Project name: Rat IAPP_4

Chain sequence(s)	A: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; C: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; B: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; D: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY
Selected Chain(s)	A,C,B,D
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                                          (00:02:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:04)

• Minimal score value: -2.8562
• Maximal score value: 0.5443
• Average score: -0.7734
• Total score value: -114.4701

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	-1.6272
2	C	A	-1.2260
3	N	A	-1.3955
4	T	A	-1.0122
5	A	A	0.0000
6	T	A	-0.9143
7	C	A	-0.7783
8	A	A	0.0000
9	T	A	0.0000
10	Q	A	-0.9361
11	R	A	-1.4584
12	L	A	0.0000
13	A	A	0.0000
14	N	A	-2.3555
15	F	A	0.0000
16	L	A	0.0000
17	V	A	0.0000
18	R	A	-2.8562
19	S	A	0.0000
20	S	A	0.0000
21	N	A	-2.1892
22	N	A	-1.5904
23	L	A	0.4061
24	G	A	-0.2356
25	P	A	-0.7539
26	V	A	-0.3731
27	L	A	0.0000
28	P	A	-1.1578
29	P	A	-1.6198
30	T	A	-1.6397
31	N	A	-1.9343
32	V	A	-1.4070
33	G	A	-1.3930
34	S	A	-1.0896
35	N	A	-1.4329
36	T	A	-0.3691
37	Y	A	0.1711
1	K	B	-1.6821
2	C	B	-1.1660
3	N	B	-1.6594
4	T	B	-1.1131
5	A	B	0.0000
6	T	B	-0.9003
7	C	B	-0.8058
8	A	B	0.0000
9	T	B	0.0000
10	Q	B	-0.8338
11	R	B	-1.3947
12	L	B	0.0000
13	A	B	0.0000
14	N	B	-1.7110
15	F	B	0.0000
16	L	B	0.0000
17	V	B	-1.7964
18	R	B	-2.3566
19	S	B	0.0000
20	S	B	0.0000
21	N	B	-1.9820
22	N	B	-1.4526
23	L	B	0.4854
24	G	B	-0.2005
25	P	B	-0.6782
26	V	B	-0.3067
27	L	B	0.0000
28	P	B	-1.0847
29	P	B	-1.3000
30	T	B	-1.3778
31	N	B	-1.5236
32	V	B	-1.0556
33	G	B	-1.1095
34	S	B	-0.9490
35	N	B	-1.1978
36	T	B	-0.2536
37	Y	B	0.3142
1	K	C	-1.6026
2	C	C	-1.2712
3	N	C	-1.4116
4	T	C	-0.9665
5	A	C	0.0000
6	T	C	-0.9888
7	C	C	-0.8229
8	A	C	0.0000
9	T	C	0.0000
10	Q	C	-0.7825
11	R	C	-1.1125
12	L	C	0.0000
13	A	C	0.0000
14	N	C	-1.5118
15	F	C	0.0000
16	L	C	0.0000
17	V	C	0.0000
18	R	C	-2.5647
19	S	C	0.0000
20	S	C	0.0000
21	N	C	-2.1428
22	N	C	-1.5847
23	L	C	0.4319
24	G	C	-0.1571
25	P	C	-0.6571
26	V	C	-0.1548
27	L	C	-0.8629
28	P	C	-0.9830
29	P	C	-1.3651
30	T	C	0.0000
31	N	C	-1.5369
32	V	C	-1.1284
33	G	C	-1.2339
34	S	C	-1.2748
35	N	C	-1.4979
36	T	C	-0.3132
37	Y	C	0.5443
1	K	D	-1.5620
2	C	D	-1.2515
3	N	D	-1.5145
4	T	D	-0.9844
5	A	D	0.0000
6	T	D	-1.0088
7	C	D	-0.9606
8	A	D	0.0000
9	T	D	0.0000
10	Q	D	-0.9627
11	R	D	-1.5229
12	L	D	0.0000
13	A	D	0.0000
14	N	D	-1.3023
15	F	D	0.0000
16	L	D	0.0000
17	V	D	0.0000
18	R	D	-2.3053
19	S	D	0.0000
20	S	D	0.0000
21	N	D	-2.0783
22	N	D	-1.5102
23	L	D	0.4446
24	G	D	-0.0686
25	P	D	-0.7471
26	V	D	-0.4191
27	L	D	0.0000
28	P	D	-1.1613
29	P	D	-1.2999
30	T	D	-1.1508
31	N	D	-1.5889
32	V	D	-1.0498
33	G	D	-1.0464
34	S	D	-0.9765
35	N	D	-1.1908
36	T	D	-0.2552
37	Y	D	0.2138