Project name: Rat IAPP_2

Chain sequence(s)	A: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; B: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY
Selected Chain(s)	A,B
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -2.0626
• Maximal score value: 1.0081
• Average score: -0.7213
• Total score value: -53.3765

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	-1.7140
2	C	A	-0.8497
3	N	A	-1.4361
4	T	A	-1.0190
5	A	A	0.0000
6	T	A	-0.8898
7	C	A	-1.0949
8	A	A	-1.2345
9	T	A	0.0000
10	Q	A	-1.8129
11	R	A	-2.0307
12	L	A	-0.7536
13	A	A	0.0000
14	N	A	-1.5445
15	F	A	0.2497
16	L	A	0.0000
17	V	A	-0.9988
18	R	A	-1.8823
19	S	A	-1.0011
20	S	A	0.0000
21	N	A	-2.0626
22	N	A	-1.6375
23	L	A	0.2463
24	G	A	-0.5962
25	P	A	-1.1640
26	V	A	0.0000
27	L	A	0.0000
28	P	A	-0.4253
29	P	A	-0.4270
30	T	A	-0.3188
31	N	A	-0.8694
32	V	A	0.6058
33	G	A	-0.6372
34	S	A	-0.8533
35	N	A	-1.1479
36	T	A	-0.2318
37	Y	A	1.0081
1	K	B	-1.7145
2	C	B	-0.8405
3	N	B	-1.4299
4	T	B	-0.9976
5	A	B	-1.1604
6	T	B	-0.8909
7	C	B	-1.0722
8	A	B	-1.3467
9	T	B	0.0000
10	Q	B	-1.7909
11	R	B	-1.9964
12	L	B	-0.7211
13	A	B	0.0000
14	N	B	-1.4777
15	F	B	0.1664
16	L	B	0.0000
17	V	B	-0.9759
18	R	B	-1.8706
19	S	B	-1.0058
20	S	B	0.0000
21	N	B	-1.8850
22	N	B	-1.6515
23	L	B	0.2338
24	G	B	-0.6230
25	P	B	-1.1685
26	V	B	0.0000
27	L	B	0.0000
28	P	B	-0.3906
29	P	B	-0.3882
30	T	B	-0.3080
31	N	B	-0.7121
32	V	B	0.5474
33	G	B	-0.5783
34	S	B	-0.5967
35	N	B	-0.6590
36	T	B	-0.2240
37	Y	B	0.6749