Project name: b78aca18fd08465

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; C: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; E: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; D: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; G: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; F: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; I: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; H: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; K: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; J: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; L: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
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]                                                (00:00:00)
[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                                          (00:12:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:34)

• Minimal score value: -3.8585
• Maximal score value: 2.5558
• Average score: -0.3943
• Total score value: -198.7429

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	-2.6813
2	A	A	-1.7183
3	E	A	-1.2632
4	F	A	-0.0283
5	R	A	-1.7080
6	H	A	-2.0938
7	D	A	-1.8799
8	S	A	-1.5172
9	G	A	-1.1462
10	Y	A	-0.9507
11	E	A	-2.1686
12	V	A	-1.2807
13	H	A	-1.8523
14	H	A	-2.1878
15	Q	A	-1.5909
16	K	A	-2.0060
17	L	A	0.0000
18	V	A	1.3668
19	F	A	0.0000
20	F	A	1.8053
21	A	A	0.1321
22	E	A	-1.2837
23	D	A	-0.4361
24	V	A	0.9656
25	G	A	-0.0276
26	S	A	-0.8884
27	N	A	-1.2954
28	K	A	-2.3613
29	G	A	-1.0908
30	A	A	0.2408
31	I	A	2.2736
32	I	A	1.7637
33	G	A	1.1570
34	L	A	1.4591
35	M	A	1.7915
36	V	A	1.4459
37	G	A	0.4864
38	G	A	0.6081
39	V	A	1.4992
40	V	A	2.3440
41	I	A	1.5261
42	A	A	0.8198
1	D	B	-3.5542
2	A	B	-2.1511
3	E	B	-1.7785
4	F	B	-0.4719
5	R	B	-1.7783
6	H	B	-2.0805
7	D	B	-1.8432
8	S	B	-1.1451
9	G	B	-1.0413
10	Y	B	0.0000
11	E	B	-1.4972
12	V	B	0.0000
13	H	B	-1.4236
14	H	B	-1.6342
15	Q	B	0.0000
16	K	B	-1.5830
17	L	B	0.0000
18	V	B	0.8145
19	F	B	0.0000
20	F	B	1.1489
21	A	B	0.0000
22	E	B	-1.2393
23	D	B	0.0000
24	V	B	0.7197
25	G	B	0.2397
26	S	B	-0.7241
27	N	B	0.0000
28	K	B	-2.7320
29	G	B	-1.2670
30	A	B	0.0000
31	I	B	1.4798
32	I	B	0.0000
33	G	B	1.0837
34	L	B	0.0000
35	M	B	1.5036
36	V	B	0.0000
37	G	B	0.4059
38	G	B	0.3880
39	V	B	0.0000
40	V	B	1.7132
41	I	B	0.0000
42	A	B	0.7546
1	D	C	-3.7671
2	A	C	-2.3466
3	E	C	-1.8340
4	F	C	-0.3664
5	R	C	-1.7142
6	H	C	-1.4738
7	D	C	0.0000
8	S	C	-0.8072
9	G	C	-0.7388
10	Y	C	0.0000
11	E	C	-1.2502
12	V	C	0.0000
13	H	C	-0.9849
14	H	C	-1.2061
15	Q	C	0.0000
16	K	C	-1.2919
17	L	C	0.0000
18	V	C	0.5770
19	F	C	0.0000
20	F	C	0.6697
21	A	C	0.0000
22	E	C	-1.1246
23	D	C	0.0000
24	V	C	0.7075
25	G	C	0.3111
26	S	C	-0.5835
27	N	C	0.0000
28	K	C	-2.1298
29	G	C	-1.2336
30	A	C	0.0000
31	I	C	1.2708
32	I	C	0.0000
33	G	C	0.6098
34	L	C	0.0000
35	M	C	0.8384
36	V	C	0.0000
37	G	C	-0.0466
38	G	C	0.0630
39	V	C	0.0000
40	V	C	1.2698
41	I	C	0.0000
42	A	C	0.4973
1	D	D	-3.8202
2	A	D	-2.4145
3	E	D	-2.0652
4	F	D	-0.4031
5	R	D	-1.1560
6	H	D	-1.2133
7	D	D	0.0000
8	S	D	-0.6347
9	G	D	-0.6668
10	Y	D	0.0000
11	E	D	-1.1246
12	V	D	0.0000
13	H	D	-1.0217
14	H	D	-1.2761
15	Q	D	0.0000
16	K	D	-1.0379
17	L	D	0.0000
18	V	D	0.5090
19	F	D	0.0000
20	F	D	0.6674
21	A	D	0.0000
22	E	D	-1.1699
23	D	D	0.0000
24	V	D	0.7521
25	G	D	0.2258
26	S	D	-0.5320
27	N	D	0.0000
28	K	D	-2.5821
29	G	D	-1.2075
30	A	D	0.0000
31	I	D	1.0784
32	I	D	0.0000
33	G	D	0.6119
34	L	D	0.0000
35	M	D	0.8946
36	V	D	0.0000
37	G	D	-0.0361
38	G	D	0.0942
39	V	D	0.0000
40	V	D	1.1256
41	I	D	0.0000
42	A	D	0.4620
1	D	E	-3.8585
2	A	E	-2.3916
3	E	E	-1.6858
4	F	E	-0.2466
5	R	E	-1.1841
6	H	E	-1.0062
7	D	E	0.0000
8	S	E	-0.7199
9	G	E	-0.6730
10	Y	E	0.0000
11	E	E	-1.1054
12	V	E	0.0000
13	H	E	-1.0597
14	H	E	-1.2340
15	Q	E	0.0000
16	K	E	-1.0245
17	L	E	0.0000
18	V	E	0.4981
19	F	E	0.0000
20	F	E	0.5609
21	A	E	0.0000
22	E	E	-1.1931
23	D	E	0.0000
24	V	E	0.8830
25	G	E	0.4460
26	S	E	-0.4114
27	N	E	0.0000
28	K	E	-2.0615
29	G	E	-1.1070
30	A	E	0.0000
31	I	E	1.1037
32	I	E	0.0000
33	G	E	0.6464
34	L	E	0.0000
35	M	E	0.7716
36	V	E	0.0000
37	G	E	-0.0116
38	G	E	0.0866
39	V	E	0.0000
40	V	E	1.1366
41	I	E	0.0000
42	A	E	0.4722
1	D	F	-3.8157
2	A	F	-2.1903
3	E	F	-1.6133
4	F	F	-0.0071
5	R	F	0.0000
6	H	F	-1.0810
7	D	F	0.0000
8	S	F	-0.7370
9	G	F	-0.6832
10	Y	F	0.0000
11	E	F	-1.0902
12	V	F	0.0000
13	H	F	-0.9885
14	H	F	-1.1996
15	Q	F	0.0000
16	K	F	-1.0228
17	L	F	0.0000
18	V	F	0.4778
19	F	F	0.0000
20	F	F	0.5428
21	A	F	0.0000
22	E	F	-1.2242
23	D	F	0.0000
24	V	F	1.2424
25	G	F	0.5242
26	S	F	-0.3872
27	N	F	0.0000
28	K	F	-2.3178
29	G	F	-1.1321
30	A	F	0.0000
31	I	F	1.1588
32	I	F	0.0000
33	G	F	0.0000
34	L	F	0.0000
35	M	F	0.8179
36	V	F	0.0000
37	G	F	-0.0335
38	G	F	0.0930
39	V	F	0.0000
40	V	F	1.1573
41	I	F	0.0000
42	A	F	0.4816
1	D	G	-3.8051
2	A	G	-2.2401
3	E	G	-1.5659
4	F	G	-0.0853
5	R	G	-1.0459
6	H	G	-1.1015
7	D	G	-1.0722
8	S	G	-0.8368
9	G	G	-0.7191
10	Y	G	0.0000
11	E	G	-1.0392
12	V	G	0.0000
13	H	G	-0.9436
14	H	G	-1.1075
15	Q	G	0.0000
16	K	G	-1.1842
17	L	G	0.0000
18	V	G	0.5167
19	F	G	0.0000
20	F	G	0.7775
21	A	G	0.0000
22	E	G	-1.0915
23	D	G	0.0000
24	V	G	0.8821
25	G	G	0.3933
26	S	G	-0.4825
27	N	G	0.0000
28	K	G	-2.4621
29	G	G	-1.1915
30	A	G	0.0000
31	I	G	1.1008
32	I	G	0.0000
33	G	G	0.0000
34	L	G	0.0000
35	M	G	0.7389
36	V	G	0.0000
37	G	G	-0.0455
38	G	G	0.0826
39	V	G	0.0000
40	V	G	1.1826
41	I	G	0.0000
42	A	G	0.4939
1	D	H	-3.7535
2	A	H	-2.0829
3	E	H	-1.7462
4	F	H	-0.2399
5	R	H	-1.1752
6	H	H	-1.2340
7	D	H	-1.0967
8	S	H	-0.8289
9	G	H	-0.7324
10	Y	H	0.0000
11	E	H	-1.0527
12	V	H	0.0000
13	H	H	-0.9636
14	H	H	-1.2263
15	Q	H	0.0000
16	K	H	-1.2802
17	L	H	0.0000
18	V	H	0.4265
19	F	H	0.0000
20	F	H	0.9094
21	A	H	0.0000
22	E	H	-1.1669
23	D	H	0.0000
24	V	H	0.7632
25	G	H	0.2608
26	S	H	-0.6244
27	N	H	0.0000
28	K	H	-2.2750
29	G	H	-1.2002
30	A	H	0.0000
31	I	H	1.1545
32	I	H	0.0000
33	G	H	0.0000
34	L	H	0.0000
35	M	H	0.7073
36	V	H	0.0000
37	G	H	-0.0408
38	G	H	0.1034
39	V	H	0.0000
40	V	H	1.2078
41	I	H	0.0000
42	A	H	0.4993
1	D	I	-3.5040
2	A	I	-2.0390
3	E	I	-1.6828
4	F	I	-0.3341
5	R	I	-1.1114
6	H	I	-1.1301
7	D	I	-1.0709
8	S	I	-0.7630
9	G	I	-0.7255
10	Y	I	0.0000
11	E	I	-1.0495
12	V	I	0.0000
13	H	I	-1.0100
14	H	I	-1.2240
15	Q	I	0.0000
16	K	I	-1.3391
17	L	I	0.0000
18	V	I	0.4070
19	F	I	0.0000
20	F	I	0.7385
21	A	I	0.0000
22	E	I	-1.2794
23	D	I	0.0000
24	V	I	0.6951
25	G	I	0.1555
26	S	I	-0.5771
27	N	I	0.0000
28	K	I	-2.5561
29	G	I	-1.1886
30	A	I	0.0000
31	I	I	1.0721
32	I	I	0.0000
33	G	I	0.6247
34	L	I	0.0000
35	M	I	0.7847
36	V	I	0.0000
37	G	I	-0.0382
38	G	I	0.1036
39	V	I	0.0000
40	V	I	1.2203
41	I	I	0.0000
42	A	I	0.5004
1	D	J	-3.6377
2	A	J	-2.3363
3	E	J	-1.9999
4	F	J	-0.5317
5	R	J	-1.2893
6	H	J	-1.0927
7	D	J	0.0000
8	S	J	-0.7953
9	G	J	-0.7522
10	Y	J	0.0000
11	E	J	-1.1513
12	V	J	0.0000
13	H	J	-1.1331
14	H	J	-1.4095
15	Q	J	0.0000
16	K	J	-1.2337
17	L	J	0.0000
18	V	J	0.4555
19	F	J	0.0000
20	F	J	0.8609
21	A	J	0.0000
22	E	J	-1.6616
23	D	J	0.0000
24	V	J	0.7951
25	G	J	0.2142
26	S	J	-0.5373
27	N	J	0.0000
28	K	J	-1.9890
29	G	J	-1.0896
30	A	J	0.0000
31	I	J	1.1969
32	I	J	0.0000
33	G	J	0.6676
34	L	J	0.0000
35	M	J	0.7321
36	V	J	0.0000
37	G	J	0.0170
38	G	J	0.1538
39	V	J	0.0000
40	V	J	1.3481
41	I	J	0.0000
42	A	J	0.4943
1	D	K	-3.7831
2	A	K	-2.8469
3	E	K	-3.3367
4	F	K	-1.3375
5	R	K	-2.1405
6	H	K	-2.1199
7	D	K	-2.0264
8	S	K	-1.3948
9	G	K	-1.0516
10	Y	K	0.0000
11	E	K	-0.7820
12	V	K	0.0000
13	H	K	-1.1283
14	H	K	-1.6792
15	Q	K	0.0000
16	K	K	-1.4632
17	L	K	0.0000
18	V	K	1.0130
19	F	K	0.0000
20	F	K	1.2494
21	A	K	0.0000
22	E	K	-1.9593
23	D	K	-1.5422
24	V	K	0.2189
25	G	K	-0.2184
26	S	K	-1.1743
27	N	K	0.0000
28	K	K	-2.5015
29	G	K	-1.1911
30	A	K	0.0000
31	I	K	1.5772
32	I	K	0.0000
33	G	K	1.1617
34	L	K	0.0000
35	M	K	1.0534
36	V	K	0.0000
37	G	K	0.1284
38	G	K	0.3467
39	V	K	0.0000
40	V	K	1.7573
41	I	K	0.0000
42	A	K	0.7753
1	D	L	-3.1399
2	A	L	-2.3556
3	E	L	-3.0057
4	F	L	-1.3734
5	R	L	-3.0779
6	H	L	-2.9341
7	D	L	-3.0082
8	S	L	-1.8906
9	G	L	-0.9440
10	Y	L	-0.2897
11	E	L	-0.5687
12	V	L	0.7661
13	H	L	-0.9742
14	H	L	-1.9541
15	Q	L	-1.9111
16	K	L	-1.9019
17	L	L	0.1251
18	V	L	1.3701
19	F	L	2.5072
20	F	L	1.8458
21	A	L	-0.1445
22	E	L	-2.3118
23	D	L	-2.2553
24	V	L	0.0900
25	G	L	-0.6911
26	S	L	-1.5288
27	N	L	-2.5820
28	K	L	-2.8842
29	G	L	-1.3847
30	A	L	-0.2663
31	I	L	2.0537
32	I	L	1.9375
33	G	L	1.3930
34	L	L	1.2703
35	M	L	1.1405
36	V	L	0.7320
37	G	L	0.2680
38	G	L	0.1271
39	V	L	1.4299
40	V	L	2.5558
41	I	L	1.9347
42	A	L	0.9345