Project name: Rat IAPP_20

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]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:17:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:31)

• Minimal score value: -3.5069
• Maximal score value: 2.1684
• Average score: -0.6423
• Total score value: -475.3031

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	-1.5963
2	C	A	-0.9906
3	N	A	-1.4897
4	T	A	-0.8230
5	A	A	-0.5958
6	T	A	-0.8782
7	C	A	-1.1324
8	A	A	0.0000
9	T	A	0.0000
10	Q	A	-1.6810
11	R	A	-2.2721
12	L	A	0.0000
13	A	A	0.0000
14	N	A	-2.1720
15	F	A	0.0000
16	L	A	0.0000
17	V	A	-0.8096
18	R	A	-2.2247
19	S	A	0.0000
20	S	A	-0.5530
21	N	A	-2.0884
22	N	A	-1.5751
23	L	A	0.3593
24	G	A	0.1925
25	P	A	0.3574
26	V	A	2.1684
27	L	A	0.0000
28	P	A	-0.0700
29	P	A	-0.9870
30	T	A	-0.9520
31	N	A	-1.3323
32	V	A	-0.6679
33	G	A	-1.0811
34	S	A	-0.8472
35	N	A	-1.1323
36	T	A	-0.5321
37	Y	A	0.7084
1	K	B	-1.6744
2	C	B	-0.8701
3	N	B	-1.3614
4	T	B	-0.7944
5	A	B	-0.4346
6	T	B	-0.6318
7	C	B	-0.7569
8	A	B	-0.4778
9	T	B	-0.5309
10	Q	B	-1.1471
11	R	B	-0.9640
12	L	B	0.3202
13	A	B	0.0484
14	N	B	-0.4364
15	F	B	0.0000
16	L	B	0.6288
17	V	B	0.3821
18	R	B	0.0000
19	S	B	0.0000
20	S	B	0.0000
21	N	B	0.0000
22	N	B	0.0000
23	L	B	0.0000
24	G	B	0.0000
25	P	B	0.9173
26	V	B	1.9210
27	L	B	2.0279
28	P	B	1.0390
29	P	B	0.3513
30	T	B	-0.3833
31	N	B	-0.6809
32	V	B	-0.3998
33	G	B	0.0000
34	S	B	-0.8074
35	N	B	-1.1012
36	T	B	-0.1072
37	Y	B	0.7037
1	K	C	-2.6007
2	C	C	-1.9098
3	N	C	-2.0136
4	T	C	-1.4021
5	A	C	-0.9156
6	T	C	-1.0326
7	C	C	0.0000
8	A	C	0.0000
9	T	C	0.0000
10	Q	C	-0.8170
11	R	C	-1.0562
12	L	C	0.0000
13	A	C	-0.8126
14	N	C	-1.4464
15	F	C	0.0000
16	L	C	0.0000
17	V	C	-1.6381
18	R	C	-2.8977
19	S	C	0.0000
20	S	C	0.0000
21	N	C	-2.7289
22	N	C	-2.9197
23	L	C	0.0000
24	G	C	-0.4926
25	P	C	0.3991
26	V	C	0.8610
27	L	C	0.0000
28	P	C	0.0000
29	P	C	0.0000
30	T	C	0.0000
31	N	C	0.0000
32	V	C	-0.9070
33	G	C	-1.4177
34	S	C	-1.5323
35	N	C	-2.1971
36	T	C	-0.4607
37	Y	C	0.5253
1	K	D	-1.1724
2	C	D	-0.3771
3	N	D	-0.7495
4	T	D	-0.5987
5	A	D	-0.8198
6	T	D	0.0000
7	C	D	-0.4299
8	A	D	0.0000
9	T	D	0.0000
10	Q	D	-0.6796
11	R	D	-1.1585
12	L	D	0.0000
13	A	D	0.0000
14	N	D	-1.1804
15	F	D	0.0000
16	L	D	0.0000
17	V	D	-1.8251
18	R	D	-2.6540
19	S	D	0.0000
20	S	D	0.0000
21	N	D	-3.1831
22	N	D	-2.7728
23	L	D	-1.5952
24	G	D	-0.8249
25	P	D	0.0000
26	V	D	0.0000
27	L	D	0.0000
28	P	D	0.0000
29	P	D	0.0000
30	T	D	0.0000
31	N	D	-1.0121
32	V	D	0.0000
33	G	D	-0.9096
34	S	D	-1.1418
35	N	D	-1.3137
36	T	D	-0.5875
37	Y	D	0.3056
1	K	E	-1.2946
2	C	E	-0.5145
3	N	E	-0.8119
4	T	E	-0.6964
5	A	E	0.0000
6	T	E	0.0000
7	C	E	-0.5997
8	A	E	0.0000
9	T	E	0.0000
10	Q	E	-0.7224
11	R	E	-1.1538
12	L	E	0.0000
13	A	E	0.0000
14	N	E	-1.1184
15	F	E	0.0000
16	L	E	0.0000
17	V	E	0.0000
18	R	E	-1.9803
19	S	E	0.0000
20	S	E	0.0000
21	N	E	-2.7307
22	N	E	-2.7140
23	L	E	0.0000
24	G	E	-0.4853
25	P	E	0.0000
26	V	E	0.9851
27	L	E	0.0000
28	P	E	0.0975
29	P	E	-0.5851
30	T	E	-0.9892
31	N	E	-1.6587
32	V	E	-1.0151
33	G	E	-1.1001
34	S	E	-1.1832
35	N	E	-1.3250
36	T	E	-0.5458
37	Y	E	0.3844
1	K	F	-1.2149
2	C	F	-0.4392
3	N	F	-0.6879
4	T	F	-0.7513
5	A	F	0.0000
6	T	F	0.0000
7	C	F	-0.5366
8	A	F	0.0000
9	T	F	0.0000
10	Q	F	-0.7935
11	R	F	-1.4783
12	L	F	0.0000
13	A	F	0.0000
14	N	F	-1.4462
15	F	F	0.0000
16	L	F	0.0000
17	V	F	-1.7493
18	R	F	-2.8548
19	S	F	0.0000
20	S	F	0.0000
21	N	F	-2.7405
22	N	F	-2.7076
23	L	F	0.0000
24	G	F	-0.7051
25	P	F	0.0000
26	V	F	0.0000
27	L	F	0.0000
28	P	F	-0.1109
29	P	F	-0.6938
30	T	F	-1.0104
31	N	F	-1.6982
32	V	F	-0.8651
33	G	F	-1.1475
34	S	F	-1.0340
35	N	F	-1.1460
36	T	F	-0.4759
37	Y	F	0.5512
1	K	G	-1.2339
2	C	G	-0.0960
3	N	G	-0.4481
4	T	G	-0.3574
5	A	G	0.0000
6	T	G	-0.4874
7	C	G	-0.3938
8	A	G	0.0000
9	T	G	0.0000
10	Q	G	-0.9142
11	R	G	-1.6108
12	L	G	0.0000
13	A	G	0.0000
14	N	G	-2.1087
15	F	G	0.0000
16	L	G	0.0000
17	V	G	0.0000
18	R	G	-3.3546
19	S	G	0.0000
20	S	G	0.0000
21	N	G	-2.6328
22	N	G	-2.0302
23	L	G	-0.8955
24	G	G	-0.7289
25	P	G	0.0000
26	V	G	0.7502
27	L	G	0.0000
28	P	G	-0.0597
29	P	G	-0.5963
30	T	G	-1.0231
31	N	G	-1.7362
32	V	G	-0.8975
33	G	G	-1.2547
34	S	G	-1.1530
35	N	G	-1.1983
36	T	G	-0.3507
37	Y	G	0.6816
1	K	H	-1.5192
2	C	H	-0.4790
3	N	H	-0.7469
4	T	H	-0.3612
5	A	H	0.0000
6	T	H	0.0000
7	C	H	-0.4181
8	A	H	0.0000
9	T	H	0.0000
10	Q	H	-0.9305
11	R	H	-1.6137
12	L	H	0.0000
13	A	H	0.0000
14	N	H	-2.2152
15	F	H	0.0000
16	L	H	0.0000
17	V	H	-2.3715
18	R	H	-3.0521
19	S	H	0.0000
20	S	H	0.0000
21	N	H	-2.4567
22	N	H	-1.9386
23	L	H	0.0000
24	G	H	0.0000
25	P	H	0.0000
26	V	H	0.7994
27	L	H	0.0000
28	P	H	0.1867
29	P	H	-0.5329
30	T	H	-0.9066
31	N	H	-1.5600
32	V	H	-0.8227
33	G	H	-1.3663
34	S	H	-1.1486
35	N	H	-1.2124
36	T	H	-0.1011
37	Y	H	0.8095
1	K	I	-1.8393
2	C	I	-1.0559
3	N	I	-1.4354
4	T	I	-0.5505
5	A	I	-0.1909
6	T	I	0.0000
7	C	I	-0.7668
8	A	I	-0.5146
9	T	I	-0.5393
10	Q	I	-0.8662
11	R	I	-1.3976
12	L	I	0.0000
13	A	I	0.0000
14	N	I	-1.7171
15	F	I	0.0000
16	L	I	0.0000
17	V	I	0.0000
18	R	I	-2.8773
19	S	I	0.0000
20	S	I	0.0000
21	N	I	-2.1528
22	N	I	-1.9289
23	L	I	0.0000
24	G	I	0.0000
25	P	I	0.0000
26	V	I	0.7499
27	L	I	0.0000
28	P	I	0.0000
29	P	I	-0.6045
30	T	I	-0.8213
31	N	I	-1.1910
32	V	I	-0.1771
33	G	I	-0.9359
34	S	I	-0.8861
35	N	I	-1.0521
36	T	I	-0.1642
37	Y	I	0.8677
1	K	J	-1.8879
2	C	J	-1.1705
3	N	J	-1.6347
4	T	J	-0.7387
5	A	J	-0.0870
6	T	J	-0.7067
7	C	J	-0.8420
8	A	J	0.0000
9	T	J	-0.7406
10	Q	J	-1.1843
11	R	J	-1.9717
12	L	J	0.0000
13	A	J	0.0000
14	N	J	-2.5216
15	F	J	0.0000
16	L	J	0.0000
17	V	J	-2.6021
18	R	J	-3.4624
19	S	J	0.0000
20	S	J	0.0000
21	N	J	-2.7547
22	N	J	-2.4091
23	L	J	0.0000
24	G	J	0.0000
25	P	J	0.0000
26	V	J	0.6876
27	L	J	0.0000
28	P	J	0.0000
29	P	J	-0.6216
30	T	J	-0.8575
31	N	J	-0.6987
32	V	J	0.7611
33	G	J	-0.3531
34	S	J	-0.6480
35	N	J	-0.9868
36	T	J	-0.1295
37	Y	J	0.8677
1	K	K	-1.6770
2	C	K	-0.8556
3	N	K	-1.5110
4	T	K	-0.4414
5	A	K	0.0899
6	T	K	0.0000
7	C	K	-0.7738
8	A	K	-0.7181
9	T	K	-0.6902
10	Q	K	-1.1328
11	R	K	-1.7395
12	L	K	0.0000
13	A	K	0.0000
14	N	K	-2.1095
15	F	K	0.0000
16	L	K	0.0000
17	V	K	0.0000
18	R	K	-3.5069
19	S	K	0.0000
20	S	K	0.0000
21	N	K	-2.8651
22	N	K	-2.4486
23	L	K	0.0000
24	G	K	0.0000
25	P	K	0.0000
26	V	K	0.6334
27	L	K	0.0000
28	P	K	-0.1656
29	P	K	-0.6686
30	T	K	-0.7673
31	N	K	-0.6506
32	V	K	0.8138
33	G	K	-0.2687
34	S	K	-0.6495
35	N	K	-0.9916
36	T	K	-0.0123
37	Y	K	0.8710
1	K	L	-1.8715
2	C	L	-1.1625
3	N	L	-1.5682
4	T	L	-0.4418
5	A	L	-0.1771
6	T	L	0.0000
7	C	L	-0.8556
8	A	L	0.0000
9	T	L	-0.6921
10	Q	L	-1.0882
11	R	L	-1.6226
12	L	L	0.0000
13	A	L	0.0000
14	N	L	-2.0986
15	F	L	0.0000
16	L	L	0.0000
17	V	L	-2.6010
18	R	L	-3.2667
19	S	L	0.0000
20	S	L	0.0000
21	N	L	-2.5203
22	N	L	-2.3520
23	L	L	0.0000
24	G	L	-0.4911
25	P	L	0.0000
26	V	L	0.6186
27	L	L	0.0000
28	P	L	-0.0686
29	P	L	-0.5121
30	T	L	-0.8270
31	N	L	-0.7453
32	V	L	0.6717
33	G	L	-0.3658
34	S	L	-0.6042
35	N	L	-0.9751
36	T	L	-0.0343
37	Y	L	0.8665
1	K	M	-1.5226
2	C	M	-0.4731
3	N	M	-0.6065
4	T	M	-0.1143
5	A	M	-0.0948
6	T	M	0.0000
7	C	M	-0.3788
8	A	M	0.0000
9	T	M	-0.4336
10	Q	M	-0.8797
11	R	M	-1.5834
12	L	M	0.0000
13	A	M	0.0000
14	N	M	-1.7062
15	F	M	0.0000
16	L	M	0.0000
17	V	M	-2.1888
18	R	M	-3.1034
19	S	M	0.0000
20	S	M	0.0000
21	N	M	-2.7310
22	N	M	-2.5004
23	L	M	0.0000
24	G	M	0.0000
25	P	M	0.0000
26	V	M	0.5848
27	L	M	0.0000
28	P	M	0.0787
29	P	M	-0.4817
30	T	M	-0.9151
31	N	M	-1.0415
32	V	M	-0.0287
33	G	M	-0.6882
34	S	M	-0.7947
35	N	M	-1.0270
36	T	M	-0.3015
37	Y	M	0.7547
1	K	N	-1.4471
2	C	N	-0.3488
3	N	N	-0.5051
4	T	N	-0.1615
5	A	N	-0.3035
6	T	N	0.0000
7	C	N	-0.2813
8	A	N	0.0000
9	T	N	0.0000
10	Q	N	-0.7745
11	R	N	-1.5638
12	L	N	0.0000
13	A	N	0.0000
14	N	N	-1.5088
15	F	N	0.0000
16	L	N	0.0000
17	V	N	-1.9239
18	R	N	-2.5736
19	S	N	0.0000
20	S	N	0.0000
21	N	N	-2.7583
22	N	N	-2.3658
23	L	N	0.0000
24	G	N	-0.6291
25	P	N	0.0000
26	V	N	0.5772
27	L	N	0.0000
28	P	N	0.0304
29	P	N	-0.5492
30	T	N	-1.0124
31	N	N	-1.5448
32	V	N	-0.6176
33	G	N	-1.1263
34	S	N	-0.9991
35	N	N	-1.1580
36	T	N	-0.2491
37	Y	N	0.7989
1	K	O	-1.2287
2	C	O	-0.1292
3	N	O	-0.3550
4	T	O	-0.6802
5	A	O	0.0000
6	T	O	0.0000
7	C	O	-0.3449
8	A	O	0.0000
9	T	O	0.0000
10	Q	O	-0.8723
11	R	O	-1.5816
12	L	O	0.0000
13	A	O	0.0000
14	N	O	-1.9043
15	F	O	0.0000
16	L	O	0.0000
17	V	O	-1.8063
18	R	O	-3.0720
19	S	O	0.0000
20	S	O	0.0000
21	N	O	-2.7419
22	N	O	-2.9307
23	L	O	0.0000
24	G	O	0.0000
25	P	O	0.0000
26	V	O	0.6435
27	L	O	0.0000
28	P	O	0.0851
29	P	O	-0.5286
30	T	O	-0.6947
31	N	O	-1.4014
32	V	O	-0.6320
33	G	O	-1.2323
34	S	O	-1.0752
35	N	O	-1.1614
36	T	O	-0.1564
37	Y	O	0.6993
1	K	P	-1.4812
2	C	P	-0.5670
3	N	P	-0.6900
4	T	P	-0.7139
5	A	P	-0.5074
6	T	P	-0.5792
7	C	P	-0.5759
8	A	P	-0.5102
9	T	P	-0.5140
10	Q	P	-0.9957
11	R	P	-1.5502
12	L	P	-0.8993
13	A	P	0.0000
14	N	P	-1.8491
15	F	P	0.0000
16	L	P	0.0000
17	V	P	0.0000
18	R	P	-3.3142
19	S	P	0.0000
20	S	P	0.0000
21	N	P	-2.8835
22	N	P	-2.6209
23	L	P	0.0000
24	G	P	-0.6111
25	P	P	0.0000
26	V	P	0.6921
27	L	P	0.0000
28	P	P	-0.0276
29	P	P	-0.3853
30	T	P	-0.9323
31	N	P	-1.5440
32	V	P	-0.7940
33	G	P	-1.1536
34	S	P	-0.9466
35	N	P	-1.1747
36	T	P	-0.2356
37	Y	P	0.6523
1	K	Q	-1.1723
2	C	Q	-0.0574
3	N	Q	-0.3843
4	T	Q	-0.5801
5	A	Q	0.0000
6	T	Q	-0.5012
7	C	Q	-0.3725
8	A	Q	0.0000
9	T	Q	-0.6681
10	Q	Q	-0.8947
11	R	Q	-1.6753
12	L	Q	0.0000
13	A	Q	0.0000
14	N	Q	-1.7547
15	F	Q	0.0000
16	L	Q	0.0000
17	V	Q	-2.0634
18	R	Q	-2.8341
19	S	Q	0.0000
20	S	Q	0.0000
21	N	Q	-3.1488
22	N	Q	-2.9396
23	L	Q	-1.6125
24	G	Q	-0.9139
25	P	Q	0.0000
26	V	Q	0.5805
27	L	Q	0.0000
28	P	Q	0.0182
29	P	Q	-0.4819
30	T	Q	-0.8399
31	N	Q	-1.6828
32	V	Q	-0.8758
33	G	Q	-1.2607
34	S	Q	-0.8647
35	N	Q	-1.2009
36	T	Q	-0.3820
37	Y	Q	0.6582
1	K	R	-1.3094
2	C	R	-0.3050
3	N	R	-0.5324
4	T	R	-0.9436
5	A	R	0.0000
6	T	R	-0.4551
7	C	R	-0.8206
8	A	R	0.0000
9	T	R	-0.7074
10	Q	R	-1.3471
11	R	R	-2.0858
12	L	R	0.0000
13	A	R	0.0000
14	N	R	-2.1476
15	F	R	0.0000
16	L	R	0.0000
17	V	R	-2.1440
18	R	R	-2.9201
19	S	R	0.0000
20	S	R	0.0000
21	N	R	-2.9834
22	N	R	-2.7761
23	L	R	0.0000
24	G	R	0.0000
25	P	R	0.0000
26	V	R	0.0000
27	L	R	0.0000
28	P	R	0.0597
29	P	R	0.0000
30	T	R	-0.4324
31	N	R	-1.0699
32	V	R	-0.6574
33	G	R	-1.1818
34	S	R	-1.0968
35	N	R	-1.1909
36	T	R	-0.3658
37	Y	R	0.6458
1	K	S	-1.5292
2	C	S	-0.6384
3	N	S	-0.9285
4	T	S	-0.4143
5	A	S	-0.4830
6	T	S	-0.7717
7	C	S	-0.7098
8	A	S	-0.5574
9	T	S	0.0000
10	Q	S	-0.9535
11	R	S	-1.7095
12	L	S	-0.3855
13	A	S	0.0000
14	N	S	-1.3348
15	F	S	-0.3527
16	L	S	0.0000
17	V	S	0.0000
18	R	S	-2.4217
19	S	S	-1.3347
20	S	S	0.0000
21	N	S	-2.4730
22	N	S	-2.6300
23	L	S	0.0000
24	G	S	0.0000
25	P	S	0.0000
26	V	S	0.2587
27	L	S	0.2683
28	P	S	-0.1870
29	P	S	0.0000
30	T	S	-0.7852
31	N	S	-1.5877
32	V	S	-0.8138
33	G	S	-1.2242
34	S	S	-1.0399
35	N	S	-1.2005
36	T	S	-0.4267
37	Y	S	0.6287
1	K	T	-1.4722
2	C	T	-0.7331
3	N	T	-1.0782
4	T	T	-0.6593
5	A	T	-0.4447
6	T	T	-0.7996
7	C	T	-0.9986
8	A	T	-0.6342
9	T	T	-0.6374
10	Q	T	-1.2892
11	R	T	-1.8243
12	L	T	-0.2362
13	A	T	0.0000
14	N	T	-1.5819
15	F	T	0.0501
16	L	T	0.2484
17	V	T	-0.9034
18	R	T	-2.0129
19	S	T	-0.8568
20	S	T	-0.8856
21	N	T	-2.0107
22	N	T	-2.3865
23	L	T	-0.8724
24	G	T	-0.7493
25	P	T	-0.4132
26	V	T	1.3747
27	L	T	0.0000
28	P	T	-0.7072
29	P	T	0.0000
30	T	T	-0.8085
31	N	T	-0.6918
32	V	T	0.5841
33	G	T	-0.4673
34	S	T	-0.4554
35	N	T	-0.8740
36	T	T	-0.1643
37	Y	T	0.8338