Project name: 677900b302308c2

Chain sequence(s)	A: HHQKLVFFAEDVGSNKGAIIGLMVGGVV; C: HHQKLVFFAEDVGSNKGAIIGLMVGGVV; B: HHQKLVFFAEDVGSNKGAIIGLMVGGVV; E: HHQKLVFFAEDVGSNKGAIIGLMVGGVV; D: HHQKLVFFAEDVGSNKGAIIGLMVGGVV; G: HHQKLVFFAEDVGSNKGAIIGLMVGGVV; F: HHQKLVFFAEDVGSNKGAIIGLMVGGVV; I: HHQKLVFFAEDVGSNKGAIIGLMVGGVV; H: HHQKLVFFAEDVGSNKGAIIGLMVGGVV; K: HHQKLVFFAEDVGSNKGAIIGLMVGGVV; J: HHQKLVFFAEDVGSNKGAIIGLMVGGVV; L: HHQKLVFFAEDVGSNKGAIIGLMVGGVV
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
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                                          (00:06:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:53)

• Minimal score value: -3.1132
• Maximal score value: 3.1737
• Average score: -0.0944
• Total score value: -31.7334

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
13	H	A	-2.1964
14	H	A	-2.7856
15	Q	A	-2.4578
16	K	A	-2.0728
17	L	A	0.1706
18	V	A	1.6756
19	F	A	2.4084
20	F	A	2.2369
21	A	A	-0.1226
22	E	A	-2.4212
23	D	A	-2.8637
24	V	A	-1.0639
25	G	A	-1.0278
26	S	A	-1.5058
27	N	A	-1.4869
28	K	A	-2.5102
29	G	A	-1.2706
30	A	A	0.1113
31	I	A	1.1341
32	I	A	1.8419
33	G	A	0.4430
34	L	A	1.4082
35	M	A	1.9701
36	V	A	1.5848
37	G	A	0.9095
38	G	A	1.1447
39	V	A	3.0577
40	V	A	2.9785
13	H	B	-2.3493
14	H	B	-3.0692
15	Q	B	-2.9526
16	K	B	-2.3369
17	L	B	-0.1628
18	V	B	1.5356
19	F	B	2.0827
20	F	B	1.5602
21	A	B	-0.4891
22	E	B	-2.7181
23	D	B	-3.1132
24	V	B	0.0000
25	G	B	-0.7676
26	S	B	-1.5513
27	N	B	-1.6180
28	K	B	-2.5481
29	G	B	-1.4019
30	A	B	-0.3645
31	I	B	0.3540
32	I	B	1.1235
33	G	B	0.2783
34	L	B	0.0000
35	M	B	1.4743
36	V	B	0.8037
37	G	B	0.5469
38	G	B	0.9869
39	V	B	3.0323
40	V	B	2.9875
13	H	C	-2.5544
14	H	C	-2.7060
15	Q	C	-2.2835
16	K	C	-1.5349
17	L	C	0.0000
18	V	C	1.1062
19	F	C	0.0000
20	F	C	1.4236
21	A	C	0.0000
22	E	C	-1.7150
23	D	C	-1.9081
24	V	C	0.0000
25	G	C	-0.5127
26	S	C	0.0000
27	N	C	0.0000
28	K	C	-1.9005
29	G	C	-1.3179
30	A	C	-0.1998
31	I	C	0.0000
32	I	C	0.9957
33	G	C	0.0000
34	L	C	0.0000
35	M	C	1.2946
36	V	C	0.9465
37	G	C	0.8363
38	G	C	1.4937
39	V	C	3.0197
40	V	C	2.6799
13	H	D	-2.7339
14	H	D	-3.0537
15	Q	D	-2.5837
16	K	D	-1.7150
17	L	D	0.0000
18	V	D	0.8473
19	F	D	0.0000
20	F	D	0.9280
21	A	D	0.0000
22	E	D	-1.9641
23	D	D	-2.0140
24	V	D	0.0000
25	G	D	-0.5979
26	S	D	0.0000
27	N	D	0.0000
28	K	D	-1.9104
29	G	D	-1.4125
30	A	D	-0.4280
31	I	D	0.0000
32	I	D	0.6879
33	G	D	0.0000
34	L	D	0.0000
35	M	D	1.0139
36	V	D	0.5895
37	G	D	0.6536
38	G	D	1.3650
39	V	D	2.9820
40	V	D	2.5643
13	H	E	-2.4952
14	H	E	-2.2468
15	Q	E	-1.8473
16	K	E	-1.1969
17	L	E	0.0000
18	V	E	0.6775
19	F	E	0.0000
20	F	E	0.7708
21	A	E	0.0000
22	E	E	-1.2930
23	D	E	0.0000
24	V	E	0.0000
25	G	E	-0.2625
26	S	E	0.0000
27	N	E	0.0000
28	K	E	-1.5685
29	G	E	-1.1741
30	A	E	-0.2926
31	I	E	0.0000
32	I	E	0.5843
33	G	E	0.0000
34	L	E	0.0000
35	M	E	0.7494
36	V	E	0.5810
37	G	E	0.5225
38	G	E	1.2310
39	V	E	2.7045
40	V	E	2.3501
13	H	F	-2.5728
14	H	F	-2.3463
15	Q	F	-1.9740
16	K	F	-1.2927
17	L	F	0.0000
18	V	F	0.5363
19	F	F	0.0000
20	F	F	0.6544
21	A	F	0.0000
22	E	F	-1.1802
23	D	F	-1.3180
24	V	F	0.0000
25	G	F	-0.2739
26	S	F	0.0000
27	N	F	0.0000
28	K	F	-1.5954
29	G	F	-1.1794
30	A	F	-0.2963
31	I	F	0.0000
32	I	F	0.5134
33	G	F	0.0000
34	L	F	0.0000
35	M	F	0.7671
36	V	F	0.5080
37	G	F	0.5223
38	G	F	1.2032
39	V	F	2.6622
40	V	F	2.3053
13	H	G	-2.4245
14	H	G	-2.2316
15	Q	G	-1.7382
16	K	G	-1.1433
17	L	G	0.0000
18	V	G	0.7451
19	F	G	0.0000
20	F	G	0.7943
21	A	G	0.0000
22	E	G	-1.1372
23	D	G	0.0000
24	V	G	0.0000
25	G	G	-0.2168
26	S	G	0.0000
27	N	G	0.0000
28	K	G	-1.6136
29	G	G	-0.9953
30	A	G	-0.2878
31	I	G	0.0000
32	I	G	0.5916
33	G	G	0.0000
34	L	G	0.0000
35	M	G	0.7522
36	V	G	0.4856
37	G	G	0.5330
38	G	G	1.1565
39	V	G	2.7492
40	V	G	2.2196
13	H	H	-2.4587
14	H	H	-2.2989
15	Q	H	-1.8186
16	K	H	-1.2631
17	L	H	0.0000
18	V	H	0.5715
19	F	H	0.0000
20	F	H	0.6438
21	A	H	0.0000
22	E	H	-1.3119
23	D	H	0.0000
24	V	H	0.0000
25	G	H	-0.2509
26	S	H	0.0000
27	N	H	0.0000
28	K	H	-1.6177
29	G	H	-0.9986
30	A	H	-0.2424
31	I	H	0.0000
32	I	H	0.6477
33	G	H	0.0000
34	L	H	0.0000
35	M	H	0.7950
36	V	H	0.5356
37	G	H	0.5761
38	G	H	1.1496
39	V	H	2.7381
40	V	H	2.2172
13	H	I	-2.5760
14	H	I	-2.5593
15	Q	I	-2.1747
16	K	I	-1.3755
17	L	I	0.0000
18	V	I	0.9350
19	F	I	0.0000
20	F	I	1.1161
21	A	I	0.0000
22	E	I	-0.9998
23	D	I	0.0000
24	V	I	0.0000
25	G	I	-0.1914
26	S	I	0.0000
27	N	I	0.0000
28	K	I	-2.1470
29	G	I	-1.3359
30	A	I	-0.3430
31	I	I	0.0000
32	I	I	1.0372
33	G	I	0.0000
34	L	I	0.0000
35	M	I	0.8779
36	V	I	0.5686
37	G	I	0.7553
38	G	I	1.4369
39	V	I	2.9060
40	V	I	2.6039
13	H	J	-2.6270
14	H	J	-2.6693
15	Q	J	-2.3133
16	K	J	-1.4966
17	L	J	0.0000
18	V	J	1.1972
19	F	J	0.0000
20	F	J	1.2448
21	A	J	0.0000
22	E	J	-1.1587
23	D	J	0.0000
24	V	J	0.0000
25	G	J	-0.1413
26	S	J	0.0000
27	N	J	0.0000
28	K	J	-2.1445
29	G	J	-1.2731
30	A	J	-0.2100
31	I	J	0.0000
32	I	J	1.1625
33	G	J	0.0000
34	L	J	0.0000
35	M	J	1.1640
36	V	J	0.8750
37	G	J	0.8927
38	G	J	1.5006
39	V	J	2.9296
40	V	J	2.6270
13	H	K	-2.2991
14	H	K	-2.5947
15	Q	K	-2.4296
16	K	K	-1.5958
17	L	K	0.2124
18	V	K	1.1643
19	F	K	1.9434
20	F	K	1.2751
21	A	K	-0.1041
22	E	K	-1.7156
23	D	K	-1.4975
24	V	K	-0.1129
25	G	K	-0.4608
26	S	K	-1.2246
27	N	K	-2.0492
28	K	K	-2.6281
29	G	K	-1.6587
30	A	K	-0.3579
31	I	K	0.6284
32	I	K	1.5791
33	G	K	0.0000
34	L	K	1.3668
35	M	K	1.2875
36	V	K	0.9618
37	G	K	0.4934
38	G	K	1.1861
39	V	K	2.9305
40	V	K	3.1227
13	H	L	-2.3764
14	H	L	-2.7828
15	Q	L	-2.7937
16	K	L	-1.7738
17	L	L	0.3449
18	V	L	1.7408
19	F	L	2.8709
20	F	L	1.6810
21	A	L	0.1457
22	E	L	-1.7145
23	D	L	-1.3337
24	V	L	0.2264
25	G	L	-0.4952
26	S	L	-1.2479
27	N	L	-1.9131
28	K	L	-2.6053
29	G	L	-1.5667
30	A	L	-0.1130
31	I	L	0.9509
32	I	L	1.7298
33	G	L	0.8422
34	L	L	1.6054
35	M	L	1.5837
36	V	L	1.3643
37	G	L	0.7057
38	G	L	1.2756
39	V	L	2.9399
40	V	L	3.1737