Project name: Rat IAPP_20

Chain sequence(s)	A: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; C: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; B: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; E: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; D: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY
Selected Chain(s)	A,C,B,E,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                                          (00:03:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:03)

• Minimal score value: -2.2638
• Maximal score value: 0.6176
• Average score: -0.7251
• Total score value: -134.1518

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	-2.1505
2	C	A	-1.7965
3	N	A	-1.8895
4	T	A	-1.2468
5	A	A	-0.7100
6	T	A	-0.9366
7	C	A	-0.9079
8	A	A	0.0000
9	T	A	0.0000
10	Q	A	-0.6750
11	R	A	-0.8571
12	L	A	0.0000
13	A	A	0.0000
14	N	A	-0.7559
15	F	A	0.0000
16	L	A	-0.5122
17	V	A	0.0000
18	R	A	-1.3261
19	S	A	0.0000
20	S	A	0.0000
21	N	A	-1.6908
22	N	A	-1.3207
23	L	A	0.5868
24	G	A	-0.0384
25	P	A	-0.2224
26	V	A	0.2252
27	L	A	-0.4175
28	P	A	-0.9915
29	P	A	-1.1517
30	T	A	0.0000
31	N	A	-1.4550
32	V	A	-0.9385
33	G	A	-1.2064
34	S	A	-1.1531
35	N	A	-1.3455
36	T	A	-0.3857
37	Y	A	0.5120
1	K	B	-1.8988
2	C	B	-1.4733
3	N	B	-1.8106
4	T	B	-0.8635
5	A	B	0.0000
6	T	B	0.0000
7	C	B	-0.6609
8	A	B	0.0000
9	T	B	0.0000
10	Q	B	-0.6571
11	R	B	-0.8263
12	L	B	0.0000
13	A	B	0.0000
14	N	B	-1.2328
15	F	B	0.0000
16	L	B	-0.8123
17	V	B	0.0000
18	R	B	-1.9594
19	S	B	0.0000
20	S	B	0.0000
21	N	B	-1.7954
22	N	B	-1.3744
23	L	B	0.5364
24	G	B	-0.0234
25	P	B	-0.5194
26	V	B	-0.3785
27	L	B	0.0000
28	P	B	-1.0898
29	P	B	-1.2611
30	T	B	-0.9808
31	N	B	-1.4506
32	V	B	-0.8463
33	G	B	-1.1423
34	S	B	-1.1725
35	N	B	-1.4089
36	T	B	-0.4439
37	Y	B	0.5076
1	K	C	-2.0184
2	C	C	-1.6866
3	N	C	-1.9499
4	T	C	-1.2242
5	A	C	0.0000
6	T	C	-0.8910
7	C	C	-1.0462
8	A	C	0.0000
9	T	C	0.0000
10	Q	C	-0.4177
11	R	C	-0.8310
12	L	C	0.0000
13	A	C	0.0000
14	N	C	-0.5782
15	F	C	0.0000
16	L	C	-0.4690
17	V	C	0.0000
18	R	C	-1.3958
19	S	C	-0.7933
20	S	C	0.0000
21	N	C	-1.4475
22	N	C	-1.2107
23	L	C	0.6176
24	G	C	-0.0708
25	P	C	-0.3372
26	V	C	-0.0446
27	L	C	0.0000
28	P	C	-1.0389
29	P	C	-0.9472
30	T	C	-1.0864
31	N	C	-1.3377
32	V	C	-0.8556
33	G	C	-1.1545
34	S	C	-1.3021
35	N	C	-1.3595
36	T	C	-0.3848
37	Y	C	0.5254
1	K	D	-2.0129
2	C	D	-1.7729
3	N	D	-1.9515
4	T	D	-1.2198
5	A	D	0.0000
6	T	D	-0.9595
7	C	D	-0.9192
8	A	D	0.0000
9	T	D	0.0000
10	Q	D	-0.8844
11	R	D	-1.0564
12	L	D	0.0000
13	A	D	0.0000
14	N	D	-1.4289
15	F	D	0.0000
16	L	D	-0.6250
17	V	D	-1.3527
18	R	D	-1.7242
19	S	D	0.0000
20	S	D	0.0000
21	N	D	-1.7974
22	N	D	-1.2245
23	L	D	0.6124
24	G	D	-0.1907
25	P	D	-0.6691
26	V	D	-0.3487
27	L	D	0.0000
28	P	D	-1.0743
29	P	D	-1.2467
30	T	D	-1.1011
31	N	D	-1.6239
32	V	D	-1.1709
33	G	D	-1.3743
34	S	D	-1.5723
35	N	D	-1.7515
36	T	D	-0.6540
37	Y	D	0.5933
1	K	E	-1.9384
2	C	E	-1.6878
3	N	E	-1.9236
4	T	E	-0.9591
5	A	E	0.0000
6	T	E	-0.8960
7	C	E	-0.7090
8	A	E	0.0000
9	T	E	0.0000
10	Q	E	-0.6410
11	R	E	-0.8809
12	L	E	0.0000
13	A	E	0.0000
14	N	E	-1.4568
15	F	E	0.0000
16	L	E	-0.8110
17	V	E	-1.4772
18	R	E	-2.2638
19	S	E	0.0000
20	S	E	0.0000
21	N	E	-1.8648
22	N	E	-1.3830
23	L	E	0.5984
24	G	E	-0.0823
25	P	E	-0.2786
26	V	E	0.1118
27	L	E	-0.5011
28	P	E	-1.0515
29	P	E	-1.3565
30	T	E	-1.1968
31	N	E	-1.5145
32	V	E	-1.1279
33	G	E	-1.2718
34	S	E	-1.3126
35	N	E	-1.3553
36	T	E	-0.4293
37	Y	E	0.5411