Project name: Rat IAPP_8

Chain sequence(s)	A: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; C: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; B: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; E: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; D: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; G: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; F: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; H: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY
Selected Chain(s)	A,C,B,E,D,G,F,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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:17)

• Minimal score value: -2.5775
• Maximal score value: 1.7188
• Average score: -0.5308
• Total score value: -157.1044

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	-2.0794
2	C	A	-1.4028
3	N	A	-1.8084
4	T	A	-0.7721
5	A	A	0.0000
6	T	A	-0.1814
7	C	A	-0.5302
8	A	A	0.0000
9	T	A	0.0000
10	Q	A	0.0000
11	R	A	-0.4710
12	L	A	0.0000
13	A	A	0.0000
14	N	A	-0.3452
15	F	A	-0.4514
16	L	A	0.0000
17	V	A	-1.0112
18	R	A	-1.7468
19	S	A	0.0000
20	S	A	-1.5780
21	N	A	-2.4729
22	N	A	-2.4138
23	L	A	0.0000
24	G	A	-1.4967
25	P	A	-0.8594
26	V	A	-0.4099
27	L	A	1.0407
28	P	A	0.0427
29	P	A	-0.1824
30	T	A	-0.1187
31	N	A	-0.8470
32	V	A	0.5758
33	G	A	-0.6354
34	S	A	-0.7318
35	N	A	-0.9756
36	T	A	0.1997
37	Y	A	1.0106
1	K	B	-2.0879
2	C	B	-1.4172
3	N	B	-1.5006
4	T	B	-0.7739
5	A	B	0.0000
6	T	B	-0.3317
7	C	B	-0.6298
8	A	B	0.0000
9	T	B	0.0000
10	Q	B	-0.2237
11	R	B	-0.4402
12	L	B	-0.1564
13	A	B	0.0000
14	N	B	-0.3403
15	F	B	0.0000
16	L	B	0.0000
17	V	B	-1.0134
18	R	B	-1.3737
19	S	B	0.0000
20	S	B	0.0000
21	N	B	-2.3813
22	N	B	-2.2147
23	L	B	0.0000
24	G	B	-1.3625
25	P	B	-0.6236
26	V	B	-0.0042
27	L	B	1.0540
28	P	B	0.1392
29	P	B	-0.2070
30	T	B	-0.0149
31	N	B	-0.7342
32	V	B	0.7141
33	G	B	-0.4290
34	S	B	-0.5136
35	N	B	-1.0103
36	T	B	-0.3515
37	Y	B	0.3706
1	K	C	-2.1199
2	C	C	0.0000
3	N	C	-1.5718
4	T	C	-0.8026
5	A	C	0.0000
6	T	C	-0.4758
7	C	C	-0.9126
8	A	C	0.0000
9	T	C	0.0000
10	Q	C	-0.6805
11	R	C	-1.3102
12	L	C	-0.4696
13	A	C	0.0000
14	N	C	-0.3890
15	F	C	-0.6746
16	L	C	0.0000
17	V	C	-1.2056
18	R	C	-1.5093
19	S	C	0.0000
20	S	C	0.0000
21	N	C	-2.4398
22	N	C	-2.0862
23	L	C	-1.4147
24	G	C	-1.1223
25	P	C	-0.3732
26	V	C	0.1564
27	L	C	1.1873
28	P	C	-0.0098
29	P	C	-0.1420
30	T	C	-0.0688
31	N	C	-0.8076
32	V	C	0.6011
33	G	C	-0.7266
34	S	C	-0.6133
35	N	C	-1.0368
36	T	C	0.2510
37	Y	C	1.2449
1	K	D	-2.1952
2	C	D	-1.4886
3	N	D	-1.5754
4	T	D	-0.7562
5	A	D	0.0000
6	T	D	-0.3133
7	C	D	-0.6770
8	A	D	0.0000
9	T	D	0.0000
10	Q	D	-0.1145
11	R	D	-0.4106
12	L	D	-0.0970
13	A	D	0.0000
14	N	D	-0.2367
15	F	D	-0.3692
16	L	D	0.0000
17	V	D	-1.0093
18	R	D	-1.8785
19	S	D	0.0000
20	S	D	-1.4492
21	N	D	-2.4535
22	N	D	-2.4757
23	L	D	0.0000
24	G	D	-1.2678
25	P	D	-0.5125
26	V	D	-0.0192
27	L	D	1.1270
28	P	D	0.0655
29	P	D	-0.1075
30	T	D	-0.0735
31	N	D	-0.8046
32	V	D	0.6238
33	G	D	-0.5957
34	S	D	-0.6088
35	N	D	-1.0461
36	T	D	0.1995
37	Y	D	1.6221
1	K	E	-2.1794
2	C	E	-1.5289
3	N	E	-1.6207
4	T	E	-0.7907
5	A	E	0.0000
6	T	E	-0.1950
7	C	E	-0.5764
8	A	E	0.0000
9	T	E	0.0000
10	Q	E	-0.1629
11	R	E	-0.3921
12	L	E	-0.1118
13	A	E	0.0000
14	N	E	-0.2482
15	F	E	-0.3448
16	L	E	0.0000
17	V	E	-0.8831
18	R	E	-1.4734
19	S	E	0.0000
20	S	E	0.0000
21	N	E	-2.3917
22	N	E	-2.3795
23	L	E	0.0000
24	G	E	-1.3878
25	P	E	-0.7401
26	V	E	-0.0712
27	L	E	1.1462
28	P	E	0.0077
29	P	E	-0.1081
30	T	E	-0.0611
31	N	E	-0.8149
32	V	E	0.4345
33	G	E	-0.5976
34	S	E	-0.6482
35	N	E	-0.5894
36	T	E	0.6822
37	Y	E	1.1008
1	K	F	-2.0176
2	C	F	-1.4431
3	N	F	-1.4317
4	T	F	-0.7550
5	A	F	0.0000
6	T	F	-0.2660
7	C	F	-0.6889
8	A	F	0.0000
9	T	F	0.0000
10	Q	F	-0.4077
11	R	F	-0.6894
12	L	F	-0.2948
13	A	F	0.0000
14	N	F	-0.4189
15	F	F	-0.5413
16	L	F	0.0000
17	V	F	-0.9370
18	R	F	-1.3017
19	S	F	0.0000
20	S	F	-1.4361
21	N	F	-2.2504
22	N	F	-2.1814
23	L	F	-1.5406
24	G	F	-1.4170
25	P	F	-0.7655
26	V	F	-0.1583
27	L	F	1.0799
28	P	F	0.0983
29	P	F	-0.1127
30	T	F	-0.0703
31	N	F	-0.8245
32	V	F	0.6049
33	G	F	-0.6133
34	S	F	-0.7419
35	N	F	-1.0244
36	T	F	0.1052
37	Y	F	0.9823
1	K	G	-2.0790
2	C	G	-1.4221
3	N	G	-1.5028
4	T	G	-0.7590
5	A	G	0.0000
6	T	G	-0.3969
7	C	G	-0.8087
8	A	G	0.0000
9	T	G	0.0000
10	Q	G	-0.4750
11	R	G	-1.0232
12	L	G	0.0000
13	A	G	0.0000
14	N	G	-0.5182
15	F	G	-0.7426
16	L	G	0.0000
17	V	G	-1.3288
18	R	G	-1.9988
19	S	G	0.0000
20	S	G	-1.6687
21	N	G	-2.5386
22	N	G	-2.3276
23	L	G	0.0000
24	G	G	-1.2726
25	P	G	-0.5793
26	V	G	-0.0561
27	L	G	1.0301
28	P	G	0.0148
29	P	G	-0.0238
30	T	G	-0.0785
31	N	G	-0.7960
32	V	G	0.6253
33	G	G	-0.6802
34	S	G	-0.7668
35	N	G	-0.8789
36	T	G	0.3540
37	Y	G	1.7188
1	K	H	-2.1206
2	C	H	-1.6118
3	N	H	-1.5714
4	T	H	-0.7887
5	A	H	0.0000
6	T	H	-0.4693
7	C	H	-0.8971
8	A	H	0.0000
9	T	H	0.0000
10	Q	H	-0.5696
11	R	H	-1.1916
12	L	H	-0.6001
13	A	H	0.0000
14	N	H	-0.6457
15	F	H	-0.6594
16	L	H	0.0000
17	V	H	-1.2262
18	R	H	-2.0060
19	S	H	0.0000
20	S	H	0.0000
21	N	H	-2.5775
22	N	H	-2.4310
23	L	H	0.0000
24	G	H	-1.4327
25	P	H	-0.5987
26	V	H	-0.0609
27	L	H	1.2513
28	P	H	-0.0073
29	P	H	-0.1059
30	T	H	-0.1057
31	N	H	-0.7975
32	V	H	0.6247
33	G	H	-0.5530
34	S	H	-0.5848
35	N	H	-0.9612
36	T	H	0.5316
37	Y	H	1.3547