Project name: d2aa7a1bf4d0766

Chain sequence(s)	A: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; C: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; B: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; E: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; D: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; G: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; F: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; I: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; H: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; K: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; J: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; M: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; L: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; O: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; N: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; Q: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; P: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; S: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; R: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; T: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:03)

• Minimal score value: -3.732
• Maximal score value: 2.1798
• Average score: -0.092
• Total score value: -68.0563

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	K	A	-2.7932
2	C	A	-1.6525
3	N	A	-2.1423
4	T	A	-0.8326
5	A	A	-0.1720
6	T	A	0.4769
7	C	A	0.8921
8	A	A	0.3846
9	T	A	-0.6515
10	Q	A	-1.4756
11	R	A	-2.3665
12	L	A	-0.8296
13	A	A	-0.4315
14	N	A	-0.1879
15	F	A	0.7667
16	L	A	0.3638
17	V	A	0.4197
18	R	A	-0.7229
19	S	A	0.0000
20	S	A	-1.3868
21	N	A	-1.7015
22	N	A	-0.9245
23	L	A	0.9440
24	G	A	0.4023
25	P	A	0.4541
26	V	A	0.6162
27	L	A	1.2698
28	P	A	0.6751
29	P	A	-0.2034
30	T	A	-0.6143
31	N	A	-1.4969
32	V	A	0.0000
33	G	A	-0.5207
34	S	A	0.0000
35	N	A	-0.1788
36	T	A	0.0000
37	Y	A	1.6198
1	K	B	-3.5701
2	C	B	0.0000
3	N	B	-2.4943
4	T	B	0.0000
5	A	B	-0.1838
6	T	B	0.0000
7	C	B	1.0351
8	A	B	0.5561
9	T	B	-0.7647
10	Q	B	0.0000
11	R	B	-3.0285
12	L	B	0.0000
13	A	B	-0.7784
14	N	B	0.0000
15	F	B	0.0000
16	L	B	0.0000
17	V	B	0.0000
18	R	B	0.0000
19	S	B	0.0000
20	S	B	0.0000
21	N	B	-1.4162
22	N	B	0.0000
23	L	B	1.3765
24	G	B	0.8322
25	P	B	0.7756
26	V	B	0.0000
27	L	B	0.8518
28	P	B	0.5573
29	P	B	-0.0621
30	T	B	0.0000
31	N	B	-0.7851
32	V	B	0.0000
33	G	B	0.0000
34	S	B	0.0000
35	N	B	0.0000
36	T	B	0.0000
37	Y	B	1.5566
1	K	C	-3.7320
2	C	C	0.0000
3	N	C	-2.4811
4	T	C	0.0000
5	A	C	-0.0685
6	T	C	0.0000
7	C	C	1.0401
8	A	C	0.6785
9	T	C	-0.4702
10	Q	C	0.0000
11	R	C	-2.4833
12	L	C	0.0000
13	A	C	-0.6395
14	N	C	0.0000
15	F	C	0.1921
16	L	C	0.0000
17	V	C	0.0000
18	R	C	0.0000
19	S	C	0.0000
20	S	C	0.0000
21	N	C	-0.8961
22	N	C	0.0000
23	L	C	1.4943
24	G	C	0.9738
25	P	C	0.7078
26	V	C	0.0000
27	L	C	0.6237
28	P	C	0.3060
29	P	C	0.0446
30	T	C	0.0000
31	N	C	-0.2878
32	V	C	0.0000
33	G	C	0.0000
34	S	C	0.0000
35	N	C	0.0000
36	T	C	0.0000
37	Y	C	2.0627
1	K	D	-3.7054
2	C	D	0.0000
3	N	D	-2.4042
4	T	D	0.0000
5	A	D	-0.0509
6	T	D	0.0000
7	C	D	1.0289
8	A	D	0.6807
9	T	D	-0.3325
10	Q	D	0.0000
11	R	D	-1.6025
12	L	D	0.0000
13	A	D	-0.5829
14	N	D	0.0000
15	F	D	0.0000
16	L	D	0.0000
17	V	D	0.0000
18	R	D	0.0000
19	S	D	0.0000
20	S	D	0.0000
21	N	D	-0.7042
22	N	D	0.0000
23	L	D	1.8988
24	G	D	1.1888
25	P	D	0.7802
26	V	D	0.0000
27	L	D	0.6140
28	P	D	0.3003
29	P	D	0.0417
30	T	D	0.0000
31	N	D	-0.2813
32	V	D	0.0000
33	G	D	0.0000
34	S	D	0.0000
35	N	D	0.0000
36	T	D	0.0000
37	Y	D	1.8375
1	K	E	-3.7017
2	C	E	0.0000
3	N	E	-2.3880
4	T	E	0.0000
5	A	E	-0.0288
6	T	E	0.0000
7	C	E	1.1584
8	A	E	0.7317
9	T	E	-0.2522
10	Q	E	0.0000
11	R	E	-2.1206
12	L	E	0.0000
13	A	E	-0.5364
14	N	E	0.0000
15	F	E	0.0000
16	L	E	0.0000
17	V	E	0.0000
18	R	E	0.0000
19	S	E	0.0000
20	S	E	0.0000
21	N	E	-0.9519
22	N	E	0.0000
23	L	E	2.0936
24	G	E	1.2692
25	P	E	0.8225
26	V	E	0.0000
27	L	E	0.5658
28	P	E	0.2771
29	P	E	0.0297
30	T	E	0.0000
31	N	E	-0.3020
32	V	E	0.0000
33	G	E	0.0000
34	S	E	0.0000
35	N	E	0.0000
36	T	E	0.0000
37	Y	E	2.1798
1	K	F	-3.7081
2	C	F	-2.4292
3	N	F	-2.4039
4	T	F	0.0000
5	A	F	-0.0176
6	T	F	0.0000
7	C	F	1.1671
8	A	F	0.7542
9	T	F	-0.3462
10	Q	F	0.0000
11	R	F	-1.7292
12	L	F	0.0000
13	A	F	-0.6550
14	N	F	-0.3029
15	F	F	0.1477
16	L	F	0.0000
17	V	F	0.0000
18	R	F	0.0000
19	S	F	0.0000
20	S	F	0.0000
21	N	F	-0.5765
22	N	F	0.0000
23	L	F	2.0746
24	G	F	1.3122
25	P	F	0.8027
26	V	F	0.0000
27	L	F	0.5186
28	P	F	0.0000
29	P	F	0.0249
30	T	F	0.0000
31	N	F	-0.2981
32	V	F	0.0000
33	G	F	0.0000
34	S	F	0.0000
35	N	F	0.0000
36	T	F	0.0000
37	Y	F	1.9655
1	K	G	-3.7094
2	C	G	0.0000
3	N	G	-2.3728
4	T	G	0.0000
5	A	G	-0.0438
6	T	G	0.0000
7	C	G	1.1619
8	A	G	0.7605
9	T	G	-0.3809
10	Q	G	0.0000
11	R	G	-2.4555
12	L	G	0.0000
13	A	G	-0.7165
14	N	G	0.0000
15	F	G	0.0000
16	L	G	0.0000
17	V	G	0.0000
18	R	G	0.0000
19	S	G	0.0000
20	S	G	0.0000
21	N	G	-0.7448
22	N	G	0.0000
23	L	G	1.8934
24	G	G	1.2128
25	P	G	0.7441
26	V	G	0.0000
27	L	G	0.5659
28	P	G	0.0000
29	P	G	0.0176
30	T	G	0.0000
31	N	G	-0.3491
32	V	G	0.0000
33	G	G	0.0000
34	S	G	0.0000
35	N	G	0.0000
36	T	G	0.0000
37	Y	G	2.1010
1	K	H	-3.5460
2	C	H	0.0000
3	N	H	-2.5052
4	T	H	0.0000
5	A	H	-0.1381
6	T	H	0.0000
7	C	H	1.1092
8	A	H	0.7004
9	T	H	-0.6199
10	Q	H	0.0000
11	R	H	-2.6194
12	L	H	0.0000
13	A	H	-0.6484
14	N	H	0.0000
15	F	H	0.0000
16	L	H	0.0000
17	V	H	0.0000
18	R	H	0.0000
19	S	H	0.0000
20	S	H	0.0000
21	N	H	-1.3868
22	N	H	0.0000
23	L	H	1.5621
24	G	H	1.0929
25	P	H	1.0031
26	V	H	0.0000
27	L	H	1.0207
28	P	H	0.5948
29	P	H	0.0490
30	T	H	0.0000
31	N	H	-0.0413
32	V	H	0.0000
33	G	H	0.0000
34	S	H	0.0000
35	N	H	0.0000
36	T	H	0.0000
37	Y	H	1.5297
1	K	I	-2.7688
2	C	I	-1.9739
3	N	I	-2.1139
4	T	I	-0.8938
5	A	I	-0.1970
6	T	I	0.4754
7	C	I	0.8920
8	A	I	0.5618
9	T	I	-0.5671
10	Q	I	-1.1578
11	R	I	-2.1192
12	L	I	-0.6363
13	A	I	-0.4086
14	N	I	-0.1383
15	F	I	1.1963
16	L	I	0.4652
17	V	I	0.7597
18	R	I	-0.3562
19	S	I	-0.6180
20	S	I	-1.1347
21	N	I	-1.4135
22	N	I	-0.0831
23	L	I	1.3533
24	G	I	0.8966
25	P	I	0.8716
26	V	I	1.4291
27	L	I	1.6696
28	P	I	0.8797
29	P	I	0.0651
30	T	I	0.1049
31	N	I	0.1992
32	V	I	1.1454
33	G	I	0.5446
34	S	I	0.0244
35	N	I	0.1375
36	T	I	0.3522
37	Y	I	1.5506
1	K	J	-2.5959
2	C	J	-1.8389
3	N	J	-2.0987
4	T	J	-0.8864
5	A	J	-0.1846
6	T	J	0.4963
7	C	J	0.9365
8	A	J	0.5623
9	T	J	-0.6939
10	Q	J	-1.4536
11	R	J	-2.3506
12	L	J	-0.7650
13	A	J	-0.3554
14	N	J	0.1191
15	F	J	0.9798
16	L	J	0.1885
17	V	J	0.0207
18	R	J	-1.5733
19	S	J	-1.2394
20	S	J	-1.4264
21	N	J	-1.4493
22	N	J	-0.2403
23	L	J	1.4144
24	G	J	1.0284
25	P	J	1.0113
26	V	J	1.5101
27	L	J	1.9529
28	P	J	1.0032
29	P	J	0.2609
30	T	J	0.2195
31	N	J	0.0914
32	V	J	0.7628
33	G	J	0.3035
34	S	J	-0.1987
35	N	J	0.1451
36	T	J	0.5562
37	Y	J	1.7546
1	K	K	-3.3220
2	C	K	0.0000
3	N	K	-2.3925
4	T	K	0.0000
5	A	K	-0.0997
6	T	K	0.0000
7	C	K	1.1919
8	A	K	0.7151
9	T	K	-0.6424
10	Q	K	0.0000
11	R	K	-2.8848
12	L	K	0.0000
13	A	K	-0.6917
14	N	K	0.0511
15	F	K	0.5650
16	L	K	0.0000
17	V	K	0.0000
18	R	K	0.0000
19	S	K	0.0000
20	S	K	0.0000
21	N	K	-1.3715
22	N	K	0.0000
23	L	K	1.8053
24	G	K	1.2210
25	P	K	1.0909
26	V	K	0.0000
27	L	K	1.0101
28	P	K	0.5923
29	P	K	0.1079
30	T	K	0.0000
31	N	K	-0.0848
32	V	K	0.0000
33	G	K	0.0000
34	S	K	0.0000
35	N	K	0.0000
36	T	K	0.0000
37	Y	K	2.1274
1	K	L	-3.3208
2	C	L	0.0000
3	N	L	-2.3155
4	T	L	0.0000
5	A	L	-0.0526
6	T	L	0.0000
7	C	L	1.1323
8	A	L	0.7509
9	T	L	-0.3406
10	Q	L	0.0000
11	R	L	-2.0189
12	L	L	0.0000
13	A	L	-0.6350
14	N	L	0.0000
15	F	L	0.3012
16	L	L	0.0000
17	V	L	0.0000
18	R	L	0.0000
19	S	L	0.0000
20	S	L	0.0000
21	N	L	-0.8404
22	N	L	0.0000
23	L	L	1.9230
24	G	L	1.2428
25	P	L	0.7146
26	V	L	0.0000
27	L	L	0.4007
28	P	L	0.2202
29	P	L	0.0074
30	T	L	0.0000
31	N	L	-0.2135
32	V	L	0.0000
33	G	L	0.0000
34	S	L	0.0000
35	N	L	0.0000
36	T	L	0.0000
37	Y	L	1.7304
1	K	M	-3.3395
2	C	M	0.0000
3	N	M	-2.3378
4	T	M	0.0000
5	A	M	-0.0482
6	T	M	0.0000
7	C	M	1.1926
8	A	M	0.7526
9	T	M	-0.3547
10	Q	M	0.0000
11	R	M	-1.9338
12	L	M	0.0000
13	A	M	0.0000
14	N	M	0.0000
15	F	M	0.0000
16	L	M	0.0000
17	V	M	0.0000
18	R	M	0.0000
19	S	M	0.0000
20	S	M	0.0000
21	N	M	-1.1944
22	N	M	0.0000
23	L	M	1.9031
24	G	M	1.1968
25	P	M	0.7540
26	V	M	0.0000
27	L	M	0.5127
28	P	M	0.2601
29	P	M	0.0540
30	T	M	0.0000
31	N	M	0.0000
32	V	M	0.0000
33	G	M	0.0000
34	S	M	0.0000
35	N	M	0.0000
36	T	M	0.0000
37	Y	M	1.5330
1	K	N	-3.3523
2	C	N	0.0000
3	N	N	-2.2956
4	T	N	0.0000
5	A	N	-0.0711
6	T	N	0.0000
7	C	N	1.1156
8	A	N	0.7153
9	T	N	-0.3727
10	Q	N	0.0000
11	R	N	-2.4093
12	L	N	0.0000
13	A	N	-0.6733
14	N	N	0.0000
15	F	N	0.0000
16	L	N	0.0000
17	V	N	0.0000
18	R	N	0.0000
19	S	N	0.0000
20	S	N	0.0000
21	N	N	-1.0654
22	N	N	0.0000
23	L	N	1.9840
24	G	N	1.2356
25	P	N	0.7840
26	V	N	0.0000
27	L	N	0.5461
28	P	N	0.0000
29	P	N	0.0799
30	T	N	0.0000
31	N	N	-0.1808
32	V	N	0.0000
33	G	N	0.0000
34	S	N	0.0000
35	N	N	0.0000
36	T	N	0.0000
37	Y	N	1.8573
1	K	O	-3.5157
2	C	O	0.0000
3	N	O	-2.2912
4	T	O	0.0000
5	A	O	-0.0811
6	T	O	0.0000
7	C	O	1.0018
8	A	O	0.6791
9	T	O	-0.2806
10	Q	O	0.0000
11	R	O	-1.6339
12	L	O	0.0000
13	A	O	-0.5932
14	N	O	0.0000
15	F	O	0.0000
16	L	O	0.0000
17	V	O	0.0000
18	R	O	0.0000
19	S	O	0.0000
20	S	O	0.0000
21	N	O	-0.6201
22	N	O	0.0000
23	L	O	1.9870
24	G	O	1.2727
25	P	O	0.7428
26	V	O	0.0000
27	L	O	0.4198
28	P	O	0.2152
29	P	O	0.0499
30	T	O	0.0000
31	N	O	0.0000
32	V	O	0.0000
33	G	O	0.0000
34	S	O	0.0000
35	N	O	0.0000
36	T	O	0.0000
37	Y	O	1.8568
1	K	P	-3.5186
2	C	P	0.0000
3	N	P	-2.2723
4	T	P	0.0000
5	A	P	-0.0686
6	T	P	0.0000
7	C	P	1.0843
8	A	P	0.7125
9	T	P	-0.3160
10	Q	P	0.0000
11	R	P	-1.7526
12	L	P	0.0000
13	A	P	0.0000
14	N	P	0.0000
15	F	P	0.0000
16	L	P	0.0000
17	V	P	0.0000
18	R	P	0.0000
19	S	P	0.0000
20	S	P	0.0000
21	N	P	-0.9039
22	N	P	0.0000
23	L	P	1.9505
24	G	P	1.1435
25	P	P	0.7018
26	V	P	0.0000
27	L	P	0.4180
28	P	P	0.2021
29	P	P	0.0465
30	T	P	0.0000
31	N	P	-0.1596
32	V	P	0.0000
33	G	P	0.0000
34	S	P	0.0000
35	N	P	0.0000
36	T	P	0.0000
37	Y	P	1.9424
1	K	Q	-3.5238
2	C	Q	0.0000
3	N	Q	-2.2980
4	T	Q	0.0000
5	A	Q	-0.0463
6	T	Q	0.0000
7	C	Q	1.1153
8	A	Q	0.7370
9	T	Q	-0.3764
10	Q	Q	0.0000
11	R	Q	-2.4341
12	L	Q	0.0000
13	A	Q	-0.7176
14	N	Q	-0.3524
15	F	Q	0.0000
16	L	Q	0.0000
17	V	Q	0.0000
18	R	Q	0.0000
19	S	Q	0.0000
20	S	Q	0.0000
21	N	Q	-0.6517
22	N	Q	0.0000
23	L	Q	1.8578
24	G	Q	1.1587
25	P	Q	0.6790
26	V	Q	0.0000
27	L	Q	0.4421
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