Project name: 996d7177d52b925

Chain sequence(s)	A: ATLEKLMKAFESLKSFQQQQQQQ; C: ATLEKLMKAFESLKSFQQQQQQQ; B: ATLEKLMKAFESLKSFQQQQQQQ; D: ATLEKLMKAFESLKSFQQQQQQQ
Selected Chain(s)	A,C,B,D
Distance of aggregation	10 Å
FoldX usage	No
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)

• Minimal score value: -3.1515
• Maximal score value: 0.0
• Average score: -1.7247
• Total score value: -158.6767

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	A	A	-0.6282
2	T	A	-0.8852
3	L	A	-0.8860
4	E	A	-2.3007
5	K	A	-2.6591
6	L	A	0.0000
7	M	A	-1.9620
8	K	A	-3.1515
9	A	A	0.0000
10	F	A	-1.8136
11	E	A	-2.8304
12	S	A	-2.3169
13	L	A	0.0000
14	K	A	-2.1794
15	S	A	-1.6497
16	F	A	0.0000
17	Q	A	-1.5901
18	Q	A	-2.5897
19	Q	A	-2.3366
20	Q	A	-2.0575
21	Q	A	-2.7461
22	Q	A	-2.8844
23	Q	A	-2.5086
1	A	B	-0.6147
2	T	B	-0.8658
3	L	B	-0.8786
4	E	B	-2.2667
5	K	B	-2.5762
6	L	B	0.0000
7	M	B	-1.9216
8	K	B	-3.0361
9	A	B	0.0000
10	F	B	-1.7914
11	E	B	-2.8009
12	S	B	-2.2183
13	L	B	0.0000
14	K	B	-2.0089
15	S	B	-1.6589
16	F	B	0.0000
17	Q	B	-1.5894
18	Q	B	-2.5848
19	Q	B	-2.3234
20	Q	B	-2.0479
21	Q	B	-2.7444
22	Q	B	-2.8798
23	Q	B	-2.5040
1	A	C	-0.6197
2	T	C	-0.8786
3	L	C	-0.9036
4	E	C	-2.2856
5	K	C	-2.5989
6	L	C	0.0000
7	M	C	-1.9428
8	K	C	-3.0492
9	A	C	0.0000
10	F	C	-1.9801
11	E	C	-2.8198
12	S	C	-2.3160
13	L	C	0.0000
14	K	C	-2.0194
15	S	C	-1.6515
16	F	C	0.0000
17	Q	C	-1.5960
18	Q	C	-2.5925
19	Q	C	-2.3315
20	Q	C	-2.0549
21	Q	C	-2.7466
22	Q	C	-2.8818
23	Q	C	-2.5058
1	A	D	-0.6039
2	T	D	-0.8512
3	L	D	-0.8603
4	E	D	-2.2510
5	K	D	-2.5490
6	L	D	0.0000
7	M	D	-1.9128
8	K	D	-3.1057
9	A	D	0.0000
10	F	D	-1.7892
11	E	D	-2.8133
12	S	D	-2.3191
13	L	D	0.0000
14	K	D	-2.1822
15	S	D	-1.6516
16	F	D	0.0000
17	Q	D	-1.5905
18	Q	D	-2.5933
19	Q	D	-2.3392
20	Q	D	-2.0589
21	Q	D	-2.7484
22	Q	D	-2.8864
23	Q	D	-2.5089