Project name: 10849eaa17f33ae

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.                                          (00:00:43)

• Minimal score value: -1.9222
• Maximal score value: 2.3961
• Average score: -0.3588
• Total score value: -26.5523

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	-1.9145
2	C	A	-1.3517
3	N	A	-1.5272
4	T	A	-1.0821
5	A	A	-0.9581
6	T	A	-0.9405
7	C	A	-0.5310
8	A	A	-0.5992
9	T	A	-0.6228
10	Q	A	-1.0570
11	R	A	-1.1744
12	L	A	0.6194
13	A	A	0.0000
14	N	A	-0.5891
15	F	A	0.9947
16	L	A	0.7822
17	V	A	-0.7323
18	R	A	-1.4530
19	S	A	-0.9462
20	S	A	-1.2586
21	N	A	-1.8041
22	N	A	-1.7204
23	L	A	0.3967
24	G	A	0.3467
25	P	A	0.9724
26	V	A	2.3961
27	L	A	2.0734
28	P	A	0.5936
29	P	A	0.0344
30	T	A	-0.3001
31	N	A	-0.6456
32	V	A	0.8329
33	G	A	-0.4838
34	S	A	-0.7486
35	N	A	-1.5117
36	T	A	-0.1509
37	Y	A	0.9654
1	K	B	-1.9140
2	C	B	-1.3555
3	N	B	-1.5289
4	T	B	-1.0784
5	A	B	-0.9559
6	T	B	-0.9490
7	C	B	-0.5690
8	A	B	-0.6062
9	T	B	-0.6171
10	Q	B	-1.1161
11	R	B	-1.1725
12	L	B	0.6935
13	A	B	0.0000
14	N	B	-0.5228
15	F	B	1.0285
16	L	B	0.7880
17	V	B	-0.7323
18	R	B	-1.4800
19	S	B	-0.9738
20	S	B	-1.2796
21	N	B	-1.9222
22	N	B	-1.8018
23	L	B	0.2937
24	G	B	0.2906
25	P	B	0.9520
26	V	B	2.3862
27	L	B	2.0728
28	P	B	0.5936
29	P	B	0.0348
30	T	B	-0.2552
31	N	B	-0.6453
32	V	B	0.8335
33	G	B	-0.3434
34	S	B	-0.7270
35	N	B	-1.5556
36	T	B	-0.2895
37	Y	B	0.9666