Project name: efd795c3caeafdb

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; C: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; E: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; D: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; G: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; F: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; I: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; H: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
Selected Chain(s)	A,C,B,E,D,G,F,I,H
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                                          (00:05:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:52)

• Minimal score value: -3.8795
• Maximal score value: 2.9603
• Average score: -0.3021
• Total score value: -108.7506

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	-2.9905
2	A	A	-2.1747
3	E	A	-3.0530
4	F	A	-1.5099
5	R	A	-2.4793
6	H	A	-2.3623
7	D	A	0.0000
8	S	A	-0.7406
9	G	A	-0.1633
10	Y	A	1.0879
11	E	A	0.6749
12	V	A	1.3023
13	H	A	-0.4165
14	H	A	-1.8285
15	Q	A	-2.1767
16	K	A	-1.8735
17	L	A	0.3595
18	V	A	2.1047
19	F	A	1.4950
20	F	A	0.1169
21	A	A	-0.9143
22	E	A	-3.2093
23	D	A	-2.7261
24	V	A	-1.7886
25	G	A	0.0000
26	S	A	-0.8160
27	N	A	-0.4470
28	K	A	-0.6394
29	G	A	-0.4055
30	A	A	0.7936
31	I	A	1.0174
32	I	A	1.3741
33	G	A	0.4359
34	L	A	0.7945
35	M	A	0.9650
36	V	A	0.5866
37	G	A	-0.2929
38	G	A	0.8544
39	V	A	2.0548
40	V	A	2.2128
1	D	B	-2.8627
2	A	B	-1.9757
3	E	B	-2.7606
4	F	B	-1.1399
5	R	B	-2.2714
6	H	B	-2.2045
7	D	B	0.0000
8	S	B	-0.5488
9	G	B	-0.0328
10	Y	B	1.2328
11	E	B	0.5024
12	V	B	0.7051
13	H	B	-0.8520
14	H	B	-2.1638
15	Q	B	-2.3177
16	K	B	-1.9870
17	L	B	0.3008
18	V	B	2.0346
19	F	B	1.4517
20	F	B	0.2105
21	A	B	-0.8252
22	E	B	-3.0247
23	D	B	-2.4285
24	V	B	-1.6210
25	G	B	0.0000
26	S	B	-0.8222
27	N	B	-0.5972
28	K	B	-0.8643
29	G	B	-0.5109
30	A	B	0.8727
31	I	B	1.0421
32	I	B	1.3705
33	G	B	0.3235
34	L	B	0.6674
35	M	B	0.8673
36	V	B	0.5529
37	G	B	-0.3820
38	G	B	0.7354
39	V	B	2.0252
40	V	B	2.1455
1	D	C	-2.8461
2	A	C	-1.9415
3	E	C	-2.6742
4	F	C	-0.9595
5	R	C	-2.1731
6	H	C	-2.1164
7	D	C	0.0000
8	S	C	-0.5598
9	G	C	0.0207
10	Y	C	1.3046
11	E	C	0.8749
12	V	C	1.4886
13	H	C	-0.4087
14	H	C	-1.9688
15	Q	C	-2.2926
16	K	C	-1.9903
17	L	C	0.2886
18	V	C	2.0421
19	F	C	1.4539
20	F	C	0.0973
21	A	C	-0.9505
22	E	C	-3.2320
23	D	C	-2.7725
24	V	C	-1.9021
25	G	C	0.0000
26	S	C	-1.0339
27	N	C	-0.8090
28	K	C	-1.2193
29	G	C	-0.6800
30	A	C	0.6758
31	I	C	0.9133
32	I	C	1.5929
33	G	C	0.6772
34	L	C	1.2060
35	M	C	1.9177
36	V	C	1.0713
37	G	C	-0.1580
38	G	C	1.2032
39	V	C	2.5198
40	V	C	2.9603
1	D	D	-3.8795
2	A	D	-2.8122
3	E	D	-3.5698
4	F	D	-1.3848
5	R	D	-1.8353
6	H	D	-1.9840
7	D	D	0.0000
8	S	D	-0.5061
9	G	D	0.0000
10	Y	D	1.0791
11	E	D	0.6982
12	V	D	0.7569
13	H	D	0.0000
14	H	D	-1.8813
15	Q	D	0.0000
16	K	D	-2.0855
17	L	D	0.0000
18	V	D	1.6226
19	F	D	0.0000
20	F	D	0.0000
21	A	D	-0.9853
22	E	D	-3.3255
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	0.0000
29	G	D	-0.3879
30	A	D	0.0000
31	I	D	0.0000
32	I	D	1.2645
33	G	D	0.7441
34	L	D	0.0000
35	M	D	1.1703
36	V	D	0.0000
37	G	D	0.0000
38	G	D	1.2686
39	V	D	1.9270
40	V	D	2.3356
1	D	E	-3.6714
2	A	E	-2.4025
3	E	E	-2.8648
4	F	E	-1.2146
5	R	E	-1.8090
6	H	E	-1.9561
7	D	E	0.0000
8	S	E	-0.3470
9	G	E	0.0000
10	Y	E	1.7771
11	E	E	1.0800
12	V	E	0.8007
13	H	E	-0.9915
14	H	E	-2.4856
15	Q	E	0.0000
16	K	E	-2.2330
17	L	E	0.0000
18	V	E	1.3993
19	F	E	0.0000
20	F	E	0.0000
21	A	E	-0.9161
22	E	E	-3.0799
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	0.0000
29	G	E	-0.4550
30	A	E	0.0000
31	I	E	0.0000
32	I	E	1.1567
33	G	E	0.5287
34	L	E	0.0000
35	M	E	0.0000
36	V	E	0.0000
37	G	E	0.0000
38	G	E	0.0000
39	V	E	1.8026
40	V	E	2.1012
1	D	F	-3.6607
2	A	F	-2.3609
3	E	F	-2.7158
4	F	F	-0.9813
5	R	F	-1.5206
6	H	F	-1.7263
7	D	F	0.0000
8	S	F	-0.4407
9	G	F	0.0000
10	Y	F	1.1968
11	E	F	0.9315
12	V	F	0.9934
13	H	F	0.0000
14	H	F	-2.3416
15	Q	F	0.0000
16	K	F	-2.2586
17	L	F	0.0000
18	V	F	1.4633
19	F	F	0.0000
20	F	F	0.0000
21	A	F	-1.0123
22	E	F	-3.3248
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	0.0000
29	G	F	-0.6042
30	A	F	0.0000
31	I	F	0.0000
32	I	F	1.3504
33	G	F	0.9706
34	L	F	0.0000
35	M	F	1.4671
36	V	F	0.0000
37	G	F	0.0000
38	G	F	1.1437
39	V	F	2.1245
40	V	F	2.3377
1	D	G	-2.8668
2	A	G	-2.0201
3	E	G	-2.4259
4	F	G	-0.2433
5	R	G	-1.6621
6	H	G	-2.0342
7	D	G	-2.2921
8	S	G	-1.1858
9	G	G	0.0000
10	Y	G	0.8127
11	E	G	-0.0678
12	V	G	0.5561
13	H	G	-0.9507
14	H	G	-1.8568
15	Q	G	-2.4137
16	K	G	-2.1096
17	L	G	-0.2284
18	V	G	1.7060
19	F	G	1.7333
20	F	G	0.6948
21	A	G	-0.4048
22	E	G	-2.5372
23	D	G	-1.5689
24	V	G	-1.4504
25	G	G	-1.1174
26	S	G	0.0000
27	N	G	-0.7501
28	K	G	-0.6053
29	G	G	-0.2363
30	A	G	0.8695
31	I	G	1.2140
32	I	G	1.6722
33	G	G	0.7950
34	L	G	1.2672
35	M	G	1.8800
36	V	G	0.9365
37	G	G	-0.3789
38	G	G	0.7471
39	V	G	2.1769
40	V	G	2.8228
1	D	H	-2.6785
2	A	H	-1.6967
3	E	H	-1.9782
4	F	H	-0.2266
5	R	H	-2.0469
6	H	H	-2.3423
7	D	H	-2.4716
8	S	H	-1.1368
9	G	H	0.0000
10	Y	H	1.3383
11	E	H	0.7957
12	V	H	1.0775
13	H	H	-0.9121
14	H	H	-2.0151
15	Q	H	-2.5850
16	K	H	-2.1971
17	L	H	-0.2649
18	V	H	1.6519
19	F	H	1.6672
20	F	H	0.6657
21	A	H	-0.3886
22	E	H	-2.4556
23	D	H	-1.4677
24	V	H	-1.3268
25	G	H	-1.0972
26	S	H	0.0000
27	N	H	-0.9146
28	K	H	-0.5918
29	G	H	-0.3008
30	A	H	0.8574
31	I	H	1.2153
32	I	H	1.6415
33	G	H	0.7979
34	L	H	1.0837
35	M	H	1.4203
36	V	H	0.7318
37	G	H	-0.4944
38	G	H	0.6994
39	V	H	1.8990
40	V	H	2.6542
1	D	I	-2.6602
2	A	I	-1.6640
3	E	I	-1.8260
4	F	I	0.0131
5	R	I	-1.5942
6	H	I	-2.1098
7	D	I	-2.3512
8	S	I	-1.2294
9	G	I	0.0000
10	Y	I	0.8674
11	E	I	0.0984
12	V	I	0.7611
13	H	I	-0.8478
14	H	I	-1.9636
15	Q	I	-2.6536
16	K	I	-2.2490
17	L	I	-0.2667
18	V	I	1.7112
19	F	I	1.7121
20	F	I	0.6908
21	A	I	-0.3992
22	E	I	-2.5104
23	D	I	-1.5189
24	V	I	-1.3298
25	G	I	-1.0899
26	S	I	0.0000
27	N	I	-0.9141
28	K	I	-0.5819
29	G	I	-0.2679
30	A	I	0.9135
31	I	I	1.2574
32	I	I	1.7492
33	G	I	1.0206
34	L	I	1.2596
35	M	I	1.5558
36	V	I	0.7859
37	G	I	-0.4951
38	G	I	0.6238
39	V	I	1.8691
40	V	I	2.6276