Project name: poonia

Chain sequence(s)	A: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; C: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; B: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; E: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; D: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; G: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; F: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; I: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; H: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; K: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; J: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV; L: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
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                                          (00:09:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:27)

• Minimal score value: -3.2848
• Maximal score value: 4.0673
• Average score: 0.1452
• Total score value: 55.7479

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
9	G	A	-0.1374
10	Y	A	0.3818
11	E	A	-0.8936
12	V	A	-0.3215
13	H	A	-1.6882
14	H	A	-2.6532
15	Q	A	-3.1500
16	K	A	-2.7189
17	L	A	-0.3611
18	V	A	1.4583
19	F	A	2.2249
20	F	A	2.2197
21	A	A	0.2887
22	E	A	-1.2570
23	D	A	-0.7408
24	V	A	0.5874
25	G	A	-0.8447
26	S	A	-1.4604
27	N	A	-2.5082
28	K	A	-3.2848
29	G	A	-1.6649
30	A	A	-0.4597
31	I	A	1.7076
32	I	A	2.5873
33	G	A	2.2532
34	L	A	2.8544
35	M	A	3.0158
36	V	A	3.0975
37	G	A	2.3562
38	G	A	2.0215
39	V	A	3.3808
40	V	A	2.7965
9	G	B	-0.1039
10	Y	B	0.8828
11	E	B	0.0128
12	V	B	-0.1645
13	H	B	-1.3588
14	H	B	-2.1293
15	Q	B	-2.9610
16	K	B	-2.3923
17	L	B	0.0000
18	V	B	0.0000
19	F	B	0.0000
20	F	B	1.7227
21	A	B	-0.0187
22	E	B	-0.8395
23	D	B	0.0000
24	V	B	1.1302
25	G	B	-0.5599
26	S	B	-1.6030
27	N	B	-2.7191
28	K	B	-3.2429
29	G	B	-1.5292
30	A	B	-0.8023
31	I	B	1.3167
32	I	B	1.9751
33	G	B	1.8992
34	L	B	2.1331
35	M	B	0.0000
36	V	B	2.4466
37	G	B	0.0000
38	G	B	2.7146
39	V	B	4.0673
40	V	B	3.5328
9	G	C	0.1496
10	Y	C	0.8610
11	E	C	-0.0542
12	V	C	0.0549
13	H	C	-0.7339
14	H	C	-1.4647
15	Q	C	-1.7808
16	K	C	-1.8037
17	L	C	0.0000
18	V	C	0.4581
19	F	C	0.0000
20	F	C	0.9981
21	A	C	-0.1521
22	E	C	-0.4945
23	D	C	0.0000
24	V	C	1.3812
25	G	C	0.3195
26	S	C	-0.7086
27	N	C	-1.8561
28	K	C	-1.6073
29	G	C	-0.9415
30	A	C	0.0000
31	I	C	0.0000
32	I	C	0.9165
33	G	C	0.0000
34	L	C	0.0000
35	M	C	0.0000
36	V	C	1.2205
37	G	C	0.0000
38	G	C	2.2822
39	V	C	3.9495
40	V	C	3.9569
9	G	D	-0.1371
10	Y	D	0.6995
11	E	D	-0.1876
12	V	D	0.1035
13	H	D	-0.9794
14	H	D	-1.3286
15	Q	D	-1.6782
16	K	D	-1.4782
17	L	D	0.0000
18	V	D	0.8613
19	F	D	0.0000
20	F	D	1.3315
21	A	D	-0.1825
22	E	D	-0.7082
23	D	D	-0.3419
24	V	D	1.2718
25	G	D	0.2641
26	S	D	0.0000
27	N	D	0.0000
28	K	D	0.0000
29	G	D	-0.1590
30	A	D	0.0000
31	I	D	0.3238
32	I	D	0.0000
33	G	D	0.2270
34	L	D	0.0000
35	M	D	0.0000
36	V	D	0.5232
37	G	D	0.0000
38	G	D	1.3168
39	V	D	3.0098
40	V	D	3.3221
9	G	E	-0.7651
10	Y	E	-0.6054
11	E	E	-1.6341
12	V	E	-0.8554
13	H	E	-1.4372
14	H	E	-1.7352
15	Q	E	-1.7918
16	K	E	-1.4337
17	L	E	0.3942
18	V	E	1.8927
19	F	E	2.7578
20	F	E	1.9972
21	A	E	0.0382
22	E	E	-1.1884
23	D	E	-1.4846
24	V	E	-0.3939
25	G	E	-0.9998
26	S	E	-0.7935
27	N	E	-1.6998
28	K	E	-1.6967
29	G	E	-0.9847
30	A	E	0.0000
31	I	E	0.0000
32	I	E	0.9684
33	G	E	0.0000
34	L	E	0.0000
35	M	E	0.0000
36	V	E	0.4761
37	G	E	0.0000
38	G	E	1.3733
39	V	E	2.6802
40	V	E	2.8821
9	G	F	-0.1492
10	Y	F	0.0777
11	E	F	-1.6465
12	V	F	-0.9922
13	H	F	-1.7446
14	H	F	-2.1532
15	Q	F	-2.4074
16	K	F	-1.6881
17	L	F	1.1767
18	V	F	2.5400
19	F	F	3.7677
20	F	F	2.5102
21	A	F	0.2367
22	E	F	-1.8041
23	D	F	-2.0236
24	V	F	0.0580
25	G	F	-0.2859
26	S	F	-0.4864
27	N	F	-1.5323
28	K	F	0.0000
29	G	F	-0.7621
30	A	F	-0.5099
31	I	F	0.6699
32	I	F	1.4873
33	G	F	1.0740
34	L	F	1.1619
35	M	F	0.8492
36	V	F	0.6667
37	G	F	0.5052
38	G	F	1.1592
39	V	F	1.8898
40	V	F	1.7379
9	G	G	-0.1724
10	Y	G	0.1774
11	E	G	-1.1966
12	V	G	-0.9147
13	H	G	-1.8522
14	H	G	-2.4949
15	Q	G	-2.7960
16	K	G	-2.2427
17	L	G	0.3517
18	V	G	2.1004
19	F	G	2.3945
20	F	G	2.5518
21	A	G	1.0135
22	E	G	-0.1132
23	D	G	0.2362
24	V	G	0.9590
25	G	G	-0.4463
26	S	G	-0.8994
27	N	G	-2.2708
28	K	G	-3.0332
29	G	G	-1.9343
30	A	G	-0.1343
31	I	G	2.1191
32	I	G	3.1954
33	G	G	2.7214
34	L	G	2.6036
35	M	G	2.3837
36	V	G	2.3760
37	G	G	1.5412
38	G	G	1.8430
39	V	G	3.0067
40	V	G	3.0018
9	G	H	-0.0906
10	Y	H	0.7502
11	E	H	-0.0616
12	V	H	-0.3643
13	H	H	-0.8198
14	H	H	0.0000
15	Q	H	-2.1458
16	K	H	-1.9207
17	L	H	-0.1489
18	V	H	1.2780
19	F	H	0.0000
20	F	H	1.6587
21	A	H	0.4597
22	E	H	-0.3638
23	D	H	0.0000
24	V	H	0.1216
25	G	H	-0.9045
26	S	H	-1.2990
27	N	H	-2.1986
28	K	H	-2.5778
29	G	H	-0.7785
30	A	H	-0.2439
31	I	H	0.0000
32	I	H	2.0872
33	G	H	0.0000
34	L	H	2.0152
35	M	H	0.0000
36	V	H	1.6048
37	G	H	0.0000
38	G	H	1.7239
39	V	H	3.0414
40	V	H	3.3447
9	G	I	0.1841
10	Y	I	1.2077
11	E	I	0.6290
12	V	I	0.2880
13	H	I	-1.1628
14	H	I	-1.9834
15	Q	I	-1.9292
16	K	I	-1.8564
17	L	I	-0.1712
18	V	I	0.0000
19	F	I	0.0000
20	F	I	0.9132
21	A	I	0.0000
22	E	I	-1.1430
23	D	I	-0.8748
24	V	I	0.2980
25	G	I	-0.4425
26	S	I	-1.2125
27	N	I	-2.0455
28	K	I	0.0000
29	G	I	-0.7181
30	A	I	0.0000
31	I	I	0.7385
32	I	I	1.0200
33	G	I	0.0000
34	L	I	0.8967
35	M	I	0.0000
36	V	I	0.6695
37	G	I	0.0000
38	G	I	1.3831
39	V	I	3.0827
40	V	I	3.3993
9	G	J	0.3232
10	Y	J	1.3578
11	E	J	0.8103
12	V	J	1.0282
13	H	J	-0.4225
14	H	J	-1.7289
15	Q	J	-1.7943
16	K	J	-1.7093
17	L	J	0.0672
18	V	J	0.8098
19	F	J	1.7105
20	F	J	1.0594
21	A	J	0.0000
22	E	J	-1.1732
23	D	J	-0.9769
24	V	J	-0.2651
25	G	J	-0.6751
26	S	J	-1.0825
27	N	J	-1.9930
28	K	J	0.0000
29	G	J	0.1020
30	A	J	0.0000
31	I	J	0.4822
32	I	J	0.0000
33	G	J	0.0000
34	L	J	0.0000
35	M	J	0.0000
36	V	J	0.0000
37	G	J	0.0000
38	G	J	0.9763
39	V	J	2.4584
40	V	J	3.0710
9	G	K	0.0774
10	Y	K	1.2880
11	E	K	0.6477
12	V	K	0.7479
13	H	K	-0.6669
14	H	K	-1.5506
15	Q	K	-1.9112
16	K	K	-1.4751
17	L	K	0.6511
18	V	K	1.9116
19	F	K	2.8526
20	F	K	1.8538
21	A	K	0.0587
22	E	K	-1.1144
23	D	K	-0.8851
24	V	K	0.7729
25	G	K	-0.0049
26	S	K	-0.9617
27	N	K	-1.3598
28	K	K	-1.2196
29	G	K	-0.5409
30	A	K	0.0000
31	I	K	0.5055
32	I	K	0.6700
33	G	K	0.5264
34	L	K	0.0000
35	M	K	0.0000
36	V	K	0.0000
37	G	K	0.0000
38	G	K	0.9355
39	V	K	2.2812
40	V	K	2.7073
9	G	L	-0.1689
10	Y	L	0.8176
11	E	L	-0.1840
12	V	L	0.8370
13	H	L	-0.9168
14	H	L	-1.7995
15	Q	L	-2.0409
16	K	L	-1.6883
17	L	L	1.2973
18	V	L	2.5925
19	F	L	3.7106
20	F	L	2.2189
21	A	L	0.1569
22	E	L	-1.6034
23	D	L	-2.4774
24	V	L	-1.9154
25	G	L	-1.3997
26	S	L	-0.7002
27	N	L	-0.9458
28	K	L	-1.3595
29	G	L	-0.0809
30	A	L	-0.2944
31	I	L	0.0994
32	I	L	0.4814
33	G	L	0.7023
34	L	L	0.6125
35	M	L	0.6795
36	V	L	0.7089
37	G	L	0.6787
38	G	L	1.3410
39	V	L	2.6068
40	V	L	2.2709