Project name: 4b48223bbe9415c

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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:26:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:26:46)

• Minimal score value: -3.5909
• Maximal score value: 0.0
• Average score: -2.0514
• Total score value: -656.4509

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	-1.5421
2	E	A	-2.3202
3	A	A	-1.8513
4	E	A	-2.1669
5	A	A	-2.5083
6	K	A	-2.7800
7	A	A	-2.2310
8	K	A	0.0000
9	A	A	-2.0316
10	E	A	-3.0672
11	A	A	-2.9591
12	E	A	-2.8141
13	A	A	-2.2512
14	K	A	-3.2545
15	A	A	-3.0491
16	K	A	-2.5882
1	A	B	-1.4659
2	E	B	-2.4168
3	A	B	-2.0001
4	E	B	-2.0800
5	A	B	-1.9446
6	K	B	-2.7645
7	A	B	-2.0413
8	K	B	-2.1004
9	A	B	-1.6979
10	E	B	-1.8423
11	A	B	0.0000
12	E	B	-2.7737
13	A	B	-1.6317
14	K	B	0.0000
15	A	B	-2.3279
16	K	B	-2.5282
1	A	C	-1.3615
2	E	C	-2.1262
3	A	C	-1.6022
4	E	C	-1.7415
5	A	C	-1.8305
6	K	C	-1.8261
7	A	C	-1.7238
8	K	C	-1.8477
9	A	C	0.0000
10	E	C	-2.9624
11	A	C	-2.6488
12	E	C	-2.5730
13	A	C	-2.6702
14	K	C	-3.3798
15	A	C	-2.9646
16	K	C	-2.9361
1	A	D	-1.7650
2	E	D	-2.7220
3	A	D	-2.1593
4	E	D	-3.0085
5	A	D	-2.6130
6	K	D	-2.7346
7	A	D	-2.3202
8	K	D	-2.6850
9	A	D	0.0000
10	E	D	-3.3054
11	A	D	-2.2114
12	E	D	-2.6249
13	A	D	-3.0585
14	K	D	-3.0102
15	A	D	-1.9686
16	K	D	-2.5865
1	A	E	-1.9026
2	E	E	-2.3769
3	A	E	-1.7082
4	E	E	-1.8435
5	A	E	0.0000
6	K	E	-1.4904
7	A	E	-1.2559
8	K	E	0.0000
9	A	E	-1.0904
10	E	E	-1.2442
11	A	E	0.0000
12	E	E	-1.8219
13	A	E	0.0000
14	K	E	-1.8185
15	A	E	-2.0035
16	K	E	-2.6709
1	A	F	-1.9486
2	E	F	-2.6334
3	A	F	-2.3080
4	E	F	-2.7139
5	A	F	0.0000
6	K	F	-1.9412
7	A	F	-1.8755
8	K	F	-1.8228
9	A	F	0.0000
10	E	F	-1.6246
11	A	F	-1.5646
12	E	F	-1.9884
13	A	F	-2.2772
14	K	F	-2.4156
15	A	F	-1.8430
16	K	F	-2.4391
1	A	G	-1.7397
2	E	G	-3.1115
3	A	G	-1.9970
4	E	G	-2.6415
5	A	G	-2.4490
6	K	G	-1.9640
7	A	G	-1.5423
8	K	G	-1.8223
9	A	G	-1.2202
10	E	G	-1.3832
11	A	G	-1.4448
12	E	G	-2.0107
13	A	G	-2.3020
14	K	G	-2.8314
15	A	G	-2.0093
16	K	G	-3.0548
1	A	H	-1.9378
2	E	H	-3.2748
3	A	H	-2.2743
4	E	H	-2.5986
5	A	H	0.0000
6	K	H	-1.6151
7	A	H	-1.6524
8	K	H	-1.5969
9	A	H	-1.4235
10	E	H	-1.4596
11	A	H	-1.5122
12	E	H	-2.1502
13	A	H	-2.6070
14	K	H	-2.9082
15	A	H	-2.0463
16	K	H	-2.7594
1	A	I	-1.5652
2	E	I	-2.7095
3	A	I	-2.5115
4	E	I	-2.7697
5	A	I	-2.2698
6	K	I	-3.1234
7	A	I	-2.5021
8	K	I	-2.3794
9	A	I	-1.6228
10	E	I	-1.9564
11	A	I	-1.8841
12	E	I	-2.1383
13	A	I	-1.4863
14	K	I	-2.1395
15	A	I	-1.9902
16	K	I	-2.3727
1	A	J	-1.3921
2	E	J	-2.6503
3	A	J	-1.3875
4	E	J	-2.0372
5	A	J	-1.6763
6	K	J	-1.6439
7	A	J	-1.4185
8	K	J	-1.9046
9	A	J	0.0000
10	E	J	-1.4650
11	A	J	-1.8787
12	E	J	-2.0191
13	A	J	-2.2713
14	K	J	-3.4771
15	A	J	-2.8304
16	K	J	-3.2745
1	A	K	-1.5319
2	E	K	-2.7740
3	A	K	-2.2000
4	E	K	-2.9867
5	A	K	-2.5281
6	K	K	-2.7185
7	A	K	-2.2523
8	K	K	-2.7180
9	A	K	-2.1445
10	E	K	-2.6954
11	A	K	-2.3975
12	E	K	-2.2754
13	A	K	0.0000
14	K	K	-3.3851
15	A	K	-2.5102
16	K	K	-2.7678
1	A	L	-1.4006
2	E	L	-2.2582
3	A	L	-1.6727
4	E	L	-1.9100
5	A	L	-1.8918
6	K	L	-2.1197
7	A	L	-1.4829
8	K	L	-1.5233
9	A	L	-1.1720
10	E	L	-1.3290
11	A	L	-1.3424
12	E	L	-1.6617
13	A	L	-1.6078
14	K	L	-1.7917
15	A	L	-2.0936
16	K	L	-2.4697
1	A	M	-1.5014
2	E	M	-2.6476
3	A	M	-2.4459
4	E	M	-2.8012
5	A	M	-2.2804
6	K	M	-2.0980
7	A	M	-1.9487
8	K	M	-2.1914
9	A	M	0.0000
10	E	M	-1.4986
11	A	M	-1.6078
12	E	M	0.0000
13	A	M	0.0000
14	K	M	-1.8122
15	A	M	-1.8608
16	K	M	-2.6525
1	A	N	-1.4320
2	E	N	-2.3100
3	A	N	-1.9143
4	E	N	-1.9484
5	A	N	-2.1164
6	K	N	-2.4228
7	A	N	-1.6741
8	K	N	-1.6021
9	A	N	-1.3137
10	E	N	-1.4764
11	A	N	0.0000
12	E	N	-1.7789
13	A	N	-1.2353
14	K	N	0.0000
15	A	N	-2.0995
16	K	N	-2.2586
1	A	O	-1.4962
2	E	O	-2.6793
3	A	O	-2.1011
4	E	O	-2.9300
5	A	O	-2.5426
6	K	O	-2.3134
7	A	O	-2.3651
8	K	O	-3.0389
9	A	O	-2.2452
10	E	O	-2.0994
11	A	O	-2.3658
12	E	O	-3.0960
13	A	O	0.0000
14	K	O	-2.2466
15	A	O	-2.2347
16	K	O	-2.8193
1	A	P	-1.6821
2	E	P	-2.9877
3	A	P	-2.5373
4	E	P	-3.3701
5	A	P	-2.9386
6	K	P	-3.5909
7	A	P	-3.0124
8	K	P	-3.5139
9	A	P	-2.5128
10	E	P	-2.4946
11	A	P	-2.8159
12	E	P	-2.9979
13	A	P	-1.9999
14	K	P	-2.5254
15	A	P	-2.0885
16	K	P	-2.3023
1	A	Q	-1.5013
2	E	Q	-2.7308
3	A	Q	-2.4273
4	E	Q	-2.9171
5	A	Q	-2.4875
6	K	Q	-2.5210
7	A	Q	-2.5869
8	K	Q	-3.0775
9	A	Q	-2.4746
10	E	Q	-2.1745
11	A	Q	-2.1845
12	E	Q	-2.9896
13	A	Q	0.0000
14	K	Q	-2.1766
15	A	Q	-2.1423
16	K	Q	-2.5427
1	A	R	-1.5039
2	E	R	-2.4417
3	A	R	-1.9984
4	E	R	-2.2689
5	A	R	-2.3741
6	K	R	-3.1374
7	A	R	-2.5169
8	K	R	-2.9914
9	A	R	-2.3931
10	E	R	-2.8660
11	A	R	0.0000
12	E	R	-3.3372
13	A	R	-2.0285
14	K	R	0.0000
15	A	R	-2.4887
16	K	R	-2.4882
1	A	S	-1.7120
2	E	S	-2.6543
3	A	S	-2.0742
4	E	S	-2.7323
5	A	S	-2.2929
6	K	S	-2.2749
7	A	S	-1.8009
8	K	S	-1.9086
9	A	S	0.0000
10	E	S	-1.8589
11	A	S	-1.6237
12	E	S	0.0000
13	A	S	0.0000
14	K	S	-2.1569
15	A	S	-1.7250
16	K	S	-2.4316
1	A	T	-1.4230
2	E	T	-2.3939
3	A	T	-1.6557
4	E	T	-2.0230
5	A	T	-2.4633
6	K	T	-2.9321
7	A	T	-2.3062
8	K	T	-2.5100
9	A	T	-2.3206
10	E	T	-2.9651
11	A	T	0.0000
12	E	T	-2.7651
13	A	T	-2.1528
14	K	T	-3.0007
15	A	T	-2.7591
16	K	T	-2.5723