Project name: c845f8f999f57fe

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG; C: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG; B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG; E: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG; D: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG; G: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG; F: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG; I: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG; H: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG; K: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG; J: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG; L: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVG
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                                          (00:14:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:41)

• Minimal score value: -4.0047
• Maximal score value: 2.2903
• Average score: -0.2823
• Total score value: -125.3442

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	D	A	-3.0636
2	A	A	-2.3113
3	E	A	-3.1521
4	F	A	0.0000
5	R	A	-3.3042
6	H	A	-2.0651
7	D	A	-2.8381
8	S	A	-1.1199
9	G	A	-0.0065
10	Y	A	1.7742
11	E	A	1.2422
12	V	A	1.5255
13	H	A	-0.7243
14	H	A	-1.8992
15	Q	A	-1.7613
16	K	A	-0.4293
17	L	A	1.5564
18	V	A	1.5147
19	F	A	1.6498
20	F	A	0.8840
21	A	A	-0.0277
22	E	A	-1.5988
23	D	A	0.0000
24	V	A	0.0389
25	G	A	-0.7238
26	S	A	-1.1949
27	N	A	-1.2856
28	K	A	-2.2171
29	G	A	-1.1634
30	A	A	-0.2332
31	I	A	1.3540
32	I	A	1.5468
33	G	A	1.1649
34	L	A	1.5719
35	M	A	1.0303
36	V	A	1.2597
37	G	A	-0.2676
1	D	B	-3.0028
2	A	B	-2.2795
3	E	B	-3.0432
4	F	B	0.0000
5	R	B	-2.5043
6	H	B	-1.6813
7	D	B	-2.6259
8	S	B	-1.0049
9	G	B	0.0401
10	Y	B	1.8336
11	E	B	1.3126
12	V	B	1.6754
13	H	B	-0.4675
14	H	B	-1.6354
15	Q	B	-1.2997
16	K	B	-0.5065
17	L	B	0.7075
18	V	B	0.8243
19	F	B	0.9666
20	F	B	0.5749
21	A	B	-0.2811
22	E	B	-1.7558
23	D	B	0.0000
24	V	B	-0.3774
25	G	B	0.0000
26	S	B	-1.1086
27	N	B	-0.9556
28	K	B	-2.0722
29	G	B	-1.1081
30	A	B	-0.2197
31	I	B	1.2100
32	I	B	1.1744
33	G	B	0.8992
34	L	B	1.3918
35	M	B	1.0046
36	V	B	1.3436
37	G	B	-0.1241
1	D	C	-2.9331
2	A	C	-2.4954
3	E	C	-3.0676
4	F	C	0.0000
5	R	C	-2.9673
6	H	C	0.0000
7	D	C	-2.1363
8	S	C	0.0000
9	G	C	0.1026
10	Y	C	1.8319
11	E	C	0.0000
12	V	C	1.2687
13	H	C	0.0000
14	H	C	-1.7968
15	Q	C	-1.1939
16	K	C	0.0000
17	L	C	0.0000
18	V	C	0.0000
19	F	C	0.0000
20	F	C	0.0000
21	A	C	0.0000
22	E	C	0.0000
23	D	C	0.0000
24	V	C	0.0000
25	G	C	0.0000
26	S	C	0.0000
27	N	C	0.0000
28	K	C	-1.3203
29	G	C	-0.7831
30	A	C	0.0000
31	I	C	1.1111
32	I	C	0.0000
33	G	C	0.0000
34	L	C	1.3890
35	M	C	0.0000
36	V	C	0.9363
37	G	C	-0.3475
1	D	D	-2.9142
2	A	D	-2.5099
3	E	D	-2.9271
4	F	D	0.0000
5	R	D	-2.7035
6	H	D	0.0000
7	D	D	-2.0070
8	S	D	0.0000
9	G	D	0.1636
10	Y	D	1.9774
11	E	D	0.0000
12	V	D	1.3854
13	H	D	0.0000
14	H	D	-1.6139
15	Q	D	0.0000
16	K	D	0.0000
17	L	D	0.0000
18	V	D	0.0000
19	F	D	0.0000
20	F	D	0.0000
21	A	D	0.0000
22	E	D	0.0000
23	D	D	0.0000
24	V	D	0.0000
25	G	D	0.0000
26	S	D	0.0000
27	N	D	0.0000
28	K	D	-1.1466
29	G	D	-0.7194
30	A	D	0.0000
31	I	D	1.0467
32	I	D	0.0000
33	G	D	0.0000
34	L	D	1.3103
35	M	D	0.0000
36	V	D	0.9363
37	G	D	-0.2524
1	D	E	-2.7623
2	A	E	0.0000
3	E	E	-2.4957
4	F	E	0.0000
5	R	E	-2.3440
6	H	E	0.0000
7	D	E	-1.5301
8	S	E	-0.2698
9	G	E	0.3225
10	Y	E	1.6488
11	E	E	0.0000
12	V	E	1.2478
13	H	E	0.0000
14	H	E	-1.1264
15	Q	E	0.0000
16	K	E	0.0000
17	L	E	0.0000
18	V	E	0.0000
19	F	E	0.0000
20	F	E	0.0000
21	A	E	0.0000
22	E	E	0.0000
23	D	E	0.0000
24	V	E	0.0000
25	G	E	0.0000
26	S	E	0.0000
27	N	E	0.0000
28	K	E	-0.7726
29	G	E	-0.4253
30	A	E	0.0000
31	I	E	0.7765
32	I	E	0.0000
33	G	E	0.0000
34	L	E	0.9092
35	M	E	0.0000
36	V	E	0.7303
37	G	E	-0.5726
1	D	F	-3.0144
2	A	F	0.0000
3	E	F	-2.9669
4	F	F	0.0000
5	R	F	-2.2494
6	H	F	0.0000
7	D	F	-1.4686
8	S	F	0.0000
9	G	F	0.2592
10	Y	F	1.5648
11	E	F	0.0000
12	V	F	1.1500
13	H	F	0.0000
14	H	F	-1.4570
15	Q	F	0.0000
16	K	F	0.0000
17	L	F	0.0000
18	V	F	0.0000
19	F	F	0.0000
20	F	F	0.0000
21	A	F	0.0000
22	E	F	0.0000
23	D	F	0.0000
24	V	F	0.0000
25	G	F	0.0000
26	S	F	0.0000
27	N	F	0.0000
28	K	F	-0.6984
29	G	F	-0.3992
30	A	F	0.0000
31	I	F	0.7762
32	I	F	0.0000
33	G	F	0.0000
34	L	F	0.9103
35	M	F	0.0000
36	V	F	0.7300
37	G	F	-0.5058
1	D	G	-2.9950
2	A	G	0.0000
3	E	G	-2.9595
4	F	G	0.0000
5	R	G	-1.9985
6	H	G	0.0000
7	D	G	-1.4676
8	S	G	-0.3932
9	G	G	0.2692
10	Y	G	1.7111
11	E	G	0.0000
12	V	G	1.3033
13	H	G	0.0000
14	H	G	-0.9170
15	Q	G	0.0000
16	K	G	0.0000
17	L	G	0.0000
18	V	G	0.0000
19	F	G	0.0000
20	F	G	0.0000
21	A	G	0.0000
22	E	G	0.0000
23	D	G	0.0000
24	V	G	0.0000
25	G	G	0.0000
26	S	G	0.0000
27	N	G	0.0000
28	K	G	-0.5606
29	G	G	-0.3949
30	A	G	0.0000
31	I	G	0.8456
32	I	G	0.0000
33	G	G	0.0000
34	L	G	0.9477
35	M	G	0.0000
36	V	G	0.8011
37	G	G	-0.5919
1	D	H	-3.5953
2	A	H	0.0000
3	E	H	-2.7421
4	F	H	0.0000
5	R	H	-1.6363
6	H	H	0.0000
7	D	H	-1.1152
8	S	H	-0.1717
9	G	H	0.3381
10	Y	H	1.6720
11	E	H	0.0000
12	V	H	1.1289
13	H	H	0.0000
14	H	H	-1.3586
15	Q	H	0.0000
16	K	H	0.0000
17	L	H	0.0000
18	V	H	0.0000
19	F	H	0.0000
20	F	H	0.0000
21	A	H	0.0000
22	E	H	0.0000
23	D	H	0.0000
24	V	H	0.0000
25	G	H	0.0000
26	S	H	0.0000
27	N	H	0.0000
28	K	H	-0.5487
29	G	H	-0.4138
30	A	H	0.0000
31	I	H	0.8395
32	I	H	0.0000
33	G	H	0.0000
34	L	H	0.9961
35	M	H	0.0000
36	V	H	0.8299
37	G	H	-0.5542
1	D	I	-3.6053
2	A	I	-2.6637
3	E	I	-2.4267
4	F	I	0.0000
5	R	I	-2.0799
6	H	I	0.0000
7	D	I	-2.3586
8	S	I	-1.1402
9	G	I	-0.1511
10	Y	I	1.2731
11	E	I	0.0000
12	V	I	1.0064
13	H	I	0.0000
14	H	I	-1.1133
15	Q	I	0.0000
16	K	I	0.0000
17	L	I	0.0000
18	V	I	0.0000
19	F	I	0.0000
20	F	I	0.0000
21	A	I	0.0000
22	E	I	0.0000
23	D	I	0.0000
24	V	I	0.0000
25	G	I	0.0000
26	S	I	0.0000
27	N	I	0.0000
28	K	I	-0.9976
29	G	I	-0.4060
30	A	I	0.0000
31	I	I	1.2313
32	I	I	0.0000
33	G	I	0.0000
34	L	I	1.6236
35	M	I	0.0000
36	V	I	1.2706
37	G	I	-0.2000
1	D	J	-4.0047
2	A	J	-2.9604
3	E	J	-2.6796
4	F	J	0.0000
5	R	J	-1.9883
6	H	J	0.0000
7	D	J	-1.7803
8	S	J	-0.7197
9	G	J	0.2351
10	Y	J	1.7511
11	E	J	0.0000
12	V	J	1.1822
13	H	J	0.0000
14	H	J	-1.6705
15	Q	J	0.0000
16	K	J	0.0000
17	L	J	0.0000
18	V	J	0.0000
19	F	J	0.0000
20	F	J	0.0000
21	A	J	0.0000
22	E	J	0.0000
23	D	J	0.0000
24	V	J	0.0000
25	G	J	0.0000
26	S	J	0.0000
27	N	J	0.0000
28	K	J	-1.0315
29	G	J	-0.4113
30	A	J	0.0000
31	I	J	1.2549
32	I	J	0.0000
33	G	J	0.0000
34	L	J	1.7186
35	M	J	1.2161
36	V	J	1.4069
37	G	J	0.0238
1	D	K	-2.8378
2	A	K	-2.4254
3	E	K	-2.3667
4	F	K	-0.8681
5	R	K	-2.0398
6	H	K	-2.2629
7	D	K	-2.9445
8	S	K	-1.6883
9	G	K	-0.4841
10	Y	K	1.2116
11	E	K	0.2356
12	V	K	0.8388
13	H	K	-0.8211
14	H	K	-1.3975
15	Q	K	0.0000
16	K	K	-0.7446
17	L	K	0.2650
18	V	K	0.4380
19	F	K	0.5849
20	F	K	0.2331
21	A	K	0.0000
22	E	K	-1.5779
23	D	K	-2.1444
24	V	K	-0.8425
25	G	K	-0.9203
26	S	K	-1.1389
27	N	K	-0.6450
28	K	K	-1.3502
29	G	K	-0.4550
30	A	K	0.4937
31	I	K	2.2140
32	I	K	1.5525
33	G	K	1.2963
34	L	K	2.1739
35	M	K	1.4060
36	V	K	2.0185
37	G	K	0.2312
1	D	L	-3.0711
2	A	L	-2.6319
3	E	L	-2.6291
4	F	L	-1.4048
5	R	L	-2.3537
6	H	L	-2.1775
7	D	L	-2.6136
8	S	L	-1.3786
9	G	L	-0.1920
10	Y	L	1.4579
11	E	L	0.5685
12	V	L	1.0211
13	H	L	-0.7945
14	H	L	-1.6209
15	Q	L	-1.2023
16	K	L	-1.3746
17	L	L	0.2037
18	V	L	0.7009
19	F	L	0.9508
20	F	L	0.2482
21	A	L	0.0000
22	E	L	-1.9844
23	D	L	-2.2848
24	V	L	-0.7911
25	G	L	-1.0466
26	S	L	-1.2394
27	N	L	-0.7279
28	K	L	-1.2593
29	G	L	-0.3807
30	A	L	0.5392
31	I	L	2.2903
32	I	L	1.6390
33	G	L	0.9984
34	L	L	2.2323
35	M	L	1.8043
36	V	L	2.1884
37	G	L	0.4377