Project name: d0facc7845405ce

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                                          (00:06:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:33)

• Minimal score value: -3.1025
• Maximal score value: 3.0266
• Average score: -0.1526
• Total score value: -51.2712

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	-2.2643
14	H	A	-2.6278
15	Q	A	-2.2822
16	K	A	-1.7739
17	L	A	0.0464
18	V	A	1.1657
19	F	A	2.1171
20	F	A	1.6628
21	A	A	0.1050
22	E	A	-1.3799
23	D	A	-1.1679
24	V	A	-0.2465
25	G	A	-0.3136
26	S	A	-1.0895
27	N	A	-1.8183
28	K	A	-2.4424
29	G	A	-1.5598
30	A	A	-0.2966
31	I	A	0.5755
32	I	A	1.1210
33	G	A	0.3930
34	L	A	1.4618
35	M	A	1.6007
36	V	A	1.7793
37	G	A	1.0269
38	G	A	1.4025
39	V	A	2.9236
40	V	A	3.0266
13	H	B	-2.2529
14	H	B	-2.6177
15	Q	B	-2.2731
16	K	B	-1.8241
17	L	B	-0.0679
18	V	B	0.8989
19	F	B	1.9027
20	F	B	1.3016
21	A	B	-0.1665
22	E	B	-1.7182
23	D	B	-1.5828
24	V	B	-0.4424
25	G	B	-0.4510
26	S	B	-1.3580
27	N	B	-2.2143
28	K	B	-2.7455
29	G	B	-1.8848
30	A	B	-0.4366
31	I	B	0.4810
32	I	B	1.1136
33	G	B	0.5049
34	L	B	1.5117
35	M	B	1.6163
36	V	B	1.7874
37	G	B	1.0302
38	G	B	1.4006
39	V	B	2.9215
40	V	B	3.0231
13	H	C	-2.5700
14	H	C	-2.6332
15	Q	C	-2.1962
16	K	C	-1.5484
17	L	C	0.0000
18	V	C	0.8034
19	F	C	0.0000
20	F	C	0.9761
21	A	C	0.0000
22	E	C	-1.2264
23	D	C	0.0000
24	V	C	0.0000
25	G	C	-0.1897
26	S	C	0.0000
27	N	C	0.0000
28	K	C	-2.2588
29	G	C	-1.2850
30	A	C	-0.3165
31	I	C	0.0000
32	I	C	0.0000
33	G	C	0.0000
34	L	C	0.0000
35	M	C	1.2443
36	V	C	1.0341
37	G	C	1.1261
38	G	C	1.5554
39	V	C	2.8432
40	V	C	2.4152
13	H	D	-2.5667
14	H	D	-2.6213
15	Q	D	-2.2214
16	K	D	-1.6199
17	L	D	0.0000
18	V	D	0.6332
19	F	D	0.0000
20	F	D	0.9041
21	A	D	0.0000
22	E	D	-1.6593
23	D	D	0.0000
24	V	D	0.0000
25	G	D	-0.2954
26	S	D	0.0000
27	N	D	0.0000
28	K	D	-3.0117
29	G	D	-1.6753
30	A	D	-0.5093
31	I	D	0.0000
32	I	D	0.0000
33	G	D	0.0000
34	L	D	0.0000
35	M	D	1.2506
36	V	D	1.0382
37	G	D	1.1272
38	G	D	1.5519
39	V	D	2.8398
40	V	D	2.4052
13	H	E	-2.4068
14	H	E	-2.1812
15	Q	E	-1.7337
16	K	E	-1.3030
17	L	E	0.0000
18	V	E	0.4311
19	F	E	0.0000
20	F	E	0.6671
21	A	E	0.0000
22	E	E	-1.6185
23	D	E	0.0000
24	V	E	0.0000
25	G	E	-0.3460
26	S	E	0.0000
27	N	E	0.0000
28	K	E	-1.5253
29	G	E	-0.9313
30	A	E	-0.3257
31	I	E	0.0000
32	I	E	0.0000
33	G	E	0.0000
34	L	E	0.0000
35	M	E	0.7929
36	V	E	0.6070
37	G	E	0.6811
38	G	E	1.1136
39	V	E	2.6232
40	V	E	2.0149
13	H	F	-2.4419
14	H	F	-2.2657
15	Q	F	-1.8119
16	K	F	-1.4187
17	L	F	0.0000
18	V	F	0.3766
19	F	F	0.0000
20	F	F	0.6330
21	A	F	0.0000
22	E	F	-1.8157
23	D	F	0.0000
24	V	F	0.0000
25	G	F	-0.3334
26	S	F	0.0000
27	N	F	0.0000
28	K	F	-1.9594
29	G	F	-1.1107
30	A	F	-0.4194
31	I	F	0.0000
32	I	F	0.0000
33	G	F	0.0000
34	L	F	0.0000
35	M	F	0.7952
36	V	F	0.6065
37	G	F	0.6799
38	G	F	1.1139
39	V	F	2.6251
40	V	F	2.0120
13	H	G	-2.4050
14	H	G	-2.1859
15	Q	G	0.0000
16	K	G	-1.2610
17	L	G	0.0000
18	V	G	0.6084
19	F	G	0.0000
20	F	G	0.6908
21	A	G	0.0000
22	E	G	-1.6915
23	D	G	-1.4773
24	V	G	0.0000
25	G	G	-0.4385
26	S	G	0.0000
27	N	G	0.0000
28	K	G	-1.4393
29	G	G	-1.0489
30	A	G	-0.3675
31	I	G	0.0000
32	I	G	0.0000
33	G	G	0.0000
34	L	G	0.0000
35	M	G	0.7218
36	V	G	0.5163
37	G	G	0.5643
38	G	G	1.1498
39	V	G	2.5139
40	V	G	2.0246
13	H	H	-2.4245
14	H	H	-2.2294
15	Q	H	-1.8478
16	K	H	-1.3276
17	L	H	0.0000
18	V	H	0.4933
19	F	H	0.0000
20	F	H	0.5630
21	A	H	0.0000
22	E	H	-1.9506
23	D	H	-1.6290
24	V	H	0.0000
25	G	H	-0.4435
26	S	H	0.0000
27	N	H	0.0000
28	K	H	-1.4704
29	G	H	-1.0412
30	A	H	-0.3766
31	I	H	0.0000
32	I	H	0.0000
33	G	H	0.0000
34	L	H	0.0000
35	M	H	0.7214
36	V	H	0.5141
37	G	H	0.5654
38	G	H	1.1543
39	V	H	2.5190
40	V	H	2.0451
13	H	I	-2.5257
14	H	I	-2.5593
15	Q	I	-2.0934
16	K	I	-1.3792
17	L	I	0.0000
18	V	I	1.3669
19	F	I	0.0000
20	F	I	1.5376
21	A	I	0.0000
22	E	I	-2.2300
23	D	I	-2.3892
24	V	I	0.0000
25	G	I	-0.8807
26	S	I	0.0000
27	N	I	0.0000
28	K	I	-1.7112
29	G	I	-1.3545
30	A	I	-0.5729
31	I	I	0.0000
32	I	I	0.0000
33	G	I	0.0000
34	L	I	0.0000
35	M	I	0.9834
36	V	I	0.5882
37	G	I	0.6565
38	G	I	1.2003
39	V	I	2.6826
40	V	I	2.1418
13	H	J	-2.5264
14	H	J	-2.5678
15	Q	J	0.0000
16	K	J	-1.4979
17	L	J	0.0000
18	V	J	1.0272
19	F	J	0.0000
20	F	J	1.1305
21	A	J	0.0000
22	E	J	-2.7686
23	D	J	-2.6121
24	V	J	0.0000
25	G	J	-0.9279
26	S	J	0.0000
27	N	J	0.0000
28	K	J	-1.7236
29	G	J	-1.3297
30	A	J	-0.5537
31	I	J	0.0000
32	I	J	0.0000
33	G	J	0.0000
34	L	J	0.0000
35	M	J	0.9809
36	V	J	0.5827
37	G	J	0.6572
38	G	J	1.2174
39	V	J	2.7184
40	V	J	2.1710
13	H	K	-2.1825
14	H	K	-2.6294
15	Q	K	-2.2448
16	K	K	-1.8707
17	L	K	0.4587
18	V	K	2.4569
19	F	K	2.9329
20	F	K	2.4752
21	A	K	-0.0620
22	E	K	-2.6153
23	D	K	-2.9787
24	V	K	-1.2234
25	G	K	-0.9514
26	S	K	-1.6692
27	N	K	-1.8145
28	K	K	-2.3126
29	G	K	-1.3032
30	A	K	-0.4534
31	I	K	0.1296
32	I	K	0.8467
33	G	K	0.0469
34	L	K	1.1239
35	M	K	1.5063
36	V	K	0.7684
37	G	K	0.4575
38	G	K	0.7971
39	V	K	2.6646
40	V	K	2.2420
13	H	L	-2.1777
14	H	L	-2.6277
15	Q	L	-2.2859
16	K	L	-2.0100
17	L	L	0.1763
18	V	L	1.8481
19	F	L	2.5097
20	F	L	2.1446
21	A	L	-0.2541
22	E	L	-2.8302
23	D	L	-3.1025
24	V	L	-1.3083
25	G	L	-0.9523
26	S	L	-1.7077
27	N	L	-1.7899
28	K	L	-2.2486
29	G	L	-1.2790
30	A	L	-0.4403
31	I	L	0.1471
32	I	L	0.8647
33	G	L	0.1605
34	L	L	1.2261
35	M	L	1.5162
36	V	L	0.7736
37	G	L	0.4624
38	G	L	0.8135
39	V	L	2.6978
40	V	L	2.2868