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
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R
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                                          (00:27:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:27:44)

• Minimal score value: -3.4726
• Maximal score value: 1.9942
• Average score: -0.6579
• Total score value: -462.4976

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	-1.6558
2	C	A	-0.9377
3	N	A	-1.6275
4	T	A	-1.0088
5	A	A	-0.5166
6	T	A	-1.0709
7	C	A	-1.2223
8	A	A	0.0000
9	T	A	-1.2132
10	Q	A	-1.6842
11	R	A	-1.8950
12	L	A	-1.1447
13	A	A	0.0000
14	N	A	-2.0112
15	F	A	-1.2762
16	L	A	0.0000
17	V	A	-0.8584
18	R	A	-2.1558
19	S	A	-1.1486
20	S	A	-0.8107
21	N	A	-1.8295
22	N	A	-1.5611
23	L	A	0.4502
24	G	A	-0.1822
25	P	A	0.0215
26	V	A	1.1213
27	L	A	0.0000
28	P	A	-0.2330
29	P	A	-0.9112
30	T	A	-1.0881
31	N	A	-1.5314
32	V	A	-1.1071
33	G	A	-1.2019
34	S	A	-1.1035
35	N	A	-1.3789
36	T	A	-0.6352
37	Y	A	0.7118
1	K	B	-1.9285
2	C	B	-0.9654
3	N	B	-1.1371
4	T	B	-0.6521
5	A	B	0.0000
6	T	B	0.0000
7	C	B	-0.4044
8	A	B	-0.0927
9	T	B	0.0000
10	Q	B	-0.1860
11	R	B	-0.4354
12	L	B	0.4439
13	A	B	0.0000
14	N	B	0.0000
15	F	B	0.1917
16	L	B	0.0000
17	V	B	0.0000
18	R	B	-0.1066
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	1.0041
26	V	B	1.9942
27	L	B	1.4533
28	P	B	0.8831
29	P	B	0.0000
30	T	B	-0.0957
31	N	B	0.0000
32	V	B	0.0000
33	G	B	-1.2059
34	S	B	-1.3212
35	N	B	-1.1749
36	T	B	-0.1474
37	Y	B	0.9170
1	K	C	-2.4063
2	C	C	-1.5885
3	N	C	-1.8257
4	T	C	-1.0170
5	A	C	-0.5354
6	T	C	-0.6692
7	C	C	-0.5404
8	A	C	0.0000
9	T	C	0.0000
10	Q	C	-0.2734
11	R	C	-0.6545
12	L	C	0.0000
13	A	C	0.0000
14	N	C	-1.0985
15	F	C	0.0000
16	L	C	0.0000
17	V	C	-1.8111
18	R	C	-2.6745
19	S	C	0.0000
20	S	C	0.0000
21	N	C	-2.9750
22	N	C	-2.6644
23	L	C	0.0000
24	G	C	-0.4651
25	P	C	0.0000
26	V	C	1.3222
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	-0.0497
33	G	C	-1.0016
34	S	C	-0.9835
35	N	C	-1.8451
36	T	C	-0.3495
37	Y	C	0.6668
1	K	D	-2.4233
2	C	D	-1.4009
3	N	D	-1.6465
4	T	D	-0.9968
5	A	D	-0.3313
6	T	D	0.0000
7	C	D	0.0000
8	A	D	0.0000
9	T	D	-0.0221
10	Q	D	0.0000
11	R	D	-0.1428
12	L	D	-0.3081
13	A	D	0.0000
14	N	D	0.0000
15	F	D	0.0000
16	L	D	0.0000
17	V	D	0.0000
18	R	D	-2.6283
19	S	D	0.0000
20	S	D	0.0000
21	N	D	-2.7250
22	N	D	-2.5710
23	L	D	0.0000
24	G	D	-0.9532
25	P	D	-0.2606
26	V	D	0.7866
27	L	D	0.0000
28	P	D	0.0000
29	P	D	0.0000
30	T	D	0.0000
31	N	D	0.0000
32	V	D	0.8001
33	G	D	-0.7168
34	S	D	-0.8214
35	N	D	-1.5238
36	T	D	-0.3061
37	Y	D	0.8802
1	K	E	-2.5528
2	C	E	-1.8838
3	N	E	-1.8647
4	T	E	-1.0631
5	A	E	-0.4014
6	T	E	0.0000
7	C	E	0.0000
8	A	E	0.0000
9	T	E	-0.1775
10	Q	E	0.0000
11	R	E	-0.6056
12	L	E	0.0000
13	A	E	0.0000
14	N	E	-1.0857
15	F	E	0.0000
16	L	E	0.0000
17	V	E	0.0000
18	R	E	-3.0132
19	S	E	0.0000
20	S	E	0.0000
21	N	E	-2.8794
22	N	E	-2.7275
23	L	E	0.0000
24	G	E	-0.5852
25	P	E	0.0000
26	V	E	0.7967
27	L	E	0.0000
28	P	E	0.0000
29	P	E	-0.2800
30	T	E	0.0000
31	N	E	0.0000
32	V	E	-0.3090
33	G	E	-1.1749
34	S	E	-1.5189
35	N	E	-2.0032
36	T	E	-0.3585
37	Y	E	0.6735
1	K	F	-3.0206
2	C	F	-1.9053
3	N	F	-1.9483
4	T	F	-1.1149
5	A	F	-0.4283
6	T	F	0.0000
7	C	F	-0.8770
8	A	F	0.0000
9	T	F	-0.4452
10	Q	F	-0.4573
11	R	F	-0.8609
12	L	F	0.0000
13	A	F	0.0000
14	N	F	-1.4221
15	F	F	0.0000
16	L	F	0.0000
17	V	F	0.0000
18	R	F	-3.2859
19	S	F	0.0000
20	S	F	0.0000
21	N	F	-3.0072
22	N	F	-2.9874
23	L	F	0.0000
24	G	F	-1.1490
25	P	F	0.0000
26	V	F	0.0000
27	L	F	0.0000
28	P	F	0.0000
29	P	F	-0.3986
30	T	F	0.0000
31	N	F	0.0000
32	V	F	-0.6059
33	G	F	-1.4656
34	S	F	-2.1658
35	N	F	-2.8280
36	T	F	-0.5970
37	Y	F	0.5594
1	K	G	-1.2811
2	C	G	-1.0793
3	N	G	-1.7556
4	T	G	-1.2356
5	A	G	-0.9125
6	T	G	0.0000
7	C	G	0.0000
8	A	G	-0.8513
9	T	G	0.0000
10	Q	G	-0.8754
11	R	G	-1.1337
12	L	G	0.0000
13	A	G	0.0000
14	N	G	-1.5879
15	F	G	0.0000
16	L	G	0.0000
17	V	G	0.0000
18	R	G	-3.2822
19	S	G	0.0000
20	S	G	0.0000
21	N	G	-3.1576
22	N	G	-3.1154
23	L	G	0.0000
24	G	G	0.0000
25	P	G	0.0000
26	V	G	0.0000
27	L	G	0.3032
28	P	G	-0.0379
29	P	G	-0.5919
30	T	G	0.0000
31	N	G	-1.1949
32	V	G	0.0000
33	G	G	0.0000
34	S	G	-1.4669
35	N	G	-1.6885
36	T	G	-0.5400
37	Y	G	0.7284
1	K	H	-2.4839
2	C	H	-1.6330
3	N	H	-2.0709
4	T	H	-1.1996
5	A	H	-0.7153
6	T	H	-0.8807
7	C	H	-0.5999
8	A	H	0.0000
9	T	H	0.0000
10	Q	H	-0.8429
11	R	H	-1.0782
12	L	H	0.0000
13	A	H	0.0000
14	N	H	-2.4323
15	F	H	0.0000
16	L	H	0.0000
17	V	H	0.0000
18	R	H	-3.4688
19	S	H	0.0000
20	S	H	0.0000
21	N	H	-3.2455
22	N	H	-3.0058
23	L	H	0.0000
24	G	H	-0.7800
25	P	H	0.3395
26	V	H	1.0830
27	L	H	0.0000
28	P	H	0.0000
29	P	H	-0.6835
30	T	H	0.0000
31	N	H	-0.7907
32	V	H	-0.8694
33	G	H	0.0000
34	S	H	-1.9742
35	N	H	-2.3675
36	T	H	-1.0235
37	Y	H	0.4914
1	K	I	-1.4279
2	C	I	-0.3928
3	N	I	-1.0928
4	T	I	-1.1516
5	A	I	0.0000
6	T	I	0.0000
7	C	I	-0.6108
8	A	I	0.0000
9	T	I	0.0000
10	Q	I	0.0000
11	R	I	-1.1282
12	L	I	0.0000
13	A	I	0.0000
14	N	I	-1.5066
15	F	I	0.0000
16	L	I	0.0000
17	V	I	0.0000
18	R	I	-2.7661
19	S	I	0.0000
20	S	I	0.0000
21	N	I	-3.1792
22	N	I	-2.5655
23	L	I	0.0000
24	G	I	0.0000
25	P	I	0.0000
26	V	I	1.0385
27	L	I	0.0000
28	P	I	0.0000
29	P	I	-0.6254
30	T	I	-1.0759
31	N	I	-1.6574
32	V	I	0.0000
33	G	I	-1.3229
34	S	I	-1.2719
35	N	I	-1.3569
36	T	I	-0.5025
37	Y	I	0.5962
1	K	J	-1.3866
2	C	J	-0.3958
3	N	J	-0.8166
4	T	J	-0.9687
5	A	J	0.0000
6	T	J	0.0000
7	C	J	-0.5162
8	A	J	0.0000
9	T	J	0.0000
10	Q	J	-0.9716
11	R	J	-1.5834
12	L	J	0.0000
13	A	J	0.0000
14	N	J	-1.7117
15	F	J	0.0000
16	L	J	0.0000
17	V	J	-2.3496
18	R	J	-2.9360
19	S	J	0.0000
20	S	J	0.0000
21	N	J	-3.0041
22	N	J	-2.5691
23	L	J	-1.0929
24	G	J	-0.3759
25	P	J	0.5715
26	V	J	0.9012
27	L	J	0.0000
28	P	J	0.0718
29	P	J	-0.6155
30	T	J	0.0000
31	N	J	-1.3278
32	V	J	0.0000
33	G	J	-1.0276
34	S	J	-1.1640
35	N	J	-1.2614
36	T	J	-0.4456
37	Y	J	0.6190
1	K	K	-2.4025
2	C	K	-1.6034
3	N	K	-1.7550
4	T	K	-1.0294
5	A	K	-0.5352
6	T	K	-0.8482
7	C	K	0.0000
8	A	K	-0.4293
9	T	K	-0.3667
10	Q	K	0.0000
11	R	K	-0.6405
12	L	K	0.0000
13	A	K	0.0000
14	N	K	-1.1870
15	F	K	0.0000
16	L	K	0.0000
17	V	K	0.0000
18	R	K	-3.4015
19	S	K	0.0000
20	S	K	0.0000
21	N	K	-3.2964
22	N	K	-3.1176
23	L	K	0.0000
24	G	K	0.0000
25	P	K	0.0000
26	V	K	0.0000
27	L	K	0.0000
28	P	K	0.0000
29	P	K	0.0000
30	T	K	0.0000
31	N	K	0.0000
32	V	K	0.0426
33	G	K	-1.0908
34	S	K	-1.0213
35	N	K	-1.5072
36	T	K	-0.1069
37	Y	K	0.8853
1	K	L	-1.8899
2	C	L	-1.4401
3	N	L	-1.8666
4	T	L	-1.2057
5	A	L	-0.7380
6	T	L	0.0000
7	C	L	0.0000
8	A	L	0.0000
9	T	L	0.0000
10	Q	L	-0.9685
11	R	L	-1.3664
12	L	L	0.0000
13	A	L	0.0000
14	N	L	-2.3632
15	F	L	0.0000
16	L	L	0.0000
17	V	L	0.0000
18	R	L	-3.4726
19	S	L	0.0000
20	S	L	0.0000
21	N	L	0.0000
22	N	L	-2.5691
23	L	L	0.0000
24	G	L	0.0000
25	P	L	0.0000
26	V	L	0.9718
27	L	L	0.0000
28	P	L	0.0000
29	P	L	-0.5744
30	T	L	0.0000
31	N	L	-0.9837
32	V	L	0.0000
33	G	L	0.0000
34	S	L	-1.5263
35	N	L	-2.0620
36	T	L	-0.8775
37	Y	L	0.5275
1	K	M	-1.5628
2	C	M	-0.9783
3	N	M	-1.3489
4	T	M	-1.2071
5	A	M	-1.4918
6	T	M	0.0000
7	C	M	-0.8799
8	A	M	0.0000
9	T	M	0.0000
10	Q	M	-1.2104
11	R	M	-1.5274
12	L	M	0.0000
13	A	M	0.0000
14	N	M	-1.7818
15	F	M	0.0000
16	L	M	0.0000
17	V	M	-2.2076
18	R	M	-2.8441
19	S	M	0.0000
20	S	M	0.0000
21	N	M	-2.8202
22	N	M	-2.9333
23	L	M	0.0000
24	G	M	0.0000
25	P	M	0.0000
26	V	M	0.8450
27	L	M	0.0000
28	P	M	0.0000
29	P	M	-0.7545
30	T	M	0.0000
31	N	M	-1.7120
32	V	M	0.0000
33	G	M	0.0000
34	S	M	-1.3625
35	N	M	-1.5423
36	T	M	-0.8258
37	Y	M	0.3323
1	K	N	-1.3236
2	C	N	-0.3855
3	N	N	-0.7664
4	T	N	-0.9879
5	A	N	0.0000
6	T	N	-1.0175
7	C	N	-0.7690
8	A	N	0.0000
9	T	N	0.0000
10	Q	N	-1.1810
11	R	N	-1.7068
12	L	N	0.0000
13	A	N	0.0000
14	N	N	-1.9948
15	F	N	0.0000
16	L	N	0.0000
17	V	N	0.0000
18	R	N	-3.1906
19	S	N	0.0000
20	S	N	0.0000
21	N	N	-3.2958
22	N	N	-3.2000
23	L	N	0.0000
24	G	N	-0.5384
25	P	N	0.0000
26	V	N	0.8065
27	L	N	0.0000
28	P	N	-0.0029
29	P	N	-0.7999
30	T	N	0.0000
31	N	N	-1.8737
32	V	N	0.0000
33	G	N	-1.2627
34	S	N	-1.2324
35	N	N	-1.2811
36	T	N	-0.4283
37	Y	N	0.5969
1	K	O	-1.4016
2	C	O	-0.5669
3	N	O	-1.1163
4	T	O	-1.1679
5	A	O	-1.4617
6	T	O	0.0000
7	C	O	-0.6287
8	A	O	0.0000
9	T	O	0.0000
10	Q	O	-0.8994
11	R	O	-1.0101
12	L	O	0.0000
13	A	O	0.0000
14	N	O	-1.4122
15	F	O	0.0000
16	L	O	0.0000
17	V	O	-1.9599
18	R	O	-2.9989
19	S	O	0.0000
20	S	O	0.0000
21	N	O	-3.4350
22	N	O	-3.2259
23	L	O	0.0000
24	G	O	0.0000
25	P	O	0.0000
26	V	O	0.7556
27	L	O	0.0000
28	P	O	0.0000
29	P	O	-0.8520
30	T	O	-1.1513
31	N	O	-1.7814
32	V	O	0.0000
33	G	O	-1.1472
34	S	O	-1.1906
35	N	O	-1.4363
36	T	O	-0.6724
37	Y	O	0.4020
1	K	P	-1.1333
2	C	P	-0.2483
3	N	P	-0.5563
4	T	P	-0.9881
5	A	P	0.0000
6	T	P	-0.5728
7	C	P	-0.4173
8	A	P	0.0000
9	T	P	0.0000
10	Q	P	-0.5802
11	R	P	-0.5414
12	L	P	0.0000
13	A	P	0.0000
14	N	P	-1.6663
15	F	P	0.0000
16	L	P	0.0000
17	V	P	-2.1126
18	R	P	-3.1924
19	S	P	0.0000
20	S	P	0.0000
21	N	P	-3.2930
22	N	P	-2.6951
23	L	P	0.0000
24	G	P	0.0000
25	P	P	0.0000
26	V	P	0.8112
27	L	P	0.0000
28	P	P	0.0667
29	P	P	-0.4180
30	T	P	-0.6242
31	N	P	-1.5976
32	V	P	0.0000
33	G	P	-1.2330
34	S	P	-1.0942
35	N	P	-1.1588
36	T	P	-0.3698
37	Y	P	0.6522
1	K	Q	-2.2615
2	C	Q	-1.2332
3	N	Q	-1.5769
4	T	Q	-0.9069
5	A	Q	-0.6516
6	T	Q	0.0000
7	C	Q	-0.5567
8	A	Q	-0.3746
9	T	Q	0.0000
10	Q	Q	0.0000
11	R	Q	-0.7726
12	L	Q	-0.1824
13	A	Q	0.0000
14	N	Q	-0.8026
15	F	Q	0.0000
16	L	Q	0.0000
17	V	Q	-1.8578
18	R	Q	-2.5234
19	S	Q	0.0000
20	S	Q	0.0000
21	N	Q	-3.1316
22	N	Q	-2.3715
23	L	Q	-1.4580
24	G	Q	-1.2507
25	P	Q	-0.6207
26	V	Q	0.7407
27	L	Q	0.0000
28	P	Q	0.0000
29	P	Q	0.0000
30	T	Q	-0.5825
31	N	Q	0.0000
32	V	Q	0.8776
33	G	Q	-0.2836
34	S	Q	-0.5350
35	N	Q	-1.2542
36	T	Q	-0.0446
37	Y	Q	0.9105
1	K	R	-1.7973
2	C	R	-1.0645
3	N	R	-1.5473
4	T	R	-0.8313
5	A	R	-0.5470
6	T	R	-0.9615
7	C	R	-1.1424
8	A	R	-0.8929
9	T	R	-0.9051
10	Q	R	-1.7860
11	R	R	-2.3108
12	L	R	-1.1462
13	A	R	-1.2380
14	N	R	-1.7330
15	F	R	-1.1721
16	L	R	-0.8494
17	V	R	0.0000
18	R	R	-2.5268
19	S	R	0.0000
20	S	R	-1.7685
21	N	R	-2.7676
22	N	R	-2.9946
23	L	R	0.0000
24	G	R	-1.8903
25	P	R	0.0000
26	V	R	0.0000
27	L	R	-0.1461
28	P	R	0.0000
29	P	R	0.0000
30	T	R	-1.4296
31	N	R	-1.5977
32	V	R	0.3669
33	G	R	-0.3900
34	S	R	-0.4908
35	N	R	-0.9213
36	T	R	-0.1237
37	Y	R	0.8006
1	K	S	-1.7346
2	C	S	-0.8371
3	N	S	-1.3723
4	T	S	-0.7204
5	A	S	0.0000
6	T	S	-0.8890
7	C	S	-0.7055
8	A	S	-0.6937
9	T	S	0.0000
10	Q	S	-1.2931
11	R	S	-2.0992
12	L	S	-0.9975
13	A	S	0.0000
14	N	S	-1.7581
15	F	S	-0.6894
16	L	S	0.0000
17	V	S	-1.4435
18	R	S	-2.2189
19	S	S	-0.9517
20	S	S	-1.0594
21	N	S	-2.1248
22	N	S	-1.6742
23	L	S	0.2410
24	G	S	-0.0025
25	P	S	0.6811
26	V	S	1.7599
27	L	S	1.1046
28	P	S	0.3841
29	P	S	0.0448
30	T	S	0.0000
31	N	S	-0.5254
32	V	S	-0.3650
33	G	S	-0.8272
34	S	S	-0.7595
35	N	S	-1.1561
36	T	S	-0.2239
37	Y	S	0.8833