Project name: 4e1408bca35119b

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; M: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; L: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; O: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; N: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; Q: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; P: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; S: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; R: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; T: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:20:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:20:34)

• Minimal score value: -3.7532
• Maximal score value: 3.1451
• Average score: -0.1633
• Total score value: -137.1846

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	-3.3761
2	A	A	-2.2623
3	E	A	-1.7969
4	F	A	0.0000
5	R	A	-1.6399
6	H	A	-1.8753
7	D	A	-1.4843
8	S	A	-0.7396
9	G	A	-0.0432
10	Y	A	1.2471
11	E	A	0.0000
12	V	A	1.5690
13	H	A	0.0000
14	H	A	-0.1392
15	Q	A	0.0000
16	K	A	0.0000
17	L	A	0.0000
18	V	A	0.0000
19	F	A	0.0000
20	F	A	0.0000
21	A	A	-0.0175
22	E	A	0.2490
23	D	A	0.0000
24	V	A	1.8766
25	G	A	1.1106
26	S	A	-0.1411
27	N	A	-0.8551
28	K	A	-1.6538
29	G	A	0.0000
30	A	A	0.0000
31	I	A	0.0000
32	I	A	0.4508
33	G	A	0.1566
34	L	A	0.0000
35	M	A	0.2770
36	V	A	0.0000
37	G	A	0.0000
38	G	A	-0.0064
39	V	A	0.0000
40	V	A	0.6641
41	I	A	0.0000
42	A	A	0.3327
1	D	B	-3.4744
2	A	B	0.0000
3	E	B	-2.1339
4	F	B	0.0000
5	R	B	-2.2605
6	H	B	-2.4121
7	D	B	-2.0028
8	S	B	-1.0010
9	G	B	-0.1989
10	Y	B	1.2577
11	E	B	0.9618
12	V	B	1.3901
13	H	B	0.0000
14	H	B	-0.5023
15	Q	B	0.0000
16	K	B	-0.6467
17	L	B	0.0000
18	V	B	0.0000
19	F	B	0.0000
20	F	B	0.0000
21	A	B	-0.2494
22	E	B	0.0000
23	D	B	-0.3511
24	V	B	0.9301
25	G	B	0.6290
26	S	B	-0.8200
27	N	B	-1.5636
28	K	B	-2.1641
29	G	B	0.0000
30	A	B	0.0000
31	I	B	0.0000
32	I	B	0.9298
33	G	B	0.6973
34	L	B	0.0000
35	M	B	0.4769
36	V	B	0.0000
37	G	B	0.0000
38	G	B	0.0000
39	V	B	0.0000
40	V	B	0.9547
41	I	B	0.0000
42	A	B	0.4884
1	D	C	-2.8421
2	A	C	-2.0538
3	E	C	-2.2107
4	F	C	-1.6089
5	R	C	-3.0562
6	H	C	-2.8206
7	D	C	-2.2163
8	S	C	-1.3293
9	G	C	-0.2246
10	Y	C	1.2257
11	E	C	0.3865
12	V	C	1.2114
13	H	C	-0.7900
14	H	C	-1.2849
15	Q	C	-1.1838
16	K	C	-0.8489
17	L	C	0.8253
18	V	C	1.2194
19	F	C	1.8666
20	F	C	1.0440
21	A	C	-0.3512
22	E	C	-1.6760
23	D	C	-1.7262
24	V	C	0.7011
25	G	C	-0.0455
26	S	C	-1.1631
27	N	C	-2.1571
28	K	C	-2.7242
29	G	C	-1.3204
30	A	C	-0.5509
31	I	C	0.9187
32	I	C	1.6535
33	G	C	0.8924
34	L	C	1.1410
35	M	C	0.8862
36	V	C	0.5443
37	G	C	0.1585
38	G	C	0.1367
39	V	C	0.9055
40	V	C	1.4608
41	I	C	0.9630
42	A	C	0.6124
1	D	D	-2.9396
2	A	D	-1.9436
3	E	D	-2.2787
4	F	D	-1.4490
5	R	D	-2.8113
6	H	D	-2.5781
7	D	D	-1.8578
8	S	D	-0.9632
9	G	D	0.2022
10	Y	D	1.5862
11	E	D	0.6047
12	V	D	1.3525
13	H	D	-0.7528
14	H	D	-1.3654
15	Q	D	-0.9370
16	K	D	-0.2274
17	L	D	1.4190
18	V	D	1.8642
19	F	D	2.4268
20	F	D	1.5885
21	A	D	-0.1215
22	E	D	-1.6369
23	D	D	-1.8135
24	V	D	0.6411
25	G	D	-0.0898
26	S	D	-1.1056
27	N	D	-1.9665
28	K	D	-1.7585
29	G	D	-0.5247
30	A	D	-0.5173
31	I	D	0.0000
32	I	D	0.9054
33	G	D	0.6406
34	L	D	1.1267
35	M	D	0.7609
36	V	D	0.6175
37	G	D	0.0000
38	G	D	0.0822
39	V	D	0.5911
40	V	D	1.2420
41	I	D	0.8253
42	A	D	0.5685
1	D	E	-3.6211
2	A	E	0.0000
3	E	E	-2.0613
4	F	E	-1.2227
5	R	E	-1.9990
6	H	E	-2.3075
7	D	E	-1.7248
8	S	E	-0.6463
9	G	E	0.3743
10	Y	E	2.1508
11	E	E	0.0000
12	V	E	1.6079
13	H	E	0.0000
14	H	E	-0.4906
15	Q	E	0.0000
16	K	E	-0.2509
17	L	E	0.0000
18	V	E	0.0000
19	F	E	0.0000
20	F	E	0.0000
21	A	E	-0.1333
22	E	E	0.0000
23	D	E	-0.4322
24	V	E	0.9900
25	G	E	0.5236
26	S	E	-0.6618
27	N	E	-1.1487
28	K	E	-1.5242
29	G	E	0.0000
30	A	E	0.0000
31	I	E	0.0000
32	I	E	0.5784
33	G	E	0.4306
34	L	E	0.0000
35	M	E	0.4395
36	V	E	0.0000
37	G	E	0.0000
38	G	E	0.0000
39	V	E	0.0000
40	V	E	0.8634
41	I	E	0.0000
42	A	E	0.4847
1	D	F	-3.7532
2	A	F	-2.4328
3	E	F	-1.7501
4	F	F	0.0000
5	R	F	-1.4434
6	H	F	-1.6979
7	D	F	-1.1546
8	S	F	-0.4621
9	G	F	0.3295
10	Y	F	1.6385
11	E	F	0.0000
12	V	F	1.6729
13	H	F	0.0000
14	H	F	-0.1827
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	-0.0559
22	E	F	0.0729
23	D	F	0.0000
24	V	F	1.7306
25	G	F	0.9004
26	S	F	-0.1061
27	N	F	-0.6848
28	K	F	-1.1044
29	G	F	0.0000
30	A	F	0.0000
31	I	F	0.0000
32	I	F	0.4177
33	G	F	0.1530
34	L	F	0.0000
35	M	F	0.2263
36	V	F	0.0000
37	G	F	0.0000
38	G	F	-0.0204
39	V	F	0.0000
40	V	F	0.6145
41	I	F	0.0000
42	A	F	0.3135
1	D	G	-3.7516
2	A	G	0.0000
3	E	G	-1.7040
4	F	G	-0.6793
5	R	G	-1.2608
6	H	G	-1.3778
7	D	G	-1.1095
8	S	G	-0.4260
9	G	G	0.3201
10	Y	G	1.6768
11	E	G	0.0000
12	V	G	1.4794
13	H	G	0.0000
14	H	G	-0.0968
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	-0.0239
22	E	G	0.3637
23	D	G	0.0000
24	V	G	1.8648
25	G	G	1.1155
26	S	G	0.0943
27	N	G	0.0000
28	K	G	-1.2103
29	G	G	0.0000
30	A	G	0.0000
31	I	G	0.0000
32	I	G	0.3623
33	G	G	0.1925
34	L	G	0.0000
35	M	G	0.2418
36	V	G	0.0000
37	G	G	0.0000
38	G	G	-0.0187
39	V	G	0.0000
40	V	G	0.5622
41	I	G	0.4541
42	A	G	0.3608
1	D	H	-3.7201
2	A	H	-2.3140
3	E	H	-1.7241
4	F	H	0.0000
5	R	H	-1.2276
6	H	H	-1.3381
7	D	H	-1.0725
8	S	H	-0.2691
9	G	H	0.6327
10	Y	H	1.9438
11	E	H	0.0000
12	V	H	1.7118
13	H	H	0.0000
14	H	H	-0.0433
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	0.1214
22	E	H	0.0000
23	D	H	0.0000
24	V	H	2.2784
25	G	H	1.2109
26	S	H	0.0946
27	N	H	0.0000
28	K	H	-1.2018
29	G	H	0.0000
30	A	H	0.0000
31	I	H	0.0000
32	I	H	0.2864
33	G	H	0.1452
34	L	H	0.0000
35	M	H	0.2204
36	V	H	0.0000
37	G	H	0.0000
38	G	H	-0.0283
39	V	H	0.0000
40	V	H	0.5181
41	I	H	0.0000
42	A	H	0.3170
1	D	I	-3.6819
2	A	I	0.0000
3	E	I	-1.7389
4	F	I	0.0000
5	R	I	-1.3460
6	H	I	-1.3941
7	D	I	-1.1294
8	S	I	-0.3328
9	G	I	0.7595
10	Y	I	2.2995
11	E	I	0.0000
12	V	I	1.8395
13	H	I	0.0000
14	H	I	-0.0817
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	0.0797
22	E	I	0.0000
23	D	I	0.0000
24	V	I	2.0040
25	G	I	1.0592
26	S	I	0.0143
27	N	I	0.0000
28	K	I	-1.3835
29	G	I	0.0000
30	A	I	0.0000
31	I	I	0.0000
32	I	I	0.1810
33	G	I	0.0087
34	L	I	0.0000
35	M	I	0.1915
36	V	I	0.0000
37	G	I	0.0000
38	G	I	-0.0245
39	V	I	0.0000
40	V	I	0.4650
41	I	I	0.0000
42	A	I	0.2645
1	D	J	-3.6547
2	A	J	-2.2770
3	E	J	-1.7384
4	F	J	0.0000
5	R	J	-1.3560
6	H	J	-1.4903
7	D	J	-1.2282
8	S	J	-0.3618
9	G	J	0.5772
10	Y	J	1.9303
11	E	J	0.0000
12	V	J	1.7282
13	H	J	0.0000
14	H	J	-0.0755
15	Q	J	0.0000
16	K	J	-0.2538
17	L	J	0.0000
18	V	J	0.0000
19	F	J	0.0000
20	F	J	0.0000
21	A	J	0.0996
22	E	J	0.0000
23	D	J	0.7887
24	V	J	2.0508
25	G	J	0.9955
26	S	J	-0.1101
27	N	J	-0.7294
28	K	J	-1.4108
29	G	J	0.0000
30	A	J	0.0000
31	I	J	0.0000
32	I	J	0.0000
33	G	J	-0.0164
34	L	J	0.0000
35	M	J	0.1858
36	V	J	0.0000
37	G	J	0.0000
38	G	J	-0.0011
39	V	J	0.0000
40	V	J	0.5555
41	I	J	0.0000
42	A	J	0.3269
1	D	K	-3.6256
2	A	K	0.0000
3	E	K	-1.8024
4	F	K	0.0000
5	R	K	-1.6003
6	H	K	-1.6505
7	D	K	-1.5168
8	S	K	-0.5795
9	G	K	0.4729
10	Y	K	2.2096
11	E	K	0.0000
12	V	K	1.8933
13	H	K	0.0000
14	H	K	-0.1839
15	Q	K	0.0000
16	K	K	0.0000
17	L	K	0.0000
18	V	K	0.0000
19	F	K	0.0000
20	F	K	0.0000
21	A	K	0.0579
22	E	K	0.0000
23	D	K	0.0000
24	V	K	1.8218
25	G	K	1.0879
26	S	K	-0.0468
27	N	K	-0.6879
28	K	K	-1.3023
29	G	K	0.0000
30	A	K	0.0000
31	I	K	0.0000
32	I	K	0.2111
33	G	K	0.0000
34	L	K	0.0000
35	M	K	0.2708
36	V	K	0.0000
37	G	K	0.0000
38	G	K	0.0000
39	V	K	0.0000
40	V	K	0.7488
41	I	K	0.7022
42	A	K	0.3814
1	D	L	-3.4914
2	A	L	-2.3198
3	E	L	-1.8603
4	F	L	0.0000
5	R	L	-2.0343
6	H	L	-2.2715
7	D	L	-2.1387
8	S	L	-1.2371
9	G	L	-0.0852
10	Y	L	1.3471
11	E	L	0.0000
12	V	L	1.3878
13	H	L	0.0000
14	H	L	-0.5108
15	Q	L	0.0000
16	K	L	-0.7249
17	L	L	0.0000
18	V	L	0.0000
19	F	L	0.0000
20	F	L	0.0000
21	A	L	-0.1028
22	E	L	0.0000
23	D	L	0.4492
24	V	L	1.9383
25	G	L	0.7157
26	S	L	-0.3359
27	N	L	-1.1469
28	K	L	-1.5998
29	G	L	0.0000
30	A	L	0.0000
31	I	L	0.0000
32	I	L	0.0000
33	G	L	0.0000
34	L	L	0.0000
35	M	L	0.5366
36	V	L	0.0000
37	G	L	0.0000
38	G	L	0.3745
39	V	L	0.0000
40	V	L	1.7261
41	I	L	0.0000
42	A	L	1.0503
1	D	M	-2.8262
2	A	M	-2.2378
3	E	M	-1.7819
4	F	M	-0.8624
5	R	M	-2.3612
6	H	M	-2.8124
7	D	M	-2.9255
8	S	M	-1.7543
9	G	M	-0.5698
10	Y	M	1.1087
11	E	M	0.0015
12	V	M	1.0258
13	H	M	-0.3278
14	H	M	-1.0481
15	Q	M	-1.1568
16	K	M	-1.2379
17	L	M	0.2514
18	V	M	0.9123
19	F	M	1.1263
20	F	M	0.8502
21	A	M	-0.2280
22	E	M	-0.9918
23	D	M	-0.0837
24	V	M	1.3359
25	G	M	-0.1009
26	S	M	-0.8135
27	N	M	-1.5519
28	K	M	-2.1057
29	G	M	-0.4147
30	A	M	-0.0138
31	I	M	1.2589
32	I	M	1.1268
33	G	M	0.5625
34	L	M	0.8924
35	M	M	1.1246
36	V	M	0.7799
37	G	M	0.3106
38	G	M	0.5024
39	V	M	2.1048
40	V	M	2.9685
41	I	M	3.1451
42	A	M	1.5938
1	D	N	-2.6203
2	A	N	-1.7747
3	E	N	-1.3251
4	F	N	-0.0129
5	R	N	-2.1136
6	H	N	-2.6735
7	D	N	-2.8114
8	S	N	-1.7834
9	G	N	-0.5042
10	Y	N	1.0650
11	E	N	0.0764
12	V	N	1.2647
13	H	N	-0.2266
14	H	N	-1.0511
15	Q	N	-0.9456
16	K	N	-1.0387
17	L	N	0.4366
18	V	N	1.1941
19	F	N	1.1941
20	F	N	1.0448
21	A	N	0.0027
22	E	N	-0.5729
23	D	N	0.0983
24	V	N	1.4721
25	G	N	-0.0772
26	S	N	-0.8290
27	N	N	-1.5630
28	K	N	-2.3374
29	G	N	0.0000
30	A	N	-0.1949
31	I	N	0.6062
32	I	N	0.8805
33	G	N	0.4266
34	L	N	0.8618
35	M	N	0.7339
36	V	N	0.6825
37	G	N	0.3724
38	G	N	0.4352
39	V	N	0.9698
40	V	N	1.8417
41	I	N	1.4630
42	A	N	0.9512
1	D	O	-3.2305
2	A	O	-2.1058
3	E	O	-1.6245
4	F	O	0.0000
5	R	O	-1.8523
6	H	O	-2.1649
7	D	O	-2.0931
8	S	O	-1.3405
9	G	O	-0.2153
10	Y	O	1.0992
11	E	O	0.0000
12	V	O	1.3078
13	H	O	0.0000
14	H	O	-0.4405
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