K	-2.8774
14	K	K	-3.2753
15	A	K	-2.9291
16	K	K	-2.6905
1	A	L	-1.9517
2	E	L	-3.3801
3	A	L	-2.6617
4	E	L	-3.4657
5	A	L	-3.5156
6	K	L	-3.8097
7	A	L	0.0000
8	K	L	-4.2732
9	A	L	-3.8759
10	E	L	-3.9474
11	A	L	0.0000
12	E	L	-4.3686
13	A	L	-3.6921
14	K	L	-3.7236
15	A	L	-3.3559
16	K	L	-2.7902
1	A	M	-2.1235
2	E	M	-3.0771
3	A	M	-1.9820
4	E	M	-2.7255
5	A	M	-3.2314
6	K	M	-3.8663
7	A	M	-3.0823
8	K	M	-3.9646
9	A	M	0.0000
10	E	M	-4.0102
11	A	M	-3.1237
12	E	M	-3.8277
13	A	M	-3.6193
14	K	M	-3.2424
15	A	M	-2.4011
16	K	M	-2.7806
1	A	N	-1.3995
2	E	N	-2.5833
3	A	N	-2.8425
4	E	N	-3.4635
5	A	N	-2.8153
6	K	N	-3.6660
7	A	N	0.0000
8	K	N	-3.9151
9	A	N	-2.6789
10	E	N	-2.9192
11	A	N	0.0000
12	E	N	-4.4955
13	A	N	-2.6799
14	K	N	-3.9788
15	A	N	-4.0152
16	K	N	-3.2190
1	A	O	-2.0604
2	E	O	-3.6917
3	A	O	-3.5883
4	E	O	-4.5272
5	A	O	0.0000
6	K	O	-4.2697
7	A	O	0.0000
8	K	O	-3.4271
9	A	O	0.0000
10	E	O	-3.6279
11	A	O	-3.2506
12	E	O	-3.8863
13	A	O	0.0000
14	K	O	-3.7503
15	A	O	-2.5180
16	K	O	-3.4229
1	A	P	-3.6167
2	E	P	-4.2857
3	A	P	-2.8975
4	E	P	-4.0723
5	A	P	0.0000
6	K	P	-4.0314
7	A	P	-3.2274
8	K	P	-4.0600
9	A	P	-3.6505
10	E	P	-3.5950
11	A	P	-3.0371
12	E	P	-3.4156
13	A	P	-2.7438
14	K	P	-3.2202
15	A	P	-2.2904
16	K	P	-2.5384
1	A	Q	-1.1732
2	E	Q	-2.6080
3	A	Q	-2.0453
4	E	Q	-2.4463
5	A	Q	-2.5237
6	K	Q	-3.5543
7	A	Q	0.0000
8	K	Q	-3.9226
9	A	Q	-3.3996
10	E	Q	-3.9373
11	A	Q	-4.0607
12	E	Q	-3.8173
13	A	Q	-2.8444
14	K	Q	-3.2881
15	A	Q	-2.7803
16	K	Q	-2.6997
1	A	R	-1.0701
2	E	R	-2.2538
3	A	R	-2.0757
4	E	R	-2.6465
5	A	R	-2.9361
6	K	R	-3.6931
7	A	R	0.0000
8	K	R	-4.2759
9	A	R	0.0000
10	E	R	-3.7394
11	A	R	0.0000
12	E	R	-4.4774
13	A	R	-3.1450
14	K	R	-4.1603
15	A	R	-3.6986
16	K	R	-3.0118
1	A	S	-0.6793
2	E	S	-1.8081
3	A	S	-1.4914
4	E	S	-2.2369
5	A	S	-2.4337
6	K	S	-3.1805
7	A	S	0.0000
8	K	S	-3.5391
9	A	S	0.0000
10	E	S	-3.7935
11	A	S	-3.2238
12	E	S	-4.1860
13	A	S	0.0000
14	K	S	-3.5968
15	A	S	-2.5045
16	K	S	-3.4084
1	A	T	-1.5057
2	E	T	-2.4934
3	A	T	-2.2072
4	E	T	-2.9907
5	A	T	-2.7849
6	K	T	-2.9096
7	A	T	-3.0702
8	K	T	-3.3479
9	A	T	-2.9043
10	E	T	-2.9829
11	A	T	0.0000
12	E	T	-3.5204
13	A	T	-2.7422
14	K	T	-3.9234
15	A	T	-3.2810
16	K	T	-2.8084